SOLTHERM.XPT v.66.2023.03.02 Thermodynamic and related data for programs CHIM-XPT, SOLVEQ, GEOCAL XPT-LogK, and SOLPRINT SOLTHERM contains in order of appearance: - A verbose header not read by software, where the version number is v.number of basis components.date of last modification - Extended Debye-Hückel equation parameters A-gamma, B-gamma, BI-NaCl, and BIL - Water enthalpy data for computing final temperature where mixing waters hot with cold - Basis component species data: charge, ion size parameter, mol.wt, and alkalinity All derived aqueous species, minerals, and gases are a linear combination of these - Seemingly endless tables of base 10 logs of equilibrium constants (log Ks) for derived aqueous species - Miscellaneous liquid-vapor saturation log Ks for aqueous species from many sources - Virial equation cross-coefficients for computing fugacity in gas mixtures - Log Ks and fugacity virial equation coefficients for gases. Gases in that data block must appear first and be in the proper order for proper computation of fugacity coefficients for mixtures that contain them: H2O, CO2, CH4, H2, H2S - Log Ks for gas fugacity buffers: fO2-0.7, fCO2-3.5, fCO2-3.0, fCO2,1bar20C - Log Ks for minerals - Holland and Powell, 2011 - Miscellaneous non-REE minerals from several sources - Miscellaneous REE-bearing minerals from several sources - Items related to the portland cement morass, including nitrates - Non-silicates from Shock07 - Mineral solid solutions of fixed composition - Plagioclase: an20ab80, an25ab75, an30ab70 - Amphibole: trem.625act.25parg.125 - F-M-Q mineral oxygen fugacity buffers - Miscellaneous liquid-vapor saturation log Ks for items from many sources ______________________________ This file includes redox species in two forms: one expressed in terms of the sulfate-bisulfide pair and a second expressed in terms of the O2-H2O pair. E.g. AgHS,aq can be expressed in terms of Ag+, SO4=, O2, and H+; galena can be expressed in terms of Pb++, O2, and SO4; Cu++ can be expressed in terms of Cu+, O2, H2O, and H+, etc. The user must choose which pair before starting, i.e. must choose either species 6, sulfide, or species 31, O2. Using both will generate an error. For aq. species, gases and minerals: in each record the first line contains the name, the second line contains some properties and the reference, and the third line contains the stoichiometry. This is followed by a block of log K's, 37 lines and 36 rows on an irregular P-T grid at P's and T's outlined above. Gases H2O, CO2, CH4, H2 and H2S have an additional line for virial equation coefficients. ______________________________ The following solid solution indices are currently in use: clinochlore/daphnite/Mn-clclr: 1 proustite/pyrargyrite: 11 tremolite/actinolite: 2 tennantite/tetrahedrite: 12 clinozoisite/epidote: 3 pearceite/polybasite: 13 muscovite/paragonite: 4<-break magnetite/trevorite: 14 diopside/hedenbergite: 5 annite/phlogo/Mn-biotite: 15 gases: 6 almandine/pyrope/spess: 16 talc/Fe-talc: 7 dravite/schorl: 17 andradite/grossular: 8 iron/nickel: 9 gold/silver(electrum): 10 All solid solutions are treated as ideal, except Au/Ag (electrum). If the index for a particular mineral is set to zero or blank, then solid solution is ignored. ______________________________ Regarding Log Ks computed by SUPCRT: Log Ks in SOLTHERM are computed mostly using SUPCRT96, derived from SUPCRT92. SUPCRT96 is backwards compatible with all properly formatted datasets using the original Maier-Kelly heat capacity regression equation, but also adding Holland and Powell (1998) heat capacity Cp = a + b T + c T^-2 + d T^-0.5 There are currently two local thermodynamic datasets for SUPCRT96 SLOP07.dat from E.Shock, with only one modification, addition of aqueous H4SiO4 from Stefánsson, A. (2001), for improved silicate mineral log Ks at low T. SPRONSHP which contains all aqueous species in SLOP07.dat, all minerals from Holland and Powell (2011), and all other added aqueous species and minerals from miscellaneous sources. Log Ks computed with SUPCRT96 data have a rectangular logK(P,T) P-T grid computed with SUPCRT96 (T in deg C horizontal, P in bar vertical): T = 0.01, 25, 50, 75, 100, 125, 150, 175, 200, 225, 250, 275, 300, 325, 350, (L-V) 400, 410, 420, 430, 440, 450, 460, 470, 480, 490, 500, 510, 520, 530, 540, 550, 560, 570, 580, 590, 600 P = 1.000, 1.0133, 2.321, 4.758, 8.919, 15.537, 25.479, 39.737, 59.432, 85.839, 120.458, 165.212, (L-V saturation) 200, 250, 300, 350, 400, 450, 500, 550, 600, 650, 700, 750, 800, 850, 900, 950, 1000, 1500, 2000, 2500, 3000, 3500, 4000, 4500, 5000 Log Ks that are limited to the H2O liquid-vapor saturation curve show log Ks at temperatures of: 25, 50, 100, 150, 200, 250, 300, 350. Where data are absent, log Ks, Debye-Huckel coefficients, and H2O enthalpy are expressed as 99999.999. Data are always absent in the steam phase region, or where water density is less than the 0.35 g/cc isochore at higher T and P beyond the critical point. Where the user restricts the calculations to T and P of liquid-vapor saturation, CHIM-xpt or SOLVEQ-xpt read ALL of the data records (both high P-T, and L-V-only data). These programs then use the data only at the P and T of L-V saturation. Where the user specifies the high P and T option, the programs read only the full P-T grid data records. In either case where P and T are not on the grid coordinates specified above, the software interpolates (or extrapolates, within limits) as needed using quadratic interpolation. ______________________________ Modification notes: 1996-2015: Three replacements of the basic, core mineral set. The original Supcrt92 minerals replaced in 1996 with Holland and Powell (1990), in 1998 with Holland and Powell (1998), and in 2015 with Holland and Powell (2011): Holland, T.J.B., and Powell, R., 2011. An improved and extended internally consistent thermodynamic dataset for phases of petrological interest, involving a new equation of state for solids. J. Metamorph. Geol. 29, 333-383. 2006: SOLVEQ-XPT, CHIM-XPT, GEOCAL-XPT, MINTAB, SOLPRINT, and SOLTHERM revised to allow calculations from 0.1 to 600 °C and from 1 to 5k bar. 2006: DG, DH, S data for bornite, chalcocite, and covellite from Shock/slop98 replaced in SUPCRT with slightly more stable data from RSH94 and Sack00. 2006: Data for Ag, As, Hg, and Sb from Bess05, and for Se species and minerals from Xi '03, full grid. For XI03 only antimonselite is full grid; others are l-v only 2008: Basic SUPCRT92 data SLOP98.dat replaced with updated data from E. Shock et al., available at: http://geopig.asu.edu/sites/default/files/slop07.dat. Data are identical in SLOP98.dat and SLOP07.dat except for the addition of minerals goethite, molybdenite, selenium, and iron, and added aqueous HMoO4- and updated CO2,aqueous. Other changes in Shock07 relative to Shock98 are the addition of dissolved aqueous organic and organometallic compounds that not currently included in Soltherm 2014-Apr-18. Add placeholder value for mol. wt. to all gas fugacity buffers to avoid log(0) error. Sept-10. Add NH3,aq! component #48, and derived NH4+ and NH4Ac to go with it. Oct. 15. Array dimensions in all applications expanded to allow up to 70 component species and 500 component plus derived species, for addition of REE components. Oct-21. Compute log K's for REE aqueous species in slop07.dat; all inorganic and acetate complexes. These Supcrt data are from Haas, J.R., Shock, E.L., and Sassani, D.C., 1995. Rare earth elements in hydrothermal systems: Estimates of standard partial molal thermodynamic properties of aqueous complexes of the rare earth elements at high pressures and temperatures. GCA 59, 4329-4350. These records are referenced at Shock07 and are present in that dataset. Nov-03. Add REE element and oxide data from RHF78 to SUPCRT96 and compute log K's Dec-12. Add REE sulfate complexes log K's directly from Migdisov08. NdSO4+, Nd(SO4)2-, SmSO4+, Sm(SO4)2-, ErSO4+, and Er(SO4)2-. These data are restricted to L-V saturation, and thus log K's are copied to higher pressure to permit computation at conditions off of the liquid-vapor saturation curve, within reason. Remove mono-sulfate duplicates from Haas et al. 1995. 2015-Jan-09. Add REE halide complex EOS parameters from Migdisov09 to SUPCRT96 and compute log K's. LaF2+, CeF2+, PrF2+, NdF2+, SmF2+, EuF2+, GdF2+, TbF2+, DyF2+, HoF2+, ErF2+, TmF2+, YbF2+, LuF2+, LaCl2+, CeCl2+, PrCl2+, NdCl2+, SmCl2+, EuCl2+, GdCl2+, TbCl2+, DyCl2+, HoCl2+, ErCl2+, TmCl2+, YbCl2+, LuCl2+, LaCl+2, CeCl+2, PrCl+2, NdCl+2, SmCl+2, EuCl+2, GdCl+2, TbCl+2, DyCl+2, HoCl+2, ErCl+2, TmCl+2, YbCl+2, LuCl+2. Remove duplicates from Haas et al. 1995. Jan-20. Add Monazite-La and dissakisite-La [CaLaMgAl2(SiO4)3OH, epidote analog] from Janots07 to SUPCRT96 database and compute log K's. Feb-08: Replace Ce, and ceriantie data from RHF78 with those from RH95; differences are minimal. All other REE minerals NOT carried from RHF78 to RH95. Feb-16: Add REE hydroxide mineral data to SUPCRT96 spronsHP; REE(OH)3(s). La and Nd from Diak98b, Y, Pr, Eu, Gd, Tb, and Ho from Diak98a; V calculated from Milligan et al. J.Appl.Cryst (1979) 12, 411-412. For Ce, Sm, Dy, Er, Tm, and Yb, DG, DH, and S are given, but heat capacity coefficients are absent so these were not added. Mar-5: Interpolate REE mono- and di-sulfide species log K's from Migdisov08. EuSO4+, Eu(SO4)2-, GdSO4+, Gd(SO4)2-, TbSO4+, Tb(SO4)2-, DySO4+, Dy(SO4)2-, HoSO4+, Ho(SO4)2-. Extrapolated: LaSO4+, La(SO4)2-, CeSO4+, Ce(SO4)2-, PrSO4+, Pr(SO4)2-, TmSO4+, Tm(SO4)2-, YbSO4+, Yb(SO4)2-, LuSO4+, Lu(SO4)2-. Remove duplicates from Haas et al. 1995. Apr-29: Add La-, Ce-, Pr-, Nd-, Sm-, Eu-, Gd-florencite, REE(Al)3(PO4)2(OH)6, at 25 only. Computed from Delta G(f) in Gaboreau04, and aqueous species data from SUPCRT. May-18: Add La, Nd, Gd, and Yb aqs. mono-acetate from Ding and Wood, 2002 (Ding2002. These log K data are quite similar among the 4 REE to one another at all T. Therefore we use the data for Gd(Ac)+2 as a proxy for Ce, Pr, Sm, Eu, Tb, Dy, Ho, Er, Tm, and Lu mono-acetate. Remove duplicates from Haas et al. 1995. Sept 31: Add data for apatite-Ce, monazite-Ce, and allanite [CaCeFeAl2(SiO4)3OH,] epidote analog from Spear10 to SUPCRT96 SpronsHP and compute logK's. Oct 31: Add data for apatite-Y-F, apatite-Ce-F, monazite-Y, xenotime from S&P2010 to SUPCRT96 SpronsHP and compute logK's. 2016-June-22: Add bastnäsite-Ce and parisite-Ce from Gysi15 to SUPCRT96 SpronsHP and compute logK's. Aug 04: Add La- and Ce-monazite, and Yb- and Lu-xenotime from MGC2016 to SUPCRT96 SpronsHP and compute logK's. Sep 08: Add Pr-, Nd-, Sm-, Eu-, and Gd-monazite, and Tb-, Dy-, Er-, and Y-xenotime from MGC2016 to SUPCRT96 SpronsHP and compute logK's. Oct 18: Replace Holland & Powell 1998 (Holl&P98) data with those from 2011 (H&P2011). Add Ti(OH4),aq from Stef01 to SpronsHP and compute log K's for ilmenite, geikielite, pyrophanite, rutile, sphene, and ulvospinel from H&P2011. 2017-April-07: Add phosphate complexes except U. Ref: KH88 Apr 21: Add apatite-OH, apatite-F, and apatite-Cl from ZS91, with "-zs" appended to their names. Keep apatite-OH and apatite-F from RH95, and for which the reference is uncertain and limited to L-V saturation, apatite-Cl. Ref: ZS91 Sep 27: Add Eu-complex data. Average logK of Ca, Sr complexes. Ref: Liu2017 2018-August-09: Fix citations for several items. Fix erroneous sapphirine minerals. Move items with citations still missing to the section of side-lined data at the end of the file. Aug 21: Add missing pyrrhotite Fe0.875S from Holland and Powell 2011. Aug 27: Change sign of Na+ and K+ stoichiometry coefficients for kf-ab-equil, so logQ/K(kf-ab-equil) = 0 where both logQ/K(albite) = 0 and logQ/K(microcline) = 0. Sep 25: Fix record for NiOH3, change logK @ 350C from 500. to 99999.999. 2019-January-24: Add Li+ as component 66, and derived species complexes already in Supcrt: LiCl, LiOH, Li(acetate), Li(acetate)2-, Li(oxalate)-, Li(malonate)-, Li(succinate). Add data for tourmaline endmembers dravite, schorl, foitite-Mg, and uvite, and Li-bearing elbaite and liddicoatite to SpronsHP, and compute logK's. Tourmaline enthalpies were adjusted (all by <1540 J) to be slightly less stable, and consistent with data from Holland and Powell. Ref: Ogor12 Jan 31: Add akaganeite FeOOH. Ref: akg2011. 2020-February-11: Add gibbsite from TU14 to Supcrt and compute log K's, replacing that from from MA07. MA07 and Shock07 records sidelined near the end of file. Mar 12: Fix Sucrt96/Cprons96 error - misread of enthalpy of phase transition, as transition temperature. Affected only Shock minerals having one or more phase transitions: acanthite, bornite, chalcocite, chalcopyrite, quicksilver, sesquehonite, selenium, and tin. 2021-October-25: Add Na-borate minerals. Ref: LSR08. 2022-June-22: More careful documentation of component species. 2023-March-01: Correct logK sign error for FMQ-1 fugacity buffers. ______________________________ SOURCES OF DATA -DEBYE-HÜCKEL EQUATION PARAMETERS A and B: Helgeson, H.C., Kirkham, D.H., 1974. Theoretical prediction of the thermodynamic behavior of aqueous electrolytes at high pressures and temperatures: II. Debye-Hückel parameters for activity coefficients and relative partial molal properties. Am. J. Sci. 274, 1199-1261. B-hat and b-il: Helgeson, H.C., Kirkham, D.H., Flowers, G.C., 1981. Theoretical prediction of the thermodynamic behavior of aqueous electrolytes at high pressures and temperatures: IV. Calculation of activity coefficients, osmotic coefficients, and apparent molal and standard and relative partial molal properties to 600°C and 5kb. Am. J. Sci. 281, 1249-1516. -WATER ENTAHLPY Computed with SUPCRT92/SPCRT96: Johnson, J.W., Oelkers, E.H., Helgeson, H.C., 1992. SUPCRT92: A software package for calculating the standard molal thermodynamic properties of minerals, gases, aqueous species, and reactions from 1 to 5000 bar and 0 to 1000°C. Comput. Geosci. 7, 899-947. -COMPLEXES For some Log Ks at liquid-vapor saturation conditions only, and where the data sources did not cover the desired temperature range, log(K) values were extrapolated using an isocoulombic method or using the equation of Helgeson, 1967, J.Phys.Chem. 71, 3121-3136 (which requires knowledge of either H and S, or log(K) at two different temperatures). Where the data covered all the temperature range, interpolation at integral values of temperature was made by least squares curve fit of the data. BA79:GEOCHEM. OF HYDR. ORE DEPOSITS, EDITOR H.L.BARNES,2ND ED., WILEY 1979 A EXTRAPOLATED FROM DATA IN BA79, CORRECTED FOR PRESSURE AND IONIC STR. AND 25 C VALUES IN WEBSTER, 1986, GEOCH.COSM.ACTA,50, 1837-1845 B BA79, BUT AVERAGE VALUE OF DATA FROM ALL GIVEN (INCONSISTENT) REACTIONS C BA79, IGNORING VALUE AT 277 AND 353 C, AND WITH 300 C VALUE OF ZOTOV ET AL, 1986, GEOCH.INT. 23/3, 23-33 BI89:Barin,I., ed., 1989, Thermochemical data of pure substances, 1739pp. VCH Weinheim. BO83:BOURCIER, 1983, PH.D.THESIS, PENN. STATE. U. BO86:BOURCIER & BARNES, 1986, PREPRINT: ORE SOLUTION CHEM. VII. STABILITIES OF CHLORIDE COMPLEXES OF ZINC TO 350 C., SUBMITTED TO ECON. GEOL. BO88:BOURCIER IRON CHLORIDE DATA. PERS. COMM. REHASH OF CRERAR EXPERIMENTAL DATA. BU86:BUSENBERG AND PLUMMER, 1986, GCA,50,2225-2233. Extrapolated above 100 C by isocoulombic method by using Calcium analogs. jdd & mr 91 BS78:BISCHOFF & SEYFRIED, 1978, AM. J. SCI., 278, 838-860, (SIEBERT AND CHRIST, WRITTEN COMMUN., MAY 1977) ALSO SIEBERT AND HOSTETLER, 1977, AJS,277,697-734 Ding2002: Ding, R., Wood, S.A., 2002. The aqueous geochemistry of the rare earth elements and yttrium. Part X. Potentiometric determination of stability constants of acetate complexes of La3+, Nd3+, Gd3+, and Yb3+ at 25-70 °C and 1 bar, in: Hellman, R., Wood, S.A. (Eds.), Water-Rock Interactions, Ore Deposits, and Environmental Geochemistry: A Tribute to David A Crerar. The Geochemical Society, Special Publication No.7. The Geochemical Society, St. Louis, Mo. EG71:ELLIS & GIGGENBACH, 1971, GCA, 45, 2201-2212. GK94:Giordano, T.H. & Kharaka, Y.K.,1994. Organic Ligand distribution and speciation in sedimentary basin brines, diagenetic fluids and related ore solutions. from Parnell, J. Geofluids: Origin, Migration and Evolution of Fluids in Sedimentary Basins. HC88: HENNET, R.J.C, CRERAR, D.A., & SCHWARTZ, J., 1988, ECONOMIC GEOLOGY V. 83, 742-764 with graphical extrapolations (Reed) of PbAc3-, CaOxal=, ZnAc3-, ZnAc2, ZnOH, PbOH and NaAc. HH69:HELGESON, 1969, AM. J. SCI., 267,729-804. HL84B:HENLEY, 1984, REVIEWS IN ECONOMIC GEOLOGY VOL. 1, P90 IL95:Personal communication, Robert Ilchik, U. Arizona, compilation and message using G(298) from Kashkay, et al, 1975 (Geochem. Internat., 12, 115-121); estimated entropy, estimated Cp. Ilchik cautions users about entropy value. IS94:Daizo Ishiyama, Manuscript, 1994, submitted to Econ Geol. IZ69:EXTRAPOLATED FROM IZATT ET AL, 1969, J.CHEM.SOC.(A) 47. Reextrapolated using the isocoulombic method against ZnSO4 KB73:KARAKA & BARNES, 1973, NTIS, U.S.DEPT COMMERCE, PB215 899,92P. KH88: Kharaka et al. 1988. SOLMINEQ.88: A computer program for geochemical modeling of water-rock interactions. USGS Water-Resources Investigations Report 88-4227 Knauss01:Knauss, K.G., Dibley, M.J., Bourcier, W.L., Shaw, H.F., 2001. Ti(IV) hydrolysis constants derived from rutile solubility measurements made from 100 to 300°C. Appl. Geochem. 16, 1115-1128. LA70:EXTRAPOLATED FROM DATA OF LARSON, 1970, J.PHYS.CHEM. 74, 3392 Liu2017: Liu, Weihua et al. (2017) Revisiting the hydrothermal geochemistry of europium(II/III) in light of new in-situ XAS spectroscopy results. Chemical Geology 459, 61–74. Average of analagous Ca, Sr complexes, EuCO3, Eu(HCO3)+, EuCl+, EuF+, EuOH+ LSR08 ... Ruhl L. S. (2008) Thermodynamics of 1:2 Sodium Borate Minerals. Masters thesis. University of Florida. MA67:MARSHALL, 1967, J.PHYS.CHEM. 71, 3584 Migdisov08: Migdisov, A.A., Williams-Jones, A.E., 2008. A spectrophotometric study of Nd(III), Sm(III) and Er(III) complexation in sulfate-bearing solutions at elevated temperatures. GCA 72, 5291-5303. These records show "Migdisov08" as the data source. Migdisov09: Migdisov, A.A., Williams-Jones, A.E., Wagner, T., 2009. An experimental study of the solubility and speciation of the REE (III) in fluoride- and chloride-bearing aqueous solutions at temperatures up to 300 °C. GCA 73, 7087–7109. MigInt08: EuSO4+, Eu(SO4)2-, GdSO4+, Gd(SO4)2-, TbSO4+, Tb(SO4)2-, DySO4+, Dy(SO4)2-, HoSO4+, Ho(SO4)2- interpolated from Migdisov08. LaSO4+, La(SO4)2-, CeSO4+, Ce(SO4)2-, PrSO4+, Pr(SO4)2-, TmSO4+, Tm(SO4)2-, YbSO4+, Yb(SO4)2-, LuSO4+, Lu(SO4)2-, extrapolated. MW88:Mountain, B., Wood, S., 1988, ECONOMIC GEOLOGY, 83, 492-510. PH88: Phillips, S.L., Hale, F.V., Silvester,L.F. Siegel,M.D., 1988. Thermodynamic Tables for Nuclear Waste Isolation: Aqueous Solutions Database. LBL. High temperature extrapolations based upon constant heat capacity. Pkr15: Pokrovski, G. S. and J. Dubessy (2015). Stability and abundance of the trisulfur radical ion S3- in hydrothermal fluids." Earth and Planetary Science Letters 411, 298-309. HKF EOS parameters added to both slop07.dat and spronshp.dat. PW94:Pan & Wood, 1994, MINERALIUM DEPOSITA, 29, 309-317, 373-390, Data modified using supercritical data from BI89. Shock07:From E.Shock's most current supcrt data available at: http://geopig.asu.edu/sites/default/files/slop07.dat Add molybdenite, goethite, iron, and selenium as minerals, and HMoO4- and updated CO2,aq aquoues species. SEE MODIFICATION NOTES ABOVE. Equilibrium constants calculated with SUPCRT96 modified from SUPCRT92, in Johnson J.W., Oelkers, E.H., and Helgeson, H.C., 1992, Computers and Geosciences, v18 pp 899-947. SK93:Shock,E.L. and Koretsky,C.M., GCA 59,1497-1532 SM64:Extrapolated from data in Sillen & Martel, 1964 SM76:Extrapolated from data in Smith & Martel, 1976 SR89b,SR89c:Spycher and Reed, 1989, Econ. Geol., 84, 328-359. Appendix and references therein: SR89b: As, Sb oxyacid and acid species, especially referneces Sergeyeva and Khodakovskyi, 1969, GEOCH.INT, 6, 681-694 (As) and Popova, et al, 1975, Geokhimiia, 6, 835-843. SR89c:Hg, Au, Ag aqueous species and solids and gases of As, Sb, Hg, Cu, and others. SW76:Terry Seward, 1976, GCA, 40, 1329-1341. Stef01:Stefansson, Andri, 2001, Chem. Geol. 172, 225-250. Data for H4SiO4 therein were added to Shock07 aqueous species data. Log K's for all silicate minerals were re-computed using these data. Note that *almost* all silicate minerals recomputed for the full P-T grid are from Holland and Powell (2011) A notable exception would be the cement mineral data from MA07. TL80B:Tremaine, P.R. and LeBlanc, J.C. (1980) The solubility of nickel oxide and hydrolysis of Ni++ in water to 573 K. Journal of Chemical Thermodynamics, v. 12, pp 521-538. WM92A:Wood, Mountain, & Pan, 1992, CAN. MIN., 30, 955-982.Data at 25 C extrapolated by method in Gu, Y.,Gammons, C., & Bloom, M., 1994, GCAEOCHIM. et COSMO. ACTA, 58, 3545-3560. WO78:WOLERY, 1978, DATA FROM DEQPAK5 DATA SET. WO82:FROM DATA FILE SET DEQPAK10, OF WOLERY; CONTAINS SUPPORTING DATA FOR PROGRAMS EQ3 & EQ6 (DEC 88 NOTE: PLUMLEE FINDS PROBLEMS WITH HF AND AL-F COMPLEXES BEING TOO STABLE IN CREEDE MODEL WATERS. NEED RE-EVALUATION OF F- COMPLEXES IN GENERAL) WO90:EQ3/6 database from Bill Borcier, LLNL, 1990. Data for U-bearing aqueous species and minerals, smectite clays. XI03:Xiong, Yongliang, 2003, Predicted equilibrium constants for solid and aqueous selenium species to 300 C: Applications to selenium-rich mineral deposits; Ore Geology Reviews 23 (2003) 259–276; recomputed by Kyu-Youl Sung for inclusion in Soltherm (Feb 06), with assistance from J. Palandri and M. Reed. ZH94:Zhang, X., Spry, P., 1994, ECONOMIC GEOLOGY, 89, 1152-1166. Bess05:Bessinger, Brad, and Apps, John A. The Hydrothermal Chemistry of Gold, Arsenic, Antimony, Mercury and Silver. Unpublished manuscript. Also includes new data for HS- and H2S. Data added to supcrt and log K's for all relevant phases and species recomputed, plus many new ones. April-May 2005. FTA: These next four compiled by Fernando Tornos HE90-FTA: HEINRICH,1990, ECON.GEOL.,85-3 data between 200 and 400øC JH85-FTA: JACKSON & HELGESON,1985,GEO.COSMO.ACTA,49,1-22.F.TORNOS PA86-FTA: Pabalan (1986) Ph.D. Thesis WM91-FTA: I Wosteyovskaya 1991 SGA, 715 not working -VIRIAL COEFFICIENTS (for subroutine PHI in program CHIM-XPT). 2nd cross Virial b12 (H2O-CO2), b13 (H2O-CH4), b23 (CO2-CH4), 2nd Virial b, 3rd Virial c. These are T dependent. The entries b12coe, b13coe,... h2o b,c co2 b,c ...etc are coefficients to compute virial coefficients as function of temperature: b = bcoe(1)/tempk + bcoe(2) + bcoe(3)*tempk , same form for c Each gas with jsol = 6 must have entries for these coefficients where H2O must be first entry, CO2 second, CH4 third, H2 fourth and H2S fifth. There should always be entries for these five gases, and their names should always be (starting first column):"H2O,gas", "CO2,gas", "CH4,gas", "H2,gas", "H2S,gas" plus padding blanks to make the string 20 characters in length. These data for gases (b, c, bij, cijk) were computed from p-v-t H2O Kennedy&Holser: handbook of physical constant, GSA Memoir 97, p 374 CO2 Kennedy&Holser: Same as above p 382. data below 25 bars from iupac table, international thermodynamic tables of the fluid state,v.3, S.Angus et al, 1976, Pergamon Press. CH4 1-15 bars: iupac tables,v.5, S.Angus et al,1978 20-400 bars: D.R.Douslin et al, J.of Chem.Eng.Data,9/3,1964 400-500 bars: H.H.Reamer et al, Ind.Eng.Chem, 36,88-91, 1944 H2 25-150 deg.c: A.Michels et al, Physica 25, 25-42, 1959 200-600 deg.c: D.C.Presnall, J.Geophys.Res.,74/25, 6026,1969 CO2-H2O: R.Wiebe & V.L.Gaddy, J.Am.Chem.Soc. 61, 1939, and 62, 1940, and 63, 1941 S.D.Malinin, Geochemistry, 3, p291-306, 1959 K.Todheide & E.U.Frank, Zeit.Phys.Chem Neue Folge,37, 1963 S.Takenouchi & G.C.Kennedy, Am.J.Sc., 262, 1964 C.R.Coan & A.D.King, J.Am.Chem.Soc, 93, 1971 H2O-CH4: M.Rigby and J.M.Prausnitz, J.Phys.Chem, 72, 1968 CH4-CO2: H.H.Reamer et al., Ind.Eng.Chem, 36, 1944 These data are used to compute fugacity coefficients of pure and mixed gases with accuracy around 1-2% or less at P up up to 500 bars from 150 to 300 deg.c, and 200 bars from from 80 to 150 deg. C. In this lower T range, errors can be up to 10% at 500 bars. Not recommended below 75 Deg.C. except at low P. H2 data is valid up to 3000 bars from 0 to 600 deg.c. See subroutine Phi in CHIM-XPT. See Spycher, N.F. and Reed, M.H., 1988, Fugacity coefficients of H2, CO2, CH4, H2O and of H2O-CO2-CH4 mixtures: A virial equation treatment for moderate pressures and temperatures applicable to calculations of hydrothermal boiling. GCA 52, 739-749. -GASES AND MINERALS akg2011: Enthalpy and entropy: Lemire, R.J. et al. 2013. Chemical Thermodynamics of Iron Part 1, in: Perrone, J. (Ed.). OECD Nuclear Energy Agency, Issy-les-Moulineaux, France, p. 1083. Heat capacity: Snow, C.L., Smith, S.J., Lang, B.E., Shi, Q., Boerio-Goates, J., Woodfield, B.F., Navrotsky, A., 2011. Heat capacity studies of the iron oxyhydroxides akaganéite (b-FeOOH) and lepidocrocite (g-FeOOH). J. Chem Thermodynamics 43, 190-199. Note that heat capacity was measured from 0 to 300K (26.85 C); we extrapolate to 150C using their data from 100 to 300K. Molar volume: no new data; use goethite. BAR77: Barin, I., Knacke, O., and Kubaschewski, O., 1977, Thermochemical properties of inorganic substances (supplement): Berlin, Springer-Verlag, 861 p. Diak98a: Diakonov, I.I., Tagirov, B.R., Ragnarsdottir, K.V., 1998. Standard thermodynamic properties and heat capacity equations for rare earth element hydroxides: I. La(OH)3(s) and Nd(OH)3(s). Comparison of thermochemical and solubility data. Radiochimica Acta 81, 107-116. Data added to Supcrt spronshp. Diak98b: Diakonov, I.I., Ragnarsdottir, K.V., Tagirov, B.R., 1998. Standard thermodynamic properties and heat capacity equations of rare earth hydroxides: II. Ce(III)-, Pr-, Sm-, Eu(III)-, Gd-, Tb-, Dy-, Ho-, Er-, Tm-, Yb-, and Y-hydroxides. Comparison of thermochemical and solubility data. Chem. Geol. 151, 327-347. Data added to Supcrt spronshp, except Ce, Sm, Dy, Er, Tm, and Yb because heat capacity coefficients are absen for these. EH82: Hogfeldt, E. (1982) Stability constants of metal-ion complexes. Part A: Inorganic ligands. International Union of Pure and Applied Chemistry, Pergamon Press. NiCl2 has been extrapolated by drawing its curve parallel to that of the other transition metal complexes. FTA: Fernando Tornos; Scheelite from Heinrich (1991 com.pers.) Gaboreau04: Gaboreau, S., Vieillard, P., 2004. Prediction of Gibbs free energies of formation of minerals of the alunite supergroup. Geochim. Cosmochim. Acta 68, 3307-3316. Gysi15: Gysi, A.P., Williams-Jones, A.E., 2015. The thermodynamic properties of bastnäsite-(Ce) and parisite-(Ce). Chem. Geol. 392, 87-101. Holl&P98:Holland, T. J. B. and Powell, R., 1998, An internally consistent thermodynamic data set for phases of petrological interest. Journal of Metamorphic Geology, v. 16, p. 309-343. Also on web at: http://www.esc.cam.ac.uk/astaff/holland/ Equilibrium constants calculated with a modified version of SUPCRT92, (in Johnson J.W., Oelkers, E.H., and Helgeson, H.C., 1992, Computers and Geosciences, v18 pp 899-947) modified to use Holland and Powell heat capacity regression model: a + bT + cT^-2 + dT^-(1/2). H&P2011: Holland, T.J.B., Powell, R., 2011. An improved and extended internally consistent thermodynamic dataset for phases of petrological interest, involving a new equation of state for solids. J. Metamorph. Geol. 29, 333-383. The version used for data herein is an updated version: http://www.metamorph.geo.uni-mainz.de/thermocalc/dataset6/downloads/pc62.zip Using file tc-ds62.txt therein. Equilibrium constants are calculated with a modified version of SUPCRT92, (in Johnson J.W., Oelkers, E.H., and Helgeson, H.C., 1992, Computers and Geosciences, v18 pp 899-947) modified to use Holland and Powell heat capacity regression model: a + bT + cT^-2 + dT^-(1/2). Equilibrium constants calculated with aqueous species data from Shock07. HP2011j: Anorthite-albite plag solid solutions (an20ab80, an25ab75, an30ab70) with imposed ideal mixing. Linear combination of log K's, minus stabililty from ideal mixing, (X1 * ln(X1) + X2 * ln(X2))/2.303. Useful approximations for the given compositions (peristerite gap.). Mixed amphibole tr.625ac.25prg.125, also with imposed ideality. JA83?:Janecky and Seyfried, 1983, Am J Sci, v283 n8, pp 831-860. Janots07: Janots, E. et al. 2007. Thermochemistry of monazite-(La) and dissakisite-(La): implications for monazite and allanite stability in metapelites. Contrib. Mineral Petrol. 154, 1-14. MA07: Matschei, Thomas; Lothenbach, Barbara; Glasser, Fredrik P., 2007, Thermodynamic properties of Portland cement hydrates in the system CaO–Al2O3–SiO2–CaSO4–CaCO3–H2O: Cement and Concrete Research, v. 37, n. 10, pp. 1379-1410 MGC2016: Migdisov, A., Williams-Jones, A.E., Brugger, J., Caporuscio, F.A., 2016. Hydrothermal transport, deposition, and fractionation of the REE: Experimental data and thermodynamic calculations. Chem. Geol. 439, 13-42. NOTE: A Compilation from many sources. Ogor12 ... G, H, S, and Cp: Ogorodova, L.P., Melchakova, L.V., Kiseleva, I.A., Peretyazhko, I.S., 2012. Thermodynamics of natural tourmalines-Dravite and schorl. Thermochimica Acta 539, 1-6. MOLAR VOLUME: Van Hinsberg, V.J., Schumacher, J.C., 2007. Using estimated thermodynamic properties to model accessory phases: the case of tourmaline. J. Metamorph. Geol. 25, 769-779. Enthalpies adjusted slightly (all by <1540 J = 368 cal) to be consistent with data from Holland and Powell. Poitr04: Poitrasson, F., Oelkers, E., Schott, J., Montel, J.-M., 2004. Experimental determination of synthetic NdPO4 monazite end-member solubility in water from 21°C to 300°C: Implications for rare earth element mobility in crustal fluids. Geochim. Cosmochim. Acta 68, 2207-2221. PS85: Penn State Data Set, 1985 (approx time) RG97:V.Roland Goodgame, UO PhD dissertation (1997) The distribution and origin of arsenic and platinum group element mineralization in the Mariners nickel deposit, Widgiemooltha, Western Australia. Ph.D. thesis, University of Oregon. Estimated from plotting thermodynamic data for endmembers Ni9S8 and Fe9S8 against sulfur to cation ratio, then forming an ideal mixing model for pentlandite. The second model for pentlandite contains experimental enthalpy of formation from Cemic and Kleppa, 1987, Physics and Chem. of Minerals, v. 14, pp. 52-57. Gersdorffite and cobaltite estimated by assumption of equilibrium with other sulfides and eqtrapolated using Cp for cobaltite from Naumov et al., 1971,HNBK THERMOCHEM. DATA, SPRAVOCHNIK TERMODINACHESNIKH VELICHNIN, MOSCOW ATOMIZDAT, 239 P. RHF78:Robie, R.A. et al. (1978). Thermodynamic properties of minerals and related substances at 298.15K and 1 bar (105 pascals) and at higher temperatures. USGS Bulletin 1452: 1-456. Delta G recalculated using entropy of the elements from Helgeson, H.C., et al, 1978, Am J Sci v278A, and Wagman, D.D., et al, 1982, J Phys and Chem Ref Data, v11, supp. 11. RH95:Robie, R.A. and Hemingway, B.S. (1995). Thermodynamic properties of minerals and related substances at 298.15K and 1 bar (105 pascals) and at higher temperatures. USGS Bulletin 2131: 1-461. Minerals with five heat capacity coefficients re-regressed to have four as in Holland and Powell. RSH94:Chalcocite data added to supcrt to get new log K's here. Cu-Fe-S minerals (cv, cc, cp, bn only) Robie, Seal and Hemingway, Can Min, 32, p945-956 (1994). GHSV only, but original supcrt heat capacity data kept. Abandon this cp, too stable, resume Shock data. S&P2010: Spear, F.S., Pyle, J.M., 2010. Theoretical modeling of monazite growth in a low-Ca metapelite. Chem. Geol. 273, 111-119. Sack00: Sack, R.O., 2000. Internally consistent database for sulfides and sulfosalts in the system Ag2S-Cu2S-ZnS-Sb2S3-As2S3. Geochim. Cosmochim. Acta 64, 3803-3812. SB91:Schoonen, M.A.A. and Barnes, H.L., 1991. GCA v55, pp 1495-1504 Shock07:From E.Shock's most current Supcrt data available at: http://geopig.asu.edu/sites/default/files/slop07.dat Relative to slop98.dat, added are molybdenite, goethite, iron, and selenium minerals, and HMoO4- and updated CO2,aq aqueous species. Spear10: Spear, F.S., 2010. Monazite–allanite phase relations in metapelites. Chem. Geol. 279, 55-62. SR89c:Hg,gas. See above references for complexes. ST88: Sepiolite DG, DH, Cp, S, V from Stoessell, R.K., 1988. 25°C and 1 atm dissolution experiments of sepiolite and kerolite, GCA 52, 365-374. DG recalculated using old SiO2,aq and new H4SiO4,aq, so that log K at STP is unchanged. Since Supcrt uses DH and S instead of DG, also recalculate DH using S, S-elements, and DG. TU14: Tutolo, B. M., X.-Z. Kong, et al. (2014). "Internal consistency in aqueous geochemical data revisited: Applications to the aluminum system." Geochimica et Cosmochimica Acta 133: 216-234. WH77: CHALCEDONY - Cp, S, V from quartz in Holland and Powell 2011; Delta H, G @ 25C adjusted so that the difference between chalcedony and HP2011 quartz is the same as the differences in Walther and Helgeson 1977, Calculation of the thermodynamic properties of aqueous silica and the solubility of quartz and its polymorphs at high pressures and temperatures. Am. J. Sci. 277, 1315-1351. AMORPHOUS SILICA - Cp, S, V from amorphous-silica in Walther and Helgeson 1977. Delta H, G @ 25C adjusted so that the differences between amorphous silica and quartz are the same as the difference in Walther and Helgeson 1977. W&H data valid to 375C. WO90:EQ3/6 data base from Bill Borcier, LLNL, 1990. Smectite clays, U-species and minerals. Data for all uranium-bearing aqueous species and minerals are from the EQ3/6 data base, 1990 version. ZS91:Zhu, C., Sverjensky, D.A., 1991. Partitioning of F-Cl-OH between minerals and hydrothermal fluids. Geochim. Cosmochim. Acta 55, 1837-1858. ************************************************************************ Debye-H A-gamma 0.4907 0.5092 0.5336 0.5639 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.4907 0.5092 0.5336 0.5639 0.5998 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.4907 0.5092 0.5336 0.5639 0.5997 0.6416 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.4906 0.5091 0.5335 0.5638 0.5996 0.6414 0.6898 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.4905 0.5090 0.5334 0.5636 0.5995 0.6412 0.6895 0.7454 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.4904 0.5089 0.5332 0.5634 0.5992 0.6408 0.6891 0.7444 0.8099 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.4902 0.5086 0.5329 0.5631 0.5988 0.6403 0.6884 0.7435 0.8087 0.8860 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.4898 0.5083 0.5325 0.5626 0.5982 0.6396 0.6874 0.7423 0.8069 0.8820 0.9785 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.4894 0.5078 0.5320 0.5620 0.5974 0.6386 0.6861 0.7405 0.8045 0.8787 0.9736 1.0960 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.4888 0.5072 0.5313 0.5612 0.5964 0.6372 0.6843 0.7382 0.8014 0.8744 0.9672 1.0797 1.2555 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.4881 0.5064 0.5304 0.5601 0.5950 0.6355 0.6820 0.7352 0.7973 0.8689 0.9590 1.0679 1.2348 1.4943 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.4871 0.5054 0.5292 0.5586 0.5933 0.6332 0.6791 0.7315 0.7921 0.8619 0.9486 1.0531 1.2090 1.4187 1.9252 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.4863 0.5046 0.5283 0.5576 0.5919 0.6315 0.6769 0.7286 0.7882 0.8566 0.9408 1.0420 1.1898 1.3876 1.8464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.4853 0.5034 0.5270 0.5560 0.5900 0.6291 0.6738 0.7245 0.7827 0.8492 0.9300 1.0265 1.1634 1.3450 1.7398 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.4842 0.5023 0.5257 0.5545 0.5881 0.6267 0.6707 0.7205 0.7773 0.8421 0.9195 1.0118 1.1384 1.3050 1.6413 2.2041 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.4832 0.5012 0.5245 0.5530 0.5863 0.6244 0.6678 0.7167 0.7722 0.8352 0.9096 0.9977 1.1149 1.2676 1.5507 2.1172 2.4140 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.4822 0.5001 0.5232 0.5515 0.5845 0.6221 0.6648 0.7129 0.7671 0.8285 0.9000 0.9843 1.0928 1.2327 1.4680 2.0341 2.3043 2.6216 2.9858 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.4812 0.4991 0.5220 0.5500 0.5827 0.6199 0.6620 0.7093 0.7623 0.8221 0.8909 0.9716 1.0721 1.2003 1.3934 1.9546 2.1997 2.4867 2.8155 3.1860 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.4802 0.4980 0.5208 0.5486 0.5809 0.6177 0.6592 0.7057 0.7576 0.8159 0.8822 0.9595 1.0529 1.1705 1.3267 1.8789 2.1002 2.3586 2.6538 2.9861 3.3553 3.7317 4.1351 4.5655 5.0230 5.5075 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.4792 0.4969 0.5195 0.5471 0.5792 0.6156 0.6565 0.7023 0.7533 0.8103 0.8749 0.9497 1.0393 1.1512 1.2983 1.8069 2.0059 2.2372 2.5010 2.7972 3.1258 3.4624 3.8233 4.2085 4.6179 5.0517 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.4783 0.4959 0.5183 0.5457 0.5774 0.6135 0.6540 0.6990 0.7491 0.8049 0.8677 0.9402 1.0263 1.1328 1.2711 1.7386 1.9166 2.1227 2.3569 2.6193 2.9098 3.2091 3.5301 3.8729 4.2373 4.6233 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.4773 0.4948 0.5171 0.5443 0.5758 0.6115 0.6514 0.6958 0.7450 0.7996 0.8609 0.9310 1.0137 1.1150 1.2451 1.6741 1.8324 2.0149 2.2216 2.4524 2.7075 2.9720 3.2557 3.5587 3.8810 4.2225 4.5833 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.4764 0.4938 0.5160 0.5429 0.5741 0.6095 0.6489 0.6927 0.7410 0.7945 0.8542 0.9222 1.0017 1.0981 1.2204 1.6132 1.7533 1.9139 2.0950 2.2966 2.5188 2.7509 3.0000 3.2661 3.5492 3.8492 4.1663 4.5004 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.4755 0.4928 0.5148 0.5416 0.5725 0.6075 0.6465 0.6896 0.7371 0.7895 0.8478 0.9137 0.9901 1.0819 1.1969 1.5561 1.6793 1.8197 1.9772 2.1519 2.3437 2.5458 2.7629 2.9949 3.2417 3.5035 3.7801 4.0716 4.3780 4.6993 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.4749 0.4919 0.5137 0.5402 0.5709 0.6056 0.6441 0.6866 0.7334 0.7847 0.8416 0.9055 0.9791 1.0665 1.1747 1.5027 1.6104 1.7323 1.8682 2.0181 2.1822 2.3569 2.5446 2.7452 2.9587 3.1852 3.4246 3.6770 3.9423 4.2205 4.5117 99999.999 99999.999 99999.999 99999.999 99999.999 0.4737 0.4909 0.5127 0.5390 0.5694 0.6037 0.6418 0.6838 0.7298 0.7801 0.8357 0.8977 0.9685 1.0519 1.1537 1.4530 1.5467 1.6517 1.7679 1.8955 2.0343 2.1840 2.3449 2.5169 2.7001 2.8944 3.0999 3.3165 3.5443 3.7833 4.0334 4.2946 4.5670 99999.999 99999.999 99999.999 0.4728 0.4900 0.5116 0.5377 0.5678 0.6019 0.6396 0.6810 0.7263 0.7757 0.8299 0.8902 0.9584 1.0380 1.1339 1.4070 1.4880 1.5778 1.6764 1.7838 1.9000 2.0272 2.1639 2.3101 2.4659 2.6312 2.8060 2.9903 3.1842 3.3875 3.6005 3.8229 4.0548 4.2963 99999.999 99999.999 0.4720 0.4891 0.5106 0.5365 0.5664 0.6001 0.6373 0.6782 0.7229 0.7714 0.8245 0.8830 0.9489 1.0249 1.1154 1.3647 1.4344 1.5108 1.5937 1.6832 1.7794 1.8864 2.0016 2.1248 2.2561 2.3954 2.5428 2.6983 2.8618 3.0333 3.2130 3.4006 3.5964 3.8002 4.0121 4.2320 0.4710 0.4882 0.5096 0.5353 0.5649 0.5983 0.6352 0.6756 0.7196 0.7673 0.8192 0.8762 0.9398 1.0126 1.0981 1.3262 1.3860 1.4505 1.5197 1.5936 1.6723 1.7618 1.8580 1.9610 2.0707 2.1872 2.3076 2.4339 2.5660 2.7039 2.8476 2.9581 3.0614 3.1575 3.2464 3.3281 0.4633 0.4807 0.5013 0.5251 0.5522 0.5828 0.6168 0.6538 0.6934 0.7353 0.7795 0.8263 0.8766 0.9317 0.9934 1.1453 1.1821 1.2210 1.2620 1.3051 1.3504 1.3989 1.4500 1.5035 1.5596 1.6181 1.6752 1.7334 1.7928 1.8534 1.9151 1.9606 2.0014 2.0376 2.0691 2.0960 0.4564 0.4730 0.4925 0.5149 0.5402 0.5686 0.5998 0.6334 0.6692 0.7068 0.7461 0.7873 0.8308 0.8774 0.9282 1.0476 1.0753 1.1043 1.1345 1.1660 1.1988 1.2329 1.2683 1.3050 1.3429 1.3822 1.4188 1.4553 1.4919 1.5283 1.5648 1.5884 1.6078 1.6228 1.6336 1.6400 0.4501 0.4665 0.4853 0.5064 0.5303 0.5567 0.5856 0.6163 0.6489 0.6828 0.7182 0.7551 0.7939 0.8352 0.8798 0.9828 1.0062 1.0306 1.0558 1.0820 1.1092 1.1368 1.1653 1.1945 1.2245 1.2554 1.2831 1.3102 1.3369 1.3630 1.3887 1.4031 1.4135 1.4198 1.4220 1.4202 0.4447 0.4606 0.4787 0.4987 0.5214 0.5463 0.5732 0.6016 0.6315 0.6625 0.6946 0.7280 0.7630 0.8001 0.8399 0.9305 0.9507 0.9716 0.9932 1.0154 1.0384 1.0613 1.0847 1.1085 1.1328 1.1575 1.1787 1.1991 1.2186 1.2373 1.2551 1.2630 1.2670 1.2671 1.2633 1.2556 0.4404 0.4554 0.4726 0.4922 0.5139 0.5378 0.5632 0.5900 0.6178 0.6466 0.6763 0.7072 0.7394 0.7737 0.8103 0.8935 0.9119 0.9309 0.9505 0.9707 0.9915 1.0120 1.0327 1.0538 1.0752 1.0968 1.1149 1.1320 1.1480 1.1631 1.1772 1.1820 1.1831 1.1804 1.1739 1.1638 0.4363 0.4505 0.4670 0.4860 0.5070 0.5299 0.5541 0.5795 0.6057 0.6327 0.6605 0.6894 0.7195 0.7515 0.7857 0.8632 0.8802 0.8978 0.9159 0.9345 0.9536 0.9722 0.9910 1.0100 1.0292 1.0485 1.0642 1.0787 1.0922 1.1045 1.1158 1.1183 1.1172 1.1124 1.1040 1.0919 0.4325 0.4459 0.4618 0.4802 0.5006 0.5227 0.5459 0.5702 0.5952 0.6209 0.6473 0.6746 0.7032 0.7335 0.7660 0.8395 0.8556 0.8722 0.8892 0.9068 0.9247 0.9421 0.9595 0.9771 0.9948 1.0125 1.0266 1.0394 1.0511 1.0617 1.0710 1.0720 1.0694 1.0632 1.0534 1.0400 0.4288 0.4417 0.4570 0.4748 0.4947 0.5161 0.5387 0.5621 0.5863 0.6111 0.6366 0.6629 0.6905 0.7198 0.7513 0.8225 0.8381 0.8541 0.8706 0.8875 0.9049 0.9216 0.9383 0.9551 0.9720 0.9889 1.0021 1.0141 1.0249 1.0344 1.0428 1.0429 1.0396 1.0326 1.0221 1.0081 Debye-H B-gamma 0.3245 0.3283 0.3325 0.3371 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.3245 0.3283 0.3325 0.3371 0.3422 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.3245 0.3283 0.3325 0.3371 0.3422 0.3476 100000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.3245 0.3283 0.3325 0.3371 0.3422 0.3476 0.3533 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.3245 0.3283 0.3325 0.3371 0.3422 0.3476 0.3533 0.3592 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.3245 0.3283 0.3325 0.3371 0.3422 0.3476 0.3532 0.3591 0.3655 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.3245 0.3283 0.3325 0.3371 0.3421 0.3475 0.3532 0.3591 0.3654 0.3721 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.3245 0.3283 0.3325 0.3370 0.3421 0.3475 0.3531 0.3590 0.3653 0.3718 0.3792 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.3245 0.3283 0.3325 0.3370 0.3421 0.3474 0.3530 0.3589 0.3651 0.3716 0.3789 0.3871 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.3245 0.3283 0.3324 0.3370 0.3420 0.3473 0.3529 0.3587 0.3649 0.3713 0.3785 0.3861 0.3965 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.3245 0.3283 0.3324 0.3369 0.3419 0.3472 0.3528 0.3585 0.3646 0.3709 0.3779 0.3854 0.3953 0.4085 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.3246 0.3283 0.3324 0.3369 0.3418 0.3471 0.3526 0.3583 0.3642 0.3705 0.3773 0.3845 0.3939 0.4047 0.4256 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.3246 0.3283 0.3323 0.3368 0.3417 0.3470 0.3524 0.3581 0.3640 0.3701 0.3768 0.3838 0.3928 0.4032 0.4223 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.3246 0.3283 0.3323 0.3367 0.3416 0.3468 0.3522 0.3578 0.3636 0.3696 0.3760 0.3829 0.3913 0.4010 0.4179 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.3246 0.3282 0.3323 0.3367 0.3415 0.3467 0.3520 0.3575 0.3632 0.3691 0.3754 0.3819 0.3899 0.3990 0.4138 0.4359 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.3246 0.3282 0.3322 0.3366 0.3414 0.3465 0.3518 0.3573 0.3628 0.3686 0.3747 0.3811 0.3886 0.3971 0.4100 0.4325 0.4393 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.3247 0.3282 0.3322 0.3365 0.3413 0.3464 0.3516 0.3570 0.3625 0.3682 0.3741 0.3802 0.3873 0.3953 0.4065 0.4292 0.4356 0.4425 0.4498 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.3247 0.3282 0.3321 0.3365 0.3412 0.3462 0.3514 0.3567 0.3621 0.3677 0.3735 0.3795 0.3861 0.3937 0.4033 0.4260 0.4320 0.4385 0.4453 0.4525 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.3247 0.3282 0.3321 0.3364 0.3411 0.3461 0.3512 0.3565 0.3618 0.3673 0.3729 0.3787 0.3850 0.3921 0.4004 0.4230 0.4286 0.4346 0.4410 0.4477 0.4548 0.4582 0.4606 0.4621 0.4625 0.4620 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.3247 0.3282 0.3321 0.3363 0.3410 0.3460 0.3510 0.3563 0.3615 0.3669 0.3724 0.3781 0.3842 0.3910 0.3989 0.4201 0.4254 0.4309 0.4369 0.4431 0.4497 0.4531 0.4557 0.4574 0.4584 0.4585 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.3248 0.3282 0.3320 0.3363 0.3409 0.3458 0.3509 0.3560 0.3612 0.3665 0.3719 0.3775 0.3834 0.3899 0.3975 0.4174 0.4223 0.4275 0.4329 0.4387 0.4448 0.4482 0.4510 0.4530 0.4544 0.4551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.3248 0.3282 0.3320 0.3362 0.3408 0.3457 0.3507 0.3558 0.3609 0.3662 0.3715 0.3769 0.3826 0.3889 0.3961 0.4148 0.4193 0.4241 0.4292 0.4346 0.4402 0.4436 0.4465 0.4488 0.4506 0.4518 0.4538 100000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.3248 0.3281 0.3319 0.3361 0.3407 0.3455 0.3505 0.3556 0.3607 0.3658 0.3710 0.3763 0.3819 0.3879 0.3948 0.4123 0.4165 0.4210 0.4257 0.4307 0.4359 0.4393 0.4423 0.4448 0.4469 0.4486 0.4508 0.4544 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.3249 0.3281 0.3319 0.3361 0.3406 0.3454 0.3504 0.3554 0.3604 0.3655 0.3706 0.3758 0.3811 0.3870 0.3935 0.4100 0.4139 0.4181 0.4224 0.4270 0.4318 0.4352 0.4383 0.4410 0.4435 0.4456 0.4485 0.4515 0.4545 0.4576 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.3249 0.3281 0.3318 0.3360 0.3405 0.3453 0.3502 0.3552 0.3602 0.3651 0.3701 0.3752 0.3805 0.3861 0.3923 0.4078 0.4115 0.4153 0.4193 0.4236 0.4280 0.4314 0.4345 0.4374 0.4401 0.4426 0.4456 0.4485 0.4514 0.4543 0.4573 99999.999 99999.999 99999.999 99999.999 99999.999 0.3249 0.3281 0.3318 0.3360 0.3404 0.3451 0.3500 0.3550 0.3599 0.3648 0.3697 0.3747 0.3798 0.3852 0.3912 0.4057 0.4091 0.4127 0.4165 0.4204 0.4244 0.4278 0.4310 0.4341 0.4370 0.4398 0.4428 0.4457 0.4485 0.4514 0.4541 0.4550 0.4551 99999.999 99999.999 99999.999 0.3250 0.3281 0.3318 0.3359 0.3404 0.3450 0.3499 0.3548 0.3597 0.3645 0.3693 0.3742 0.3792 0.3844 0.3901 0.4038 0.4070 0.4103 0.4138 0.4174 0.4212 0.4245 0.4277 0.4309 0.4340 0.4371 0.4401 0.4430 0.4458 0.4485 0.4511 0.4519 0.4520 0.4515 99999.999 99999.999 0.3250 0.3281 0.3317 0.3359 0.3403 0.3449 0.3497 0.3546 0.3594 0.3642 0.3690 0.3738 0.3786 0.3836 0.3891 0.4020 0.4050 0.4081 0.4113 0.4147 0.4182 0.4214 0.4247 0.4280 0.4313 0.4346 0.4375 0.4403 0.4431 0.4457 0.4482 0.4490 0.4491 0.4486 0.4474 0.4455 0.3249 0.3281 0.3317 0.3358 0.3402 0.3448 0.3496 0.3544 0.3592 0.3639 0.3686 0.3733 0.3780 0.3829 0.3882 0.4004 0.4032 0.4061 0.4091 0.4122 0.4154 0.4186 0.4219 0.4252 0.4286 0.4321 0.4350 0.4378 0.4405 0.4430 0.4454 0.4462 0.4463 0.4457 0.4446 0.4428 0.3251 0.3281 0.3315 0.3353 0.3395 0.3439 0.3483 0.3528 0.3573 0.3616 0.3658 0.3699 0.3739 0.3780 0.3822 0.3915 0.3936 0.3957 0.3978 0.4001 0.4024 0.4047 0.4070 0.4093 0.4117 0.4141 0.4161 0.4180 0.4198 0.4215 0.4231 0.4235 0.4234 0.4228 0.4218 0.4203 0.3252 0.3280 0.3312 0.3349 0.3388 0.3430 0.3472 0.3514 0.3556 0.3596 0.3635 0.3673 0.3710 0.3747 0.3784 0.3865 0.3882 0.3900 0.3918 0.3937 0.3956 0.3975 0.3993 0.4012 0.4031 0.4050 0.4065 0.4079 0.4092 0.4103 0.4113 0.4112 0.4107 0.4097 0.4083 0.4064 0.3283 0.3291 0.3310 0.3345 0.3383 0.3422 0.3463 0.3503 0.3542 0.3580 0.3616 0.3652 0.3686 0.3721 0.3756 0.3832 0.3848 0.3864 0.3881 0.3898 0.3916 0.3932 0.3949 0.3965 0.3982 0.3998 0.4011 0.4021 0.4031 0.4039 0.4045 0.4048 0.4048 0.4046 0.4042 0.4035 0.3302 0.3297 0.3308 0.3342 0.3378 0.3416 0.3455 0.3493 0.3530 0.3566 0.3601 0.3634 0.3667 0.3700 0.3734 0.3806 0.3821 0.3837 0.3853 0.3869 0.3885 0.3900 0.3915 0.3930 0.3945 0.3960 0.3970 0.3979 0.3986 0.3991 0.3995 0.3997 0.3998 0.3998 0.3996 0.3992 0.3309 0.3299 0.3307 0.3339 0.3375 0.3411 0.3449 0.3486 0.3521 0.3556 0.3590 0.3621 0.3654 0.3685 0.3719 0.3789 0.3804 0.3819 0.3835 0.3850 0.3866 0.3881 0.3896 0.3910 0.3924 0.3938 0.3948 0.3955 0.3961 0.3965 0.3967 0.3963 0.3956 0.3945 0.3931 0.3914 0.3304 0.3297 0.3306 0.3337 0.3372 0.3407 0.3443 0.3479 0.3514 0.3547 0.3580 0.3611 0.3643 0.3674 0.3707 0.3777 0.3792 0.3807 0.3822 0.3837 0.3853 0.3867 0.3882 0.3896 0.3909 0.3923 0.3932 0.3938 0.3943 0.3947 0.3948 0.3940 0.3927 0.3910 0.3889 0.3863 0.3288 0.3291 0.3305 0.3335 0.3369 0.3404 0.3439 0.3474 0.3508 0.3540 0.3573 0.3603 0.3635 0.3666 0.3699 0.3769 0.3784 0.3799 0.3814 0.3830 0.3845 0.3860 0.3874 0.3887 0.3901 0.3914 0.3922 0.3929 0.3933 0.3936 0.3937 0.3927 0.3912 0.3893 0.3868 0.3839 0.3261 0.3280 0.3304 0.3334 0.3366 0.3401 0.3435 0.3469 0.3503 0.3535 0.3567 0.3598 0.3629 0.3661 0.3694 0.3766 0.3781 0.3796 0.3812 0.3827 0.3843 0.3857 0.3872 0.3885 0.3899 0.3912 0.3920 0.3926 0.3931 0.3933 0.3934 0.3925 0.3911 0.3892 0.3870 0.3842 HKF-ext BINACL 2.7499 2.4700 2.1500 1.7900 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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1.8086 4.1907 5.9872 7.5641 9.3511 10.8877 12.3249 13.7657 15.2274 16.5575 19.1694 19.6656 20.1531 20.6318 21.1018 21.5631 22.0615 22.5664 23.0778 23.5958 24.1203 24.6514 25.1890 25.7331 26.2837 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.1080 -9.2653 -5.0965 -2.6044 -0.0315 1.7843 4.1767 5.9695 7.5432 9.3329 10.8679 12.3056 13.7460 15.2122 16.5400 19.1580 19.6556 20.1446 20.6249 21.0966 21.5596 22.0566 22.5591 23.0672 23.5808 24.1000 24.6247 25.1550 25.6909 26.2323 26.7792 99999.999 99999.999 99999.999 99999.999 99999.999 -15.0837 -9.2446 -5.0862 -2.6114 -0.0422 1.7624 4.1636 5.9530 7.5243 9.3156 10.8492 12.2875 13.7275 15.1979 16.5235 19.1474 19.6464 20.1368 20.6186 21.0919 21.5565 22.0522 22.5524 23.0573 23.5667 24.0808 24.5995 25.1228 25.6507 26.1831 26.7202 27.2619 27.8082 99999.999 99999.999 99999.999 -15.0555 -9.2251 -5.0784 -2.6181 -0.0521 1.7427 4.1515 5.9375 7.5074 9.2994 10.8317 12.2705 13.7104 15.1844 16.5080 19.1375 19.6378 20.1296 20.6129 21.0877 21.5539 22.0483 22.5463 23.0481 23.5536 24.0628 24.5756 25.0922 25.6124 26.1364 26.6641 27.1954 27.7305 28.2692 99999.999 99999.999 -15.0234 -9.2069 -5.0730 -2.6243 -0.0614 1.7252 4.1403 5.9232 7.4927 9.2842 10.8153 12.2547 13.6946 15.1718 16.4935 19.1284 19.6300 20.1231 20.6078 21.0840 21.5517 22.0449 22.5409 23.0397 23.5413 24.0458 24.5531 25.0633 25.5762 26.0920 26.6106 27.1321 27.6564 28.1835 28.7134 29.2462 -14.3877 -9.1900 -5.0700 -2.6300 -0.0700 1.7100 4.1300 5.9100 7.4800 9.2700 10.8000 12.2400 13.6800 15.1600 16.4800 19.1200 19.6228 20.1172 20.6032 21.0808 21.5500 22.0420 22.5360 23.0320 23.5300 24.0300 24.5320 25.0360 25.5420 26.0500 26.5600 27.0720 27.5860 28.1020 28.6200 29.1400 -13.6147 -9.0975 -5.3413 -2.6663 -0.1175 1.7838 4.1038 5.8563 7.5275 9.1775 10.7038 12.1550 13.6263 15.0838 16.4000 19.0775 19.5893 20.0932 20.5892 21.0773 21.5575 22.0411 22.5205 22.9957 23.4668 23.9338 24.3966 24.8552 25.3097 25.7601 26.2063 26.6483 27.0862 27.5200 27.9496 28.3750 -13.3115 -9.1200 -5.5200 -2.6500 -0.1000 1.8800 4.1200 5.8800 7.6600 9.2000 10.7300 12.1900 13.6600 15.1000 16.4200 19.1100 19.6252 20.1328 20.6328 21.1252 21.6100 22.0908 22.5652 23.0332 23.4948 23.9500 24.3988 24.8412 25.2772 25.7068 26.1300 26.5468 26.9572 27.3612 27.7588 28.1500 -13.5427 -9.2475 -5.5625 -2.5700 -0.0288 1.9288 4.1138 5.9438 7.8763 9.3425 10.8963 12.3625 13.7613 15.1913 16.5375 19.2000 19.7096 20.2115 20.7057 21.1923 21.6713 22.1609 22.6489 23.1354 23.6204 24.1038 24.5856 25.0659 25.5447 26.0219 26.4975 26.9716 27.4442 27.9152 28.3846 28.8525 -14.1147 -9.5100 -5.6000 -2.4600 0.1300 2.1400 4.2800 6.1600 8.1800 9.5900 11.1500 12.6200 13.9900 15.4100 16.7600 19.4000 19.9052 20.4028 20.8928 21.3752 21.8500 22.3424 22.8356 23.3296 23.8244 24.3200 24.8164 25.3136 25.8116 26.3104 26.8100 27.3104 27.8116 28.3136 28.8164 29.3200 -15.1094 -9.9263 -5.6113 -2.3250 0.4075 2.5638 4.6700 6.5813 8.5675 9.9488 11.4775 12.9575 14.3675 15.7813 17.0900 19.7188 20.2219 20.7174 21.2054 21.6859 22.1588 22.6447 23.1299 23.6144 24.0982 24.5813 25.0637 25.5454 26.0264 26.5067 26.9863 27.4652 27.9434 28.4209 28.8977 29.3738 -16.2808 -10.4400 -5.6600 -2.1500 0.7100 3.0500 5.1300 7.0500 9.0500 10.4000 11.9200 13.3900 14.8300 16.2300 17.5200 20.1300 20.6304 21.1236 21.6096 22.0884 22.5600 23.0400 23.5180 23.9940 24.4680 24.9400 25.4100 25.8780 26.3440 26.8080 27.2700 27.7300 28.1880 28.6440 29.0980 29.5500 -17.6288 -11.0513 -5.7463 -1.9350 1.0375 3.5988 5.6600 7.5663 9.6275 10.9438 12.4775 13.9175 15.3775 16.7563 18.0500 20.6338 21.1309 21.6214 22.1054 22.5829 23.0538 23.5285 24.0001 24.4686 24.9340 25.3963 25.8555 26.3116 26.7646 27.2145 27.6613 28.1050 28.5456 28.9831 29.4175 29.8488 -19.1534 -11.7600 -5.8700 -1.6800 1.3900 4.2100 6.2600 8.1300 10.3000 11.5800 13.1500 14.5400 16.0100 17.3600 18.6800 21.2300 21.7232 22.2108 22.6928 23.1692 23.6400 24.1100 24.5760 25.0380 25.4960 25.9500 26.4000 26.8460 27.2880 27.7260 28.1600 28.5900 29.0160 29.4380 29.8560 30.2700 H2O Enthalpy H(P,T) kcal/mol 0.0000000 0.4509000 0.9012000 1.3516000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.0000000 0.4509000 0.9012000 1.3516000 1.8039000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.0005000 0.4515000 0.9017000 1.3520000 1.8043000 2.2604000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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5.2102000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.0370000 0.4846000 0.9326000 1.3811000 1.8314000 2.2853000 2.7439000 3.2087000 3.6823000 4.1683000 4.6727000 5.2054000 5.7868000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.0520000 0.4983000 0.9454000 1.3931000 1.8427000 2.2956000 2.7532000 3.2169000 3.6888000 4.1725000 4.6733000 5.2003000 5.7700000 6.4263000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.0713000 0.5160000 0.9620000 1.4086000 1.8572000 2.3091000 2.7654000 3.2275000 3.6974000 4.1782000 4.6750000 5.1952000 5.7524000 6.3769000 7.1921000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.0862000 0.5296000 0.9748000 1.4207000 1.8685000 2.3196000 2.7750000 3.2359000 3.7042000 4.1830000 4.6767000 5.1922000 5.7411000 6.3472000 7.0842000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.1074000 0.5492000 0.9932000 1.4381000 1.8848000 2.3348000 2.7888000 3.2481000 3.7143000 4.1903000 4.6800000 5.1894000 5.7279000 6.3132000 6.9885000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.1285000 0.5687000 1.0116000 1.4554000 1.9012000 2.3500000 2.8027000 3.2604000 3.7247000 4.1980000 4.6841000 5.1879000 5.7176000 6.2866000 6.9235000 9.2675000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.1495000 0.5881000 1.0299000 1.4728000 1.9175000 2.3652000 2.8167000 3.2729000 3.7353000 4.2062000 4.6888000 5.1877000 5.7097000 6.2654000 6.8751000 8.5608000 9.1484000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.1703000 0.6075000 1.0482000 1.4901000 1.9338000 2.3805000 2.8308000 3.2856000 3.7462000 4.2147000 4.6941000 5.1885000 5.7037000 6.2483000 6.8374000 8.3133000 8.7189000 9.1967000 9.7439000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.1910000 0.6268000 1.0665000 1.5074000 1.9502000 2.3959000 2.8450000 3.2984000 3.7573000 4.2236000 4.7001000 5.1903000 5.6994000 6.2345000 6.8072000 8.1689000 8.5072000 8.8834000 9.3035000 9.7626000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.2115000 0.6460000 1.0847000 1.5247000 1.9666000 2.4112000 2.8593000 3.3113000 3.7686000 4.2328000 4.7065000 5.1929000 5.6965000 6.2234000 6.7825000 8.0690000 8.3716000 8.6974000 9.0505000 9.4320000 9.8371000 10.2527000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.2319000 0.6652000 1.1029000 1.5420000 1.9830000 2.4267000 2.8736000 3.3244000 3.7801000 4.2423000 4.7133000 5.1963000 5.6949000 6.2145000 6.7623000 7.9941000 8.2741000 8.5701000 8.8844000 9.2184000 9.5716000 9.9396000 10.3139000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.2522000 0.6843000 1.1211000 1.5593000 1.9994000 2.4421000 2.8880000 3.3376000 3.7917000 4.2520000 4.7206000 5.2003000 5.6944000 6.2075000 6.7455000 7.9353000 8.1995000 8.4755000 8.7647000 9.0683000 9.3863000 9.7173000 10.0578000 10.4018000 10.7426000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.2724000 0.7033000 1.1392000 1.5766000 2.0158000 2.4576000 2.9025000 3.3508000 3.8035000 4.2621000 4.7283000 5.2049000 5.6949000 6.2021000 6.7317000 7.8876000 8.1401000 8.4017000 8.6733000 8.9558000 9.2494000 9.5535000 9.8666000 10.1856000 10.5063000 10.8239000 11.1340000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.2924000 0.7223000 1.1573000 1.5939000 2.0322000 2.4732000 2.9170000 3.3642000 3.8155000 4.2723000 4.7364000 5.2101000 5.6962000 6.1982000 6.7202000 7.8482000 8.0915000 8.3422000 8.6008000 8.8678000 9.1435000 9.4278000 9.7198000 10.0179000 10.3196000 10.6216000 10.9206000 11.2134000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.3124000 0.7412000 1.1754000 1.6111000 2.0487000 2.4887000 2.9316000 3.3777000 3.8277000 4.2828000 4.7448000 5.2158000 5.6984000 6.1955000 6.7108000 7.8152000 8.0511000 8.2931000 8.5415000 8.7968000 9.0590000 9.3282000 9.6039000 9.8852000 10.1704000 10.4576000 10.7443000 11.0279000 11.3062000 11.5774000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.3322000 0.7600000 1.1934000 1.6284000 2.0651000 2.5043000 2.9462000 3.3912000 3.8399000 4.2935000 4.7535000 5.2220000 5.7012000 6.1939000 6.7032000 7.7873000 8.0171000 8.2520000 8.4922000 8.7381000 8.9898000 9.2472000 9.5100000 9.7777000 10.0494000 10.3235000 10.5984000 10.8722000 11.1430000 11.4090000 11.6688000 99999.999 99999.999 99999.999 99999.999 99999.999 0.3519000 0.7788000 1.2114000 1.6456000 2.0815000 2.5199000 2.9609000 3.4049000 3.8523000 4.3044000 4.7625000 5.2286000 5.7047000 6.1933000 6.6972000 7.7635000 7.9881000 8.2171000 8.4506000 8.6889000 8.9320000 9.1799000 9.4325000 9.6892000 9.9495000 10.2124000 10.4768000 10.7411000 11.0039000 11.2636000 11.5191000 11.7691000 12.0130000 99999.999 99999.999 99999.999 0.3715000 0.7975000 1.2293000 1.6628000 2.0980000 2.5355000 2.9757000 3.4186000 3.8648000 4.3154000 4.7718000 5.2356000 5.7088000 6.1937000 6.6925000 7.7432000 7.9634000 8.1873000 8.4152000 8.6471000 8.8831000 9.1233000 9.3673000 9.6150000 9.8659000 10.1193000 10.3744000 10.6300000 10.8851000 11.1383000 11.3886000 11.6348000 11.8763000 12.1124000 99999.999 99999.999 0.3910000 0.8162000 1.2472000 1.6800000 2.1144000 2.5512000 2.9905000 3.4324000 3.8775000 4.3267000 4.7813000 5.2429000 5.7134000 6.1948000 6.6891000 7.7258000 7.9421000 8.1617000 8.3847000 8.6113000 8.8413000 9.0749000 9.3119000 9.5521000 9.7951000 10.0404000 10.2874000 10.5353000 10.7831000 11.0299000 11.2748000 11.5167000 11.7550000 11.9889000 12.2180000 12.4419000 0.4104000 0.8348000 1.2651000 1.6972000 2.1309000 2.5669000 3.0053000 3.4463000 3.8902000 4.3381000 4.7910000 5.2506000 5.7186000 6.1966000 6.6868000 7.7109000 7.9238000 8.1396000 8.3584000 8.5803000 8.8053000 9.0333000 9.2643000 9.4981000 9.7344000 9.9728000 10.2128000 10.4538000 10.6951000 10.9359000 11.1754000 11.4128000 11.6474000 11.8786000 12.1058000 12.3286000 0.6003000 1.0180000 1.4423000 1.8681000 2.2954000 2.7246000 3.1557000 3.5884000 4.0228000 4.4595000 4.8991000 5.3425000 5.7908000 6.2448000 6.7054000 7.6483000 7.8405000 8.0339000 8.2286000 8.4244000 8.6214000 8.8194000 9.0185000 9.2185000 9.4195000 9.6212000 9.8236000 10.0265000 10.2298000 10.4334000 10.6371000 10.8406000 11.0439000 11.2467000 11.4488000 11.6500000 0.7850000 1.1971000 1.6166000 2.0375000 2.4596000 2.8834000 3.3086000 3.7349000 4.1621000 4.5905000 5.0205000 5.4528000 5.8882000 6.3271000 6.7701000 7.6692000 7.8511000 8.0337000 8.2170000 8.4009000 8.5854000 8.7705000 8.9561000 9.1421000 9.3286000 9.5155000 9.7026000 9.8900000 10.0775000 10.2651000 10.4528000 10.6403000 10.8278000 11.0150000 11.2019000 11.3884000 0.9673000 1.3732000 1.7885000 2.2054000 2.6232000 3.0426000 3.4631000 3.8842000 4.3057000 4.7277000 5.1505000 5.5746000 6.0006000 6.4289000 6.8598000 7.7304000 7.9059000 8.0819000 8.2583000 8.4350000 8.6122000 8.7896000 8.9674000 9.1455000 9.3238000 9.5023000 9.6809000 9.8596000 10.0384000 10.2173000 10.3960000 10.5747000 10.7533000 10.9317000 11.1099000 11.2877000 1.1491000 1.5472000 1.9585000 2.3719000 2.7862000 3.2018000 3.6184000 4.0354000 4.4524000 4.8693000 5.2864000 5.7041000 6.1229000 6.5432000 6.9653000 7.8155000 7.9865000 8.1578000 8.3295000 8.5013000 8.6735000 8.8458000 9.0184000 9.1911000 9.3640000 9.5370000 9.7101000 9.8832000 10.0563000 10.2295000 10.4025000 10.5755000 10.7484000 10.9211000 11.0936000 11.2658000 1.3317000 1.7196000 2.1268000 2.5373000 2.9485000 3.3610000 3.7744000 4.1879000 4.6011000 5.0139000 5.4264000 5.8390000 6.2522000 6.6662000 7.0814000 7.9162000 8.0838000 8.2517000 8.4198000 8.5880000 8.7565000 8.9251000 9.0938000 9.2627000 9.4317000 9.6007000 9.7698000 9.9389000 10.1080000 10.2771000 10.4461000 10.6151000 10.7839000 10.9526000 11.1211000 11.2894000 1.5158000 1.8906000 2.2936000 2.7017000 3.1102000 3.5199000 3.9305000 4.3412000 4.7513000 5.1607000 5.5695000 5.9779000 6.3865000 6.7955000 7.2052000 8.0277000 8.1928000 8.3579000 8.5232000 8.6887000 8.8543000 9.0200000 9.1859000 9.3518000 9.5177000 9.6838000 9.8498000 10.0159000 10.1819000 10.3480000 10.5139000 10.6798000 10.8456000 11.0112000 11.1767000 11.3420000 1.7022000 2.0602000 2.4589000 2.8652000 3.2714000 3.6786000 4.0868000 4.4951000 4.9026000 5.3091000 5.7148000 6.1198000 6.5246000 6.9294000 7.3347000 8.1473000 8.3102000 8.4732000 8.6363000 8.7995000 8.9628000 9.1262000 9.2897000 9.4533000 9.6169000 9.7805000 9.9441000 10.1078000 10.2714000 10.4350000 10.5986000 10.7620000 10.9254000 11.0886000 11.2518000 11.4148000 99999.999 2.2282000 2.6223000 3.0278000 3.4320000 3.8370000 4.2431000 4.6493000 5.0546000 5.4588000 5.8618000 6.2640000 6.6656000 7.0670000 7.4685000 8.2729000 8.4340000 8.5952000 8.7565000 8.9179000 9.0793000 9.2408000 9.4024000 9.5640000 9.7256000 9.8873000 10.0490000 10.2107000 10.3723000 10.5339000 10.6955000 10.8570000 11.0184000 11.1797000 11.3410000 11.5020000 charge radius* mol wt. alkalinity *in actuality "ion size parameter" H+ +1 308 1.00794 1 [S] Refs: [S] Supcrt92 and later, [SA] Supcrt added here H2O 00 1. 18.0153 2 [S] [SN] In supcrt but not used; logK's added directly Cl- -1 181 35.453 3 [S] SO4-- -2 315 96.0616 4 [S] HCO3- -1 210 61.0172 1.0 5 [S] HS- -1 184 33.0720 1.0 6 [S] H4SiO4 +0 4.0 96.1154 7 [SA]Stef01 Al+++ +3 333 26.9815 8 [S] Ca++ +2 287 40.078 9 [S] Mg++ +2 254 24.312 10 [S] Fe++ +2 262 55.847 11 [S] K+ +1 227 39.102 12 [S] Na+ +1 191 22.9898 13 [S] Mn++ +2 268 54.9380 14 [S] Zn++ +2 262 65.37 15 [S] Cu+ +1 190 63.54 16 [S] Pb++ +2 308 207.19 17 [S] Ag+ +1 220 107.87 18 [S] Au+ +1 231 196.967 19 [S] Hg++ +2 298 200.59 20 [S] Sr++ +2 300 87.620 21 [S] Ba++ +2 322 137.340 22 [S] F- -1 133 18.998 23 [S] Sb(OH)3 0 400 172.756 24 [S] H2AsO3- -1 500 124.9357 25 [S] Ni++ +2 266 58.6934 26 [S] HPO4-- -2 316 95.979 1.0 27 [S] Co++ +2 262 58.9332 28 [S] MoO4-- -2 315 159.938 29 [S] UO2++ 2 500 270.03 30 [S] O2 aq. 0 999 32.000 31 [S] NH4+ +1 231 18.0386 32 [S] H3BO3 0 400 61.8331 33 [S] Ti(OH)4 0 400 115.909 34 [SA]Stef01 Ac- -1 200 59.050 1.0 35 [SN] Oxal-- -2 300 88.020 1.0 36 [SN] Suc-- -2 300 116.07 2.0 37 [SN] Mal-- -2 300 102.047 1.0 38 [SN] Pd++ +2 300 106.4 39 [S] Pt++ +2 300 195.09 40 [S] HTe- -1 200 128.608 41 [SA]RG97 Sn++ +2 300 118.69 42 [S] HSe- -1 200 79.96794 43 [S] WO4-- -2 334 247.84 44 [S] CH4,aq! 0 999 16.04 45 [S] H2,aq! 0 999 2.02 46 [S] N2,aq! 0 999 28.01 47 [S] NH3,aq! 0 999 17.030 48 [S] Sc+++ +3 333 44.9559 49 [S] Y+++ +3 333 88.9058 50 [S] La+++ +3 333 138.905 51 [S] Ce+++ +3 333 140.116 52 [S] Pr+++ +3 333 140.908 53 [S] Nd+++ +3 333 144.242 54 [S] Pm+++ +3 333 145.0 55 [S] Sm+++ +3 333 150.36 56 [S] Eu+++ +3 333 151.964 57 [S] Gd+++ +3 333 157.253 58 [S] Tb+++ +3 333 158.925 59 [S] Dy+++ +3 333 162.500 60 [S] Ho+++ +3 333 164.930 61 [S] Er+++ +3 333 167.259 62 [S] Tm+++ +3 333 168.934 63 [S] Yb+++ +3 333 173.054 64 [S] Lu+++ +3 333 174.967 65 [S] Li+ +1 164 6.938 66 [S] SiF6-2 SiF6(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 4.000 1 1.000 7 6.000 23 -4.000 2 -27.179 -26.015 -25.290 -24.832 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -27.178 -26.015 -25.290 -24.832 -24.566 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -27.177 -26.013 -25.288 -24.830 -24.564 -24.453 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -27.174 -26.010 -25.285 -24.827 -24.561 -24.449 -24.472 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -27.168 -26.005 -25.280 -24.822 -24.555 -24.443 -24.466 -24.615 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -27.159 -25.997 -25.272 -24.813 -24.547 -24.434 -24.456 -24.603 -24.875 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -27.146 -25.984 -25.259 -24.801 -24.534 -24.421 -24.441 -24.587 -24.855 -25.260 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -27.128 -25.966 -25.242 -24.783 -24.515 -24.401 -24.420 -24.563 -24.828 -25.227 -25.792 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -27.102 -25.942 -25.217 -24.758 -24.490 -24.374 -24.391 -24.530 -24.791 -25.183 -25.735 -26.503 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -27.069 -25.909 -25.185 -24.726 -24.457 -24.339 -24.352 -24.487 -24.741 -25.123 -25.661 -26.402 -27.430 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -27.026 -25.867 -25.144 -24.684 -24.413 -24.293 -24.302 -24.431 -24.677 -25.048 -25.566 -26.275 -27.247 -28.633 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.972 -25.814 -25.091 -24.631 -24.358 -24.234 -24.239 -24.361 -24.597 -24.953 -25.447 -26.117 -27.024 -28.292 -30.331 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.931 -25.774 -25.051 -24.590 -24.316 -24.190 -24.191 -24.307 -24.536 -24.881 -25.359 -26.000 -26.860 -28.047 -29.927 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.874 -25.718 -24.995 -24.533 -24.257 -24.127 -24.122 -24.232 -24.450 -24.780 -25.235 -25.840 -26.638 -27.719 -29.390 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.819 -25.663 -24.940 -24.477 -24.198 -24.065 -24.056 -24.158 -24.367 -24.683 -25.117 -25.688 -26.430 -27.418 -28.903 -29.854 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.766 -25.609 -24.886 -24.422 -24.142 -24.005 -23.991 -24.086 -24.286 -24.589 -25.003 -25.543 -26.235 -27.140 -28.462 -29.456 -30.022 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.715 -25.557 -24.833 -24.368 -24.086 -23.946 -23.927 -24.016 -24.207 -24.498 -24.893 -25.405 -26.053 -26.884 -28.062 -29.158 -29.624 -30.205 -31.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.665 -25.506 -24.781 -24.315 -24.031 -23.888 -23.865 -23.947 -24.130 -24.409 -24.788 -25.273 -25.881 -26.647 -27.699 -28.864 -29.297 -29.778 -30.363 -31.174 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.618 -25.457 -24.731 -24.264 -23.978 -23.832 -23.804 -23.880 -24.054 -24.323 -24.686 -25.148 -25.720 -26.428 -27.371 -28.589 -28.994 -29.433 -29.923 -30.502 -31.236 -32.212 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.572 -25.409 -24.682 -24.213 -23.925 -23.776 -23.744 -23.815 -23.981 -24.239 -24.588 -25.028 -25.568 -26.226 -27.076 -28.333 -28.714 -29.123 -29.566 -30.059 -30.626 -31.307 -32.145 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.527 -25.362 -24.634 -24.164 -23.874 -23.722 -23.685 -23.751 -23.909 -24.158 -24.493 -24.914 -25.426 -26.040 -26.810 -28.094 -28.455 -28.838 -29.250 -29.695 -30.186 -30.738 -31.376 -32.121 -32.987 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.485 -25.316 -24.587 -24.115 -23.823 -23.669 -23.628 -23.688 -23.839 -24.078 -24.401 -24.805 -25.291 -25.868 -26.571 -27.869 -28.212 -28.575 -28.961 -29.373 -29.818 -30.303 -30.839 -31.439 -32.115 -32.870 -33.701 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.444 -25.271 -24.541 -24.068 -23.774 -23.616 -23.572 -23.626 -23.771 -24.001 -24.311 -24.700 -25.164 -25.709 -26.358 -27.658 -27.984 -28.329 -28.694 -29.080 -29.492 -29.934 -30.410 -30.929 -31.495 -32.115 -32.787 -33.508 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.404 -25.228 -24.496 -24.021 -23.725 -23.565 -23.516 -23.566 -23.704 -23.925 -24.225 -24.599 -25.045 -25.562 -26.166 -27.457 -27.770 -28.098 -28.445 -28.810 -29.196 -29.606 -30.042 -30.508 -31.008 -31.543 -32.116 -32.724 -33.360 -34.016 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.366 -25.186 -24.451 -23.976 -23.677 -23.514 -23.462 -23.507 -23.639 -23.852 -24.141 -24.502 -24.931 -25.426 -25.994 -27.267 -27.567 -27.881 -28.211 -28.558 -28.923 -29.308 -29.714 -30.143 -30.597 -31.077 -31.584 -32.116 -32.670 -33.240 -33.818 99999.999 99999.999 99999.999 99999.999 99999.999 -26.329 -25.145 -24.408 -23.931 -23.630 -23.465 -23.409 -23.449 -23.574 -23.780 -24.060 -24.409 -24.823 -25.299 -25.839 -27.086 -27.373 -27.675 -27.990 -28.321 -28.668 -29.032 -29.414 -29.815 -30.236 -30.677 -31.137 -31.617 -32.114 -32.623 -33.138 -33.655 -34.163 99999.999 99999.999 99999.999 -26.294 -25.105 -24.366 -23.887 -23.584 -23.416 -23.357 -23.392 -23.511 -23.710 -23.981 -24.319 -24.719 -25.179 -25.698 -26.912 -27.189 -27.479 -27.781 -28.098 -28.429 -28.775 -29.137 -29.515 -29.910 -30.321 -30.748 -31.189 -31.644 -32.108 -32.579 -33.050 -33.515 -33.970 99999.999 99999.999 -26.260 -25.065 -24.325 -23.844 -23.539 -23.368 -23.306 -23.336 -23.450 -23.641 -23.903 -24.231 -24.620 -25.066 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-27.226 -27.452 -27.681 -27.913 -28.148 -25.737 -24.261 -23.394 -22.832 -22.457 -22.212 -22.065 -21.993 -21.984 -22.028 -22.119 -22.252 -22.422 -22.626 -22.859 -23.405 -23.526 -23.651 -23.780 -23.913 -24.049 -24.189 -24.334 -24.482 -24.634 -24.790 -24.950 -25.113 -25.281 -25.452 -25.627 -25.806 -25.988 -26.173 -26.362 -26.555 -25.731 -24.127 -23.203 -22.606 -22.206 -21.938 -21.768 -21.672 -21.636 -21.650 -21.706 -21.801 -21.928 -22.086 -22.271 -22.710 -22.808 -22.910 -23.015 -23.123 -23.234 -23.348 -23.466 -23.587 -23.711 -23.839 -23.969 -24.103 -24.241 -24.381 -24.525 -24.672 -24.822 -24.975 -25.132 -25.292 -25.779 -24.038 -23.051 -22.417 -21.989 -21.699 -21.507 -21.389 -21.329 -21.317 -21.344 -21.406 -21.498 -21.618 -21.762 -22.114 -22.194 -22.277 -22.362 -22.451 -22.542 -22.636 -22.733 -22.832 -22.935 -23.040 -23.149 -23.260 -23.374 -23.491 -23.611 -23.733 -23.859 -23.988 -24.119 -24.254 -25.872 -23.985 -22.933 -22.259 -21.803 -21.489 -21.276 -21.137 -21.056 -21.020 -21.023 -21.057 -21.119 -21.206 -21.316 -21.595 -21.659 -21.726 -21.796 -21.868 -21.943 -22.021 -22.101 -22.183 -22.268 -22.356 -22.446 -22.539 -22.635 -22.733 -22.834 -22.938 -23.044 -23.153 -23.265 -23.379 -26.004 -23.964 -22.843 -22.127 -21.642 -21.305 -21.071 -20.913 -20.811 -20.755 -20.735 -20.745 -20.781 -20.841 -20.921 -21.137 -21.189 -21.243 -21.299 -21.358 -21.419 -21.482 -21.548 -21.617 -21.687 -21.760 -21.836 -21.914 -21.995 -22.078 -22.163 -22.251 -22.342 -22.435 -22.531 -22.630 99999.999 -23.970 -22.777 -22.020 -21.504 -21.142 -20.888 -20.711 -20.591 -20.516 -20.476 -20.465 -20.479 -20.514 -20.569 -20.731 -20.771 -20.813 -20.858 -20.905 -20.954 -21.006 -21.060 -21.116 -21.175 -21.236 -21.299 -21.365 -21.433 -21.503 -21.576 -21.652 -21.729 -21.810 -21.893 -21.978 HSiO3- HSiO3(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 3 -1.000 1 -1.000 2 1.000 7 10.286 9.845 9.495 9.233 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.286 9.845 9.495 9.233 9.048 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.285 9.845 9.494 9.233 9.047 8.928 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.283 9.843 9.493 9.232 9.046 8.927 8.864 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.280 9.841 9.492 9.230 9.045 8.925 8.862 8.849 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.276 9.838 9.489 9.227 9.042 8.923 8.860 8.846 8.878 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.269 9.832 9.484 9.223 9.039 8.919 8.856 8.843 8.874 8.948 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.259 9.825 9.478 9.218 9.034 8.914 8.851 8.837 8.868 8.942 9.062 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.246 9.815 9.469 9.210 9.026 8.907 8.844 8.830 8.860 8.933 9.051 9.222 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.227 9.800 9.457 9.199 9.016 8.898 8.835 8.820 8.850 8.921 9.037 9.203 9.438 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.203 9.782 9.441 9.185 9.003 8.885 8.822 8.808 8.836 8.906 9.018 9.179 9.403 9.728 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.171 9.757 9.421 9.166 8.986 8.869 8.806 8.791 8.819 8.887 8.995 9.150 9.361 9.658 10.158 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.146 9.738 9.404 9.152 8.972 8.856 8.793 8.778 8.805 8.872 8.978 9.127 9.330 9.609 10.052 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.110 9.710 9.380 9.131 8.953 8.837 8.775 8.759 8.785 8.850 8.953 9.097 9.288 9.546 9.933 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.074 9.682 9.356 9.109 8.933 8.818 8.756 8.740 8.766 8.829 8.929 9.067 9.249 9.488 9.834 11.040 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.037 9.653 9.332 9.087 8.912 8.799 8.737 8.721 8.746 8.808 8.905 9.038 9.211 9.436 9.749 10.419 10.818 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.999 9.624 9.307 9.065 8.892 8.779 8.718 8.702 8.726 8.787 8.881 9.010 9.176 9.387 9.673 10.232 10.460 10.778 11.255 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.962 9.595 9.282 9.042 8.871 8.759 8.699 8.683 8.707 8.766 8.858 8.983 9.143 9.342 9.604 10.116 10.291 10.505 10.781 11.149 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.924 9.565 9.256 9.019 8.850 8.739 8.680 8.664 8.687 8.745 8.836 8.957 9.111 9.300 9.543 10.027 10.176 10.348 10.553 10.802 11.110 11.489 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.885 9.535 9.230 8.996 8.828 8.719 8.660 8.644 8.667 8.724 8.813 8.932 9.080 9.261 9.487 9.954 10.088 10.236 10.405 10.601 10.830 11.101 11.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.847 9.504 9.204 8.973 8.807 8.699 8.640 8.625 8.647 8.704 8.791 8.907 9.051 9.224 9.437 9.891 10.014 10.148 10.296 10.462 10.649 10.863 11.107 11.384 11.692 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.808 9.473 9.178 8.949 8.785 8.678 8.620 8.605 8.628 8.683 8.769 8.882 9.022 9.190 9.391 9.835 9.949 10.073 10.207 10.354 10.517 10.697 10.898 11.122 11.369 11.639 11.926 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.768 9.442 9.151 8.925 8.763 8.657 8.600 8.585 8.608 8.663 8.747 8.858 8.995 9.157 9.349 9.784 9.892 10.008 10.132 10.266 10.412 10.570 10.744 10.934 11.142 11.367 11.607 11.860 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.729 9.411 9.124 8.901 8.741 8.636 8.580 8.565 8.588 8.642 8.725 8.835 8.969 9.127 9.310 9.737 9.840 9.949 10.066 10.190 10.324 10.468 10.623 10.791 10.971 11.165 11.372 11.590 11.816 12.048 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.689 9.379 9.097 8.876 8.718 8.615 8.559 8.545 8.568 8.622 8.704 8.812 8.943 9.098 9.275 9.693 9.792 9.896 10.006 10.124 10.248 10.381 10.523 10.674 10.836 11.008 11.191 11.383 11.582 11.788 11.997 99999.999 99999.999 99999.999 99999.999 99999.999 9.649 9.347 9.069 8.852 8.695 8.593 8.539 8.525 8.547 8.601 8.683 8.789 8.919 9.070 9.242 9.652 9.747 9.847 9.952 10.063 10.181 10.305 10.437 10.577 10.724 10.881 11.045 11.218 11.397 11.581 11.770 11.961 12.152 99999.999 99999.999 99999.999 9.608 9.315 9.041 8.827 8.672 8.572 8.518 8.505 8.527 8.581 8.661 8.767 8.895 9.043 9.212 9.613 9.705 9.801 9.902 10.009 10.120 10.238 10.362 10.492 10.629 10.773 10.924 11.082 11.245 11.414 11.586 11.761 11.936 12.111 99999.999 99999.999 9.568 9.282 9.013 8.802 8.649 8.550 8.497 8.485 8.507 8.560 8.640 8.745 8.871 9.017 9.183 9.576 9.665 9.758 9.856 9.958 10.065 10.177 10.294 10.417 10.546 10.681 10.821 10.967 11.118 11.273 11.432 11.594 11.757 11.920 12.082 12.241 9.527 9.250 8.985 8.776 8.626 8.528 8.476 8.464 8.487 8.540 8.619 8.723 8.847 8.992 9.155 9.540 9.627 9.717 9.812 9.910 10.013 10.121 10.233 10.350 10.472 10.599 10.731 10.867 11.008 11.154 11.302 11.453 11.605 11.758 11.911 12.061 9.104 8.909 8.690 8.511 8.382 8.300 8.259 8.254 8.280 8.333 8.410 8.508 8.624 8.756 8.902 9.236 9.309 9.384 9.461 9.540 9.622 9.705 9.791 9.878 9.968 10.060 10.154 10.249 10.347 10.446 10.547 10.649 10.753 10.858 10.964 11.070 8.662 8.549 8.377 8.229 8.123 8.058 8.030 8.034 8.067 8.124 8.202 8.298 8.410 8.536 8.675 8.984 9.051 9.119 9.188 9.259 9.331 9.405 9.480 9.557 9.635 9.714 9.794 9.876 9.959 10.043 10.128 10.214 10.302 10.390 10.479 10.568 8.204 8.174 8.048 7.933 7.851 7.804 7.791 7.807 7.847 7.910 7.991 8.089 8.201 8.325 8.460 8.756 8.819 8.883 8.949 9.016 9.083 9.152 9.222 9.292 9.364 9.437 9.510 9.585 9.660 9.737 9.814 9.892 9.971 10.050 10.130 10.211 7.733 7.785 7.708 7.626 7.569 7.542 7.544 7.572 7.622 7.692 7.779 7.880 7.993 8.118 8.251 8.542 8.603 8.665 8.728 8.792 8.857 8.923 8.990 9.057 9.126 9.194 9.264 9.335 9.406 9.478 9.550 9.623 9.697 9.771 9.846 9.922 7.251 7.386 7.357 7.310 7.278 7.272 7.290 7.331 7.393 7.471 7.564 7.670 7.787 7.913 8.047 8.336 8.396 8.457 8.519 8.582 8.646 8.710 8.775 8.840 8.906 8.973 9.040 9.108 9.177 9.246 9.315 9.386 9.456 9.527 9.599 9.671 6.760 6.977 6.998 6.986 6.981 6.995 7.030 7.086 7.158 7.246 7.347 7.458 7.579 7.709 7.845 8.135 8.195 8.256 8.318 8.380 8.443 8.506 8.570 8.635 8.700 8.765 8.831 8.898 8.965 9.032 9.100 9.168 9.237 9.306 9.376 9.445 6.260 6.560 6.631 6.654 6.676 6.712 6.765 6.835 6.920 7.018 7.127 7.245 7.372 7.505 7.645 7.938 7.999 8.060 8.122 8.184 8.247 8.310 8.373 8.437 8.502 8.567 8.632 8.698 8.764 8.831 8.897 8.965 9.032 9.100 9.168 9.237 99999.999 6.135 6.258 6.317 6.366 6.424 6.496 6.581 6.678 6.787 6.905 7.031 7.163 7.302 7.445 7.744 7.805 7.867 7.929 7.992 8.055 8.118 8.182 8.246 8.311 8.375 8.441 8.506 8.572 8.638 8.704 8.771 8.838 8.906 8.973 9.041 Ca(HSiO3)+ Ca(HSiO3)(1) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 4 -1.000 1 1.000 9 -1.000 2 1.000 7 9.253 8.835 8.414 8.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.253 8.835 8.414 8.029 7.684 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.252 8.835 8.414 8.028 7.684 7.378 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.251 8.834 8.413 8.028 7.684 7.378 7.105 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.249 8.832 8.411 8.026 7.683 7.377 7.104 6.858 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.245 8.829 8.409 8.025 7.681 7.376 7.103 6.857 6.633 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.240 8.825 8.406 8.022 7.679 7.374 7.101 6.856 6.632 6.424 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.233 8.820 8.401 8.018 7.675 7.371 7.099 6.854 6.631 6.424 6.226 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.223 8.812 8.394 8.012 7.670 7.367 7.096 6.852 6.629 6.423 6.227 6.034 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.209 8.801 8.385 8.004 7.664 7.361 7.091 6.848 6.627 6.422 6.228 6.037 5.843 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.190 8.786 8.373 7.994 7.655 7.354 7.085 6.843 6.624 6.421 6.228 6.041 5.851 5.654 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.165 8.767 8.357 7.980 7.643 7.344 7.077 6.837 6.619 6.418 6.228 6.045 5.860 5.668 5.469 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.145 8.751 8.344 7.969 7.633 7.335 7.070 6.831 6.615 6.415 6.228 6.047 5.867 5.680 5.470 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.117 8.728 8.325 7.952 7.619 7.323 7.060 6.823 6.609 6.411 6.227 6.050 5.876 5.696 5.490 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.087 8.705 8.305 7.936 7.605 7.311 7.049 6.814 6.602 6.407 6.225 6.052 5.883 5.711 5.515 6.048 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.057 8.681 8.285 7.918 7.589 7.298 7.038 6.805 6.594 6.402 6.223 6.053 5.889 5.725 5.540 5.637 5.783 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.026 8.656 8.264 7.900 7.574 7.284 7.026 6.795 6.587 6.396 6.219 6.053 5.894 5.736 5.564 5.543 5.578 5.657 5.768 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.994 8.631 8.243 7.882 7.558 7.270 7.014 6.785 6.578 6.390 6.216 6.053 5.898 5.746 5.585 5.506 5.505 5.525 5.571 5.634 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.962 8.605 8.221 7.863 7.541 7.255 7.001 6.774 6.569 6.383 6.211 6.051 5.900 5.754 5.603 5.487 5.472 5.468 5.478 5.504 5.540 5.571 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.929 8.579 8.199 7.843 7.524 7.241 6.988 6.763 6.560 6.376 6.206 6.049 5.902 5.761 5.619 5.478 5.454 5.438 5.431 5.434 5.448 5.467 5.485 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.896 8.552 8.176 7.824 7.507 7.225 6.975 6.752 6.551 6.368 6.201 6.046 5.902 5.766 5.631 5.473 5.445 5.422 5.405 5.396 5.394 5.399 5.408 5.416 5.420 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.862 8.525 8.153 7.803 7.489 7.210 6.961 6.740 6.541 6.360 6.195 6.043 5.901 5.769 5.641 5.470 5.439 5.413 5.391 5.374 5.362 5.356 5.355 5.357 5.360 5.360 5.356 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.827 8.497 8.129 7.783 7.471 7.194 6.947 6.728 6.530 6.352 6.188 6.038 5.900 5.771 5.649 5.468 5.437 5.408 5.382 5.360 5.343 5.329 5.321 5.316 5.313 5.312 5.310 5.306 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.792 8.469 8.105 7.762 7.452 7.177 6.933 6.715 6.520 6.343 6.182 6.034 5.897 5.771 5.654 5.468 5.435 5.405 5.377 5.352 5.331 5.313 5.298 5.288 5.280 5.274 5.270 5.267 5.263 5.258 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.757 8.440 8.081 7.740 7.433 7.160 6.918 6.702 6.508 6.333 6.174 6.028 5.894 5.771 5.656 5.467 5.434 5.403 5.374 5.347 5.323 5.302 5.284 5.269 5.257 5.247 5.240 5.234 5.229 5.225 5.222 99999.999 99999.999 99999.999 99999.999 99999.999 8.721 8.411 8.056 7.718 7.414 7.143 6.903 6.689 6.497 6.324 6.166 6.022 5.890 5.769 5.657 5.467 5.434 5.402 5.372 5.344 5.319 5.296 5.275 5.257 5.241 5.228 5.217 5.209 5.202 5.196 5.192 5.190 5.189 99999.999 99999.999 99999.999 8.684 8.382 8.030 7.696 7.394 7.126 6.887 6.675 6.485 6.314 6.158 6.016 5.886 5.766 5.657 5.467 5.434 5.402 5.371 5.343 5.316 5.291 5.269 5.248 5.230 5.215 5.201 5.190 5.180 5.173 5.167 5.163 5.162 5.162 99999.999 99999.999 8.647 8.352 8.005 7.674 7.374 7.108 6.872 6.661 6.473 6.303 6.149 6.009 5.881 5.763 5.655 5.467 5.433 5.401 5.371 5.342 5.315 5.289 5.265 5.243 5.223 5.205 5.190 5.176 5.164 5.155 5.147 5.141 5.138 5.136 5.137 5.140 8.609 8.321 7.979 7.651 7.354 7.090 6.855 6.647 6.461 6.293 6.140 6.002 5.875 5.759 5.652 5.466 5.433 5.401 5.371 5.342 5.314 5.288 5.263 5.240 5.219 5.199 5.182 5.166 5.152 5.141 5.131 5.123 5.118 5.114 5.113 5.114 8.211 7.997 7.700 7.405 7.134 6.893 6.679 6.489 6.320 6.170 6.034 5.912 5.801 5.700 5.608 5.447 5.418 5.390 5.363 5.336 5.311 5.286 5.262 5.238 5.216 5.194 5.173 5.152 5.133 5.114 5.096 5.079 5.062 5.047 5.033 5.019 7.777 7.642 7.392 7.132 6.890 6.672 6.478 6.308 6.156 6.022 5.903 5.796 5.700 5.613 5.535 5.400 5.375 5.352 5.330 5.308 5.287 5.266 5.246 5.227 5.208 5.190 5.172 5.155 5.138 5.121 5.105 5.090 5.074 5.060 5.045 5.031 7.315 7.261 7.061 6.838 6.625 6.431 6.259 6.108 5.974 5.856 5.752 5.660 5.578 5.505 5.440 5.329 5.310 5.291 5.273 5.256 5.239 5.223 5.208 5.193 5.178 5.164 5.150 5.137 5.124 5.111 5.099 5.087 5.075 5.063 5.052 5.041 6.829 6.860 6.712 6.526 6.343 6.175 6.025 5.892 5.776 5.675 5.587 5.509 5.441 5.381 5.328 5.241 5.226 5.211 5.198 5.185 5.172 5.161 5.149 5.138 5.128 5.118 5.108 5.099 5.090 5.081 5.072 5.064 5.056 5.048 5.040 5.032 6.324 6.441 6.347 6.200 6.048 5.906 5.778 5.665 5.567 5.481 5.408 5.344 5.290 5.243 5.202 5.137 5.127 5.117 5.107 5.098 5.090 5.082 5.074 5.067 5.061 5.055 5.049 5.043 5.038 5.032 5.027 5.023 5.018 5.014 5.009 5.005 5.803 6.008 5.968 5.861 5.741 5.625 5.519 5.427 5.346 5.277 5.219 5.169 5.128 5.093 5.064 5.021 5.015 5.009 5.003 4.998 4.994 4.990 4.986 4.983 4.980 4.977 4.975 4.973 4.971 4.969 4.968 4.966 4.965 4.964 4.963 4.962 5.269 5.563 5.578 5.512 5.423 5.334 5.252 5.179 5.117 5.064 5.021 4.985 4.956 4.934 4.917 4.895 4.893 4.891 4.889 4.888 4.887 4.887 4.887 4.887 4.888 4.888 4.889 4.891 4.892 4.894 4.895 4.897 4.899 4.901 4.903 4.905 99999.999 5.107 5.177 5.153 5.097 5.035 4.976 4.924 4.880 4.843 4.815 4.793 4.777 4.767 4.761 4.760 4.762 4.763 4.766 4.768 4.771 4.774 4.778 4.781 4.785 4.789 4.794 4.798 4.803 4.807 4.812 4.817 4.822 4.827 4.832 4.837 Mg(HSiO3)+ Mg(HSiO3)(1) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 4 -1.000 1 1.000 10 -1.000 2 1.000 7 8.929 8.585 8.221 7.886 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.929 8.585 8.221 7.886 7.589 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.929 8.585 8.221 7.886 7.589 7.328 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.927 8.584 8.220 7.885 7.588 7.327 7.098 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.925 8.582 8.219 7.884 7.587 7.327 7.097 6.894 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.921 8.579 8.217 7.882 7.586 7.325 7.096 6.893 6.710 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.916 8.575 8.213 7.880 7.583 7.323 7.095 6.892 6.709 6.542 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.908 8.569 8.208 7.876 7.580 7.321 7.092 6.890 6.708 6.542 6.384 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.897 8.561 8.202 7.870 7.575 7.317 7.089 6.888 6.707 6.541 6.385 6.231 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.883 8.550 8.193 7.862 7.569 7.311 7.085 6.884 6.705 6.540 6.386 6.234 6.077 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.863 8.535 8.180 7.852 7.560 7.304 7.079 6.880 6.701 6.539 6.386 6.238 6.085 5.922 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.837 8.515 8.164 7.838 7.548 7.294 7.071 6.873 6.697 6.536 6.387 6.242 6.095 5.938 5.761 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.816 8.499 8.151 7.827 7.539 7.286 7.064 6.868 6.693 6.534 6.386 6.244 6.102 5.951 5.770 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.786 8.476 8.132 7.811 7.525 7.274 7.054 6.860 6.687 6.530 6.385 6.247 6.111 5.967 5.794 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.755 8.452 8.112 7.794 7.510 7.262 7.043 6.851 6.680 6.526 6.384 6.249 6.118 5.982 5.821 6.176 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.723 8.427 8.092 7.776 7.495 7.249 7.032 6.842 6.673 6.521 6.381 6.251 6.124 5.996 5.847 5.917 6.004 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.691 8.402 8.071 7.759 7.480 7.235 7.021 6.832 6.665 6.515 6.378 6.251 6.129 6.007 5.870 5.858 5.876 5.920 5.969 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.658 8.377 8.049 7.740 7.464 7.221 7.009 6.822 6.657 6.509 6.375 6.250 6.133 6.017 5.891 5.837 5.833 5.841 5.863 5.887 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.624 8.350 8.027 7.721 7.448 7.207 6.997 6.812 6.649 6.503 6.370 6.249 6.135 6.025 5.909 5.829 5.815 5.808 5.810 5.819 5.829 5.827 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.590 8.324 8.005 7.702 7.431 7.192 6.984 6.801 6.640 6.496 6.366 6.247 6.137 6.032 5.924 5.827 5.808 5.794 5.785 5.782 5.783 5.785 5.779 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.555 8.296 7.982 7.682 7.414 7.177 6.971 6.790 6.630 6.488 6.360 6.244 6.137 6.037 5.937 5.826 5.805 5.788 5.773 5.763 5.757 5.753 5.749 5.741 5.725 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.520 8.269 7.959 7.662 7.396 7.162 6.957 6.778 6.621 6.480 6.355 6.241 6.137 6.040 5.947 5.827 5.805 5.785 5.768 5.754 5.742 5.734 5.727 5.720 5.711 5.696 5.676 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.484 8.240 7.935 7.642 7.378 7.146 6.944 6.766 6.610 6.472 6.348 6.237 6.135 6.042 5.954 5.829 5.806 5.785 5.766 5.750 5.735 5.723 5.713 5.704 5.696 5.686 5.673 5.657 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.447 8.212 7.911 7.621 7.359 7.130 6.929 6.754 6.600 6.463 6.341 6.232 6.133 6.043 5.959 5.831 5.808 5.786 5.767 5.748 5.732 5.718 5.706 5.695 5.685 5.675 5.665 5.654 5.641 5.626 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.410 8.183 7.886 7.599 7.341 7.113 6.915 6.741 6.589 6.454 6.334 6.227 6.130 6.042 5.962 5.833 5.810 5.788 5.768 5.749 5.732 5.716 5.702 5.689 5.678 5.668 5.658 5.648 5.638 5.628 5.617 99999.999 99999.999 99999.999 99999.999 99999.999 8.373 8.153 7.861 7.577 7.322 7.096 6.900 6.728 6.578 6.445 6.327 6.221 6.126 6.041 5.963 5.834 5.811 5.790 5.769 5.750 5.732 5.716 5.701 5.687 5.675 5.663 5.653 5.643 5.634 5.625 5.617 5.609 5.602 99999.999 99999.999 99999.999 8.335 8.123 7.836 7.555 7.302 7.079 6.885 6.715 6.566 6.435 6.319 6.215 6.122 6.038 5.963 5.835 5.813 5.792 5.771 5.752 5.734 5.717 5.701 5.687 5.673 5.661 5.650 5.640 5.631 5.623 5.615 5.609 5.603 5.598 99999.999 99999.999 8.296 8.092 7.810 7.533 7.282 7.062 6.869 6.701 6.554 6.425 6.310 6.208 6.117 6.035 5.961 5.836 5.814 5.793 5.773 5.754 5.736 5.719 5.703 5.688 5.674 5.661 5.650 5.639 5.629 5.621 5.613 5.607 5.602 5.598 5.596 5.595 8.257 8.061 7.784 7.510 7.262 7.044 6.853 6.687 6.542 6.414 6.301 6.201 6.111 6.031 5.959 5.837 5.815 5.795 5.775 5.756 5.738 5.721 5.705 5.690 5.676 5.662 5.650 5.639 5.629 5.620 5.613 5.606 5.601 5.597 5.595 5.594 7.844 7.732 7.503 7.264 7.044 6.849 6.679 6.531 6.404 6.293 6.197 6.113 6.039 5.974 5.918 5.824 5.807 5.792 5.777 5.763 5.749 5.736 5.723 5.711 5.700 5.688 5.678 5.667 5.658 5.648 5.640 5.632 5.624 5.617 5.611 5.605 7.395 7.371 7.194 6.992 6.800 6.629 6.480 6.352 6.242 6.148 6.068 5.999 5.940 5.889 5.846 5.779 5.768 5.757 5.748 5.739 5.730 5.722 5.714 5.707 5.700 5.693 5.687 5.681 5.675 5.670 5.665 5.660 5.655 5.651 5.647 5.643 6.918 6.984 6.861 6.698 6.537 6.391 6.263 6.154 6.062 5.984 5.919 5.865 5.820 5.783 5.753 5.710 5.704 5.699 5.693 5.689 5.685 5.681 5.678 5.676 5.673 5.671 5.669 5.668 5.666 5.665 5.664 5.664 5.663 5.662 5.662 5.662 6.417 6.577 6.510 6.386 6.256 6.136 6.031 5.941 5.866 5.805 5.755 5.715 5.684 5.660 5.643 5.623 5.622 5.620 5.620 5.620 5.620 5.621 5.622 5.623 5.625 5.627 5.629 5.632 5.635 5.637 5.640 5.644 5.647 5.650 5.654 5.657 5.898 6.153 6.142 6.060 5.962 5.868 5.785 5.716 5.659 5.614 5.579 5.553 5.535 5.524 5.518 5.521 5.524 5.527 5.530 5.534 5.538 5.543 5.548 5.554 5.559 5.565 5.571 5.578 5.584 5.591 5.597 5.604 5.611 5.618 5.625 5.632 5.361 5.714 5.761 5.721 5.656 5.589 5.529 5.480 5.441 5.412 5.392 5.380 5.375 5.376 5.382 5.407 5.413 5.420 5.428 5.436 5.444 5.452 5.461 5.470 5.480 5.489 5.499 5.509 5.519 5.529 5.539 5.549 5.559 5.570 5.580 5.590 4.812 5.262 5.369 5.371 5.339 5.300 5.264 5.234 5.213 5.201 5.196 5.198 5.206 5.219 5.236 5.282 5.293 5.304 5.315 5.326 5.338 5.350 5.363 5.375 5.388 5.401 5.414 5.427 5.441 5.454 5.467 5.481 5.494 5.508 5.521 5.534 99999.999 4.800 4.967 5.012 5.014 5.002 4.990 4.981 4.978 4.982 4.992 5.008 5.028 5.053 5.082 5.149 5.163 5.178 5.193 5.208 5.223 5.239 5.255 5.271 5.287 5.303 5.320 5.336 5.352 5.369 5.385 5.402 5.418 5.434 5.450 5.467 NaHSiO3,aq NaHSiO3(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 -1.000 1 1.000 13 -1.000 2 1.000 7 8.070 8.014 7.935 7.872 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.070 8.014 7.935 7.872 7.832 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.069 8.014 7.935 7.871 7.831 7.814 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.068 8.013 7.934 7.871 7.831 7.813 7.815 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.066 8.011 7.933 7.870 7.830 7.813 7.814 7.831 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.063 8.009 7.931 7.868 7.829 7.811 7.813 7.830 7.857 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.058 8.005 7.928 7.865 7.826 7.810 7.812 7.829 7.857 7.891 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.051 8.000 7.923 7.862 7.823 7.807 7.810 7.827 7.855 7.891 7.928 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.042 7.993 7.917 7.857 7.819 7.803 7.807 7.825 7.854 7.890 7.928 7.963 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.029 7.983 7.909 7.850 7.813 7.798 7.802 7.821 7.851 7.888 7.928 7.965 7.991 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.012 7.970 7.898 7.840 7.805 7.791 7.797 7.817 7.848 7.886 7.927 7.967 7.997 8.006 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.989 7.952 7.884 7.828 7.794 7.782 7.789 7.810 7.843 7.883 7.926 7.969 8.004 8.022 7.990 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.970 7.938 7.872 7.818 7.786 7.775 7.782 7.805 7.838 7.880 7.925 7.970 8.008 8.032 8.015 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.943 7.917 7.854 7.803 7.773 7.763 7.773 7.797 7.832 7.875 7.922 7.970 8.013 8.045 8.044 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.916 7.895 7.836 7.787 7.759 7.752 7.763 7.788 7.825 7.870 7.919 7.970 8.017 8.055 8.067 8.075 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.888 7.873 7.818 7.771 7.745 7.740 7.752 7.779 7.818 7.864 7.916 7.969 8.020 8.064 8.087 8.180 8.147 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.859 7.851 7.799 7.755 7.731 7.727 7.741 7.770 7.810 7.858 7.912 7.967 8.022 8.071 8.103 8.214 8.212 8.191 8.135 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.829 7.827 7.779 7.738 7.716 7.714 7.730 7.760 7.802 7.852 7.907 7.965 8.023 8.076 8.117 8.236 8.244 8.243 8.230 8.196 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.799 7.803 7.759 7.721 7.701 7.700 7.718 7.750 7.793 7.844 7.902 7.962 8.023 8.080 8.128 8.253 8.266 8.274 8.276 8.268 8.246 8.205 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.768 7.779 7.738 7.703 7.685 7.687 7.706 7.739 7.784 7.837 7.896 7.958 8.022 8.083 8.137 8.266 8.282 8.296 8.305 8.309 8.305 8.291 8.265 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.737 7.754 7.717 7.684 7.669 7.672 7.693 7.728 7.774 7.829 7.890 7.954 8.020 8.085 8.145 8.276 8.296 8.313 8.327 8.337 8.343 8.343 8.335 8.319 8.294 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.705 7.729 7.696 7.665 7.652 7.658 7.680 7.717 7.764 7.821 7.883 7.949 8.018 8.086 8.150 8.285 8.306 8.326 8.344 8.359 8.370 8.378 8.381 8.378 8.369 8.354 8.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.672 7.703 7.674 7.646 7.635 7.642 7.667 7.705 7.754 7.812 7.876 7.944 8.014 8.085 8.153 8.292 8.315 8.337 8.358 8.376 8.392 8.404 8.414 8.419 8.421 8.418 8.410 8.399 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.639 7.676 7.651 7.627 7.618 7.627 7.653 7.693 7.744 7.803 7.869 7.938 8.011 8.084 8.155 8.297 8.323 8.347 8.369 8.390 8.409 8.425 8.439 8.451 8.459 8.464 8.465 8.464 8.460 8.455 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.605 7.649 7.628 7.607 7.600 7.611 7.639 7.680 7.733 7.794 7.861 7.932 8.006 8.082 8.156 8.302 8.329 8.354 8.378 8.401 8.423 8.442 8.460 8.475 8.488 8.499 8.507 8.512 8.516 8.518 8.519 99999.999 99999.999 99999.999 99999.999 99999.999 7.571 7.622 7.605 7.586 7.582 7.595 7.624 7.667 7.721 7.784 7.852 7.925 8.001 8.079 8.156 8.305 8.333 8.360 8.386 8.411 8.435 8.456 8.477 8.495 8.512 8.527 8.539 8.550 8.559 8.567 8.574 8.580 8.586 99999.999 99999.999 99999.999 7.536 7.594 7.581 7.566 7.564 7.579 7.610 7.654 7.710 7.774 7.844 7.918 7.996 8.075 8.154 8.308 8.337 8.366 8.393 8.419 8.444 8.468 8.491 8.512 8.531 8.549 8.566 8.581 8.594 8.606 8.617 8.628 8.639 8.649 99999.999 99999.999 7.501 7.566 7.557 7.544 7.545 7.562 7.595 7.641 7.698 7.763 7.835 7.911 7.990 8.071 8.152 8.310 8.340 8.370 8.398 8.426 8.453 8.478 8.503 8.526 8.548 8.569 8.588 8.606 8.622 8.638 8.653 8.667 8.681 8.695 8.710 8.725 7.466 7.538 7.533 7.523 7.526 7.545 7.579 7.627 7.686 7.753 7.826 7.903 7.984 8.066 8.149 8.311 8.342 8.373 8.403 8.432 8.460 8.487 8.513 8.538 8.562 8.585 8.606 8.627 8.646 8.665 8.683 8.700 8.717 8.734 8.751 8.769 7.086 7.231 7.270 7.291 7.318 7.358 7.411 7.475 7.549 7.630 7.718 7.809 7.904 8.001 8.098 8.294 8.332 8.371 8.409 8.446 8.483 8.520 8.557 8.593 8.628 8.663 8.697 8.731 8.765 8.798 8.830 8.862 8.894 8.925 8.957 8.987 6.670 6.892 6.977 7.032 7.086 7.147 7.219 7.300 7.390 7.486 7.587 7.691 7.799 7.908 8.019 8.240 8.284 8.328 8.371 8.414 8.458 8.500 8.543 8.585 8.627 8.668 8.709 8.750 8.790 8.830 8.869 8.909 8.947 8.986 9.024 9.061 6.226 6.528 6.662 6.751 6.833 6.917 7.009 7.107 7.212 7.323 7.438 7.555 7.675 7.797 7.919 8.162 8.211 8.259 8.307 8.355 8.403 8.450 8.497 8.544 8.591 8.637 8.683 8.728 8.773 8.818 8.862 8.907 8.950 8.994 9.036 9.079 5.758 6.144 6.327 6.453 6.563 6.671 6.783 6.900 7.021 7.146 7.274 7.405 7.537 7.670 7.803 8.067 8.120 8.172 8.224 8.276 8.328 8.379 8.430 8.481 8.532 8.582 8.632 8.681 8.730 8.779 8.827 8.875 8.923 8.970 9.017 9.064 5.271 5.741 5.977 6.140 6.280 6.412 6.545 6.680 6.817 6.957 7.099 7.242 7.386 7.530 7.674 7.958 8.015 8.071 8.127 8.182 8.238 8.293 8.347 8.402 8.456 8.510 8.563 8.616 8.668 8.721 8.773 8.824 8.875 8.926 8.976 9.026 4.767 5.324 5.613 5.814 5.984 6.142 6.296 6.450 6.604 6.759 6.914 7.070 7.226 7.381 7.535 7.839 7.899 7.958 8.018 8.077 8.136 8.194 8.252 8.310 8.367 8.424 8.481 8.537 8.593 8.648 8.703 8.757 8.812 8.865 8.918 8.971 4.249 4.894 5.237 5.478 5.679 5.862 6.038 6.211 6.381 6.551 6.721 6.889 7.056 7.222 7.387 7.709 7.773 7.836 7.899 7.962 8.024 8.085 8.147 8.207 8.268 8.328 8.388 8.447 8.505 8.564 8.622 8.679 8.736 8.792 8.848 8.904 99999.999 4.454 4.851 5.132 5.364 5.574 5.772 5.964 6.151 6.337 6.520 6.701 6.880 7.057 7.231 7.573 7.640 7.706 7.772 7.838 7.903 7.968 8.033 8.097 8.160 8.223 8.285 8.347 8.409 8.470 8.531 8.591 8.650 8.709 8.768 8.826 Ag(CO3)- Ag(CO3)(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 3 -1.000 1 1.000 18 1.000 5 7.527 7.642 7.752 7.859 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.527 7.642 7.752 7.859 7.964 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.527 7.641 7.751 7.859 7.964 8.066 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.526 7.640 7.750 7.858 7.963 8.066 8.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.524 7.638 7.748 7.856 7.961 8.064 8.165 8.264 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.521 7.635 7.746 7.853 7.959 8.062 8.163 8.262 8.359 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.517 7.631 7.742 7.849 7.955 8.058 8.159 8.259 8.356 8.452 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.511 7.625 7.736 7.844 7.949 8.053 8.154 8.254 8.351 8.447 8.542 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.503 7.617 7.727 7.836 7.942 8.046 8.147 8.247 8.345 8.441 8.536 8.629 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.492 7.605 7.716 7.825 7.932 8.036 8.138 8.238 8.336 8.433 8.528 8.621 8.712 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.478 7.591 7.702 7.811 7.918 8.023 8.126 8.227 8.325 8.422 8.517 8.611 8.702 8.785 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.459 7.571 7.683 7.793 7.901 8.007 8.110 8.211 8.311 8.408 8.503 8.597 8.689 8.775 8.834 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.445 7.556 7.668 7.779 7.888 7.994 8.098 8.200 8.299 8.397 8.493 8.586 8.678 8.766 8.842 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.424 7.535 7.647 7.759 7.869 7.976 8.080 8.183 8.283 8.381 8.477 8.571 8.663 8.752 8.837 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.402 7.513 7.626 7.739 7.849 7.957 8.063 8.166 8.267 8.365 8.462 8.556 8.648 8.738 8.826 8.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.381 7.491 7.605 7.719 7.830 7.939 8.045 8.149 8.251 8.350 8.447 8.541 8.633 8.722 8.811 8.739 8.609 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.360 7.469 7.584 7.698 7.811 7.920 8.028 8.132 8.234 8.334 8.431 8.526 8.618 8.707 8.796 8.810 8.772 8.694 8.569 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.338 7.447 7.563 7.678 7.791 7.902 8.010 8.115 8.218 8.318 8.416 8.511 8.603 8.692 8.780 8.837 8.828 8.801 8.749 8.671 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.316 7.425 7.541 7.658 7.772 7.884 7.992 8.099 8.202 8.303 8.401 8.496 8.588 8.677 8.764 8.848 8.853 8.847 8.828 8.792 8.740 8.678 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.294 7.403 7.520 7.637 7.753 7.865 7.975 8.082 8.186 8.287 8.386 8.481 8.574 8.663 8.749 8.852 8.864 8.869 8.866 8.853 8.829 8.793 8.750 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.272 7.380 7.498 7.617 7.733 7.847 7.957 8.065 8.169 8.271 8.370 8.467 8.559 8.648 8.734 8.851 8.868 8.880 8.886 8.886 8.878 8.862 8.837 8.807 8.774 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.250 7.358 7.477 7.596 7.714 7.828 7.940 8.048 8.153 8.256 8.355 8.452 8.545 8.634 8.719 8.847 8.867 8.884 8.896 8.904 8.906 8.902 8.892 8.876 8.855 8.831 8.806 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.228 7.336 7.455 7.576 7.694 7.810 7.922 8.031 8.137 8.240 8.340 8.437 8.531 8.620 8.705 8.841 8.864 8.884 8.900 8.913 8.922 8.926 8.926 8.920 8.910 8.896 8.880 8.862 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.205 7.313 7.434 7.555 7.675 7.791 7.904 8.014 8.121 8.225 8.325 8.423 8.516 8.606 8.691 8.834 8.859 8.881 8.900 8.917 8.931 8.941 8.947 8.949 8.947 8.942 8.933 8.922 8.910 8.896 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.183 7.291 7.412 7.535 7.655 7.773 7.887 7.997 8.105 8.209 8.310 8.408 8.502 8.592 8.678 8.826 8.852 8.876 8.898 8.917 8.935 8.949 8.960 8.968 8.972 8.973 8.971 8.967 8.960 8.952 8.943 99999.999 99999.999 99999.999 99999.999 99999.999 7.160 7.268 7.391 7.514 7.636 7.754 7.869 7.980 8.088 8.193 8.295 8.394 8.488 8.579 8.665 8.818 8.844 8.870 8.893 8.915 8.935 8.952 8.967 8.979 8.988 8.995 8.998 8.999 8.998 8.995 8.991 8.985 8.978 99999.999 99999.999 99999.999 7.137 7.246 7.369 7.494 7.616 7.735 7.851 7.963 8.072 8.178 8.280 8.379 8.474 8.566 8.652 8.808 8.836 8.863 8.888 8.911 8.933 8.952 8.970 8.985 8.998 9.009 9.017 9.023 9.026 9.028 9.028 9.026 9.024 9.020 99999.999 99999.999 7.115 7.223 7.347 7.473 7.597 7.717 7.834 7.947 8.056 8.162 8.265 8.365 8.460 8.552 8.640 8.798 8.827 8.855 8.881 8.906 8.929 8.950 8.970 8.988 9.004 9.018 9.029 9.039 9.047 9.052 9.056 9.059 9.060 9.059 9.058 9.056 7.092 7.200 7.325 7.452 7.577 7.698 7.816 7.930 8.040 8.147 8.250 8.350 8.447 8.539 8.627 8.788 8.818 8.846 8.873 8.899 8.924 8.947 8.968 8.988 9.006 9.023 9.037 9.050 9.061 9.070 9.078 9.083 9.088 9.091 9.093 9.094 6.858 6.970 7.106 7.244 7.380 7.512 7.638 7.760 7.878 7.991 8.101 8.206 8.308 8.406 8.500 8.676 8.710 8.743 8.775 8.806 8.837 8.867 8.897 8.926 8.954 8.982 9.008 9.034 9.060 9.085 9.109 9.132 9.154 9.176 9.197 9.218 6.617 6.736 6.883 7.034 7.182 7.324 7.460 7.591 7.716 7.836 7.952 8.063 8.169 8.272 8.371 8.558 8.594 8.629 8.663 8.697 8.730 8.763 8.796 8.828 8.859 8.890 8.920 8.950 8.980 9.009 9.038 9.066 9.094 9.121 9.148 9.174 6.371 6.498 6.659 6.823 6.982 7.136 7.282 7.421 7.554 7.681 7.803 7.920 8.032 8.139 8.243 8.438 8.475 8.512 8.548 8.584 8.619 8.654 8.688 8.722 8.755 8.788 8.820 8.852 8.884 8.915 8.946 8.976 9.006 9.036 9.065 9.094 6.120 6.258 6.432 6.610 6.782 6.946 7.103 7.251 7.392 7.526 7.654 7.777 7.894 8.007 8.115 8.318 8.357 8.395 8.433 8.470 8.507 8.543 8.579 8.614 8.649 8.683 8.717 8.750 8.783 8.816 8.848 8.880 8.911 8.942 8.973 9.003 5.865 6.015 6.205 6.396 6.581 6.757 6.923 7.081 7.230 7.372 7.506 7.635 7.757 7.875 7.987 8.199 8.239 8.279 8.318 8.357 8.395 8.432 8.469 8.506 8.541 8.577 8.612 8.647 8.681 8.715 8.748 8.781 8.813 8.846 8.878 8.909 5.607 5.771 5.975 6.181 6.379 6.567 6.744 6.910 7.068 7.217 7.358 7.493 7.621 7.743 7.860 8.080 8.121 8.163 8.203 8.243 8.283 8.321 8.360 8.397 8.434 8.471 8.507 8.543 8.578 8.613 8.648 8.682 8.715 8.748 8.781 8.814 5.346 5.525 5.745 5.966 6.177 6.376 6.564 6.740 6.906 7.062 7.210 7.351 7.484 7.612 7.733 7.961 8.004 8.047 8.089 8.130 8.171 8.211 8.250 8.289 8.328 8.366 8.403 8.440 8.476 8.512 8.548 8.583 8.617 8.651 8.685 8.718 99999.999 5.277 5.514 5.750 5.974 6.185 6.383 6.569 6.743 6.907 7.062 7.209 7.348 7.481 7.607 7.843 7.888 7.932 7.975 8.018 8.060 8.101 8.142 8.182 8.222 8.261 8.299 8.337 8.374 8.411 8.448 8.484 8.519 8.554 8.589 8.623 Ag(CO3)2-3 Ag(CO3)2(-3) P-T:All Charge =-3. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 3 -2.000 1 1.000 18 2.000 5 18.543 18.506 18.502 18.527 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.543 18.506 18.502 18.527 18.578 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.542 18.505 18.501 18.526 18.577 18.653 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.540 18.503 18.499 18.524 18.575 18.651 18.752 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.537 18.500 18.496 18.520 18.572 18.648 18.749 18.875 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.531 18.494 18.490 18.515 18.566 18.643 18.743 18.869 19.022 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.523 18.486 18.482 18.507 18.558 18.635 18.735 18.861 19.013 19.197 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.512 18.474 18.470 18.495 18.547 18.623 18.724 18.849 19.001 19.183 19.405 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.496 18.458 18.454 18.479 18.531 18.608 18.708 18.833 18.983 19.164 19.383 19.655 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.475 18.435 18.432 18.458 18.510 18.587 18.687 18.811 18.960 19.139 19.354 19.620 19.956 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.447 18.406 18.403 18.430 18.482 18.559 18.659 18.782 18.930 19.106 19.317 19.575 19.897 20.314 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.410 18.369 18.366 18.394 18.447 18.523 18.623 18.746 18.892 19.065 19.270 19.518 19.824 20.216 20.765 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.382 18.339 18.337 18.365 18.419 18.496 18.595 18.717 18.862 19.033 19.234 19.476 19.770 20.143 20.678 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.341 18.297 18.296 18.325 18.379 18.456 18.556 18.677 18.820 18.988 19.184 19.416 19.694 20.042 20.537 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.299 18.255 18.254 18.284 18.339 18.417 18.516 18.636 18.778 18.943 19.135 19.358 19.623 19.947 20.399 19.876 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.258 18.212 18.212 18.243 18.299 18.378 18.477 18.596 18.737 18.899 19.086 19.302 19.554 19.856 20.267 20.262 20.183 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.216 18.169 18.170 18.202 18.259 18.338 18.437 18.557 18.696 18.856 19.039 19.248 19.488 19.772 20.145 20.302 20.335 20.338 20.374 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.174 18.126 18.128 18.162 18.220 18.299 18.398 18.517 18.655 18.813 18.992 19.195 19.425 19.692 20.031 20.275 20.345 20.399 20.443 20.509 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.131 18.083 18.086 18.121 18.180 18.260 18.359 18.478 18.615 18.771 18.947 19.144 19.365 19.617 19.927 20.228 20.311 20.388 20.457 20.525 20.610 20.744 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.089 18.040 18.044 18.080 18.140 18.221 18.320 18.438 18.575 18.729 18.902 19.095 19.308 19.546 19.831 20.174 20.263 20.349 20.431 20.511 20.593 20.689 20.816 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.046 17.997 18.002 18.039 18.100 18.182 18.282 18.399 18.535 18.688 18.858 19.046 19.253 19.480 19.743 20.116 20.208 20.298 20.387 20.474 20.562 20.653 20.754 20.877 21.027 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.003 17.954 17.960 17.998 18.061 18.143 18.243 18.361 18.495 18.647 18.815 18.999 19.200 19.418 19.663 20.058 20.150 20.242 20.334 20.425 20.517 20.609 20.705 20.810 20.928 21.064 21.219 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.960 17.910 17.918 17.957 18.021 18.104 18.205 18.322 18.456 18.606 18.772 18.953 19.149 19.359 19.590 20.000 20.092 20.185 20.277 20.370 20.464 20.558 20.653 20.752 20.858 20.972 21.097 21.233 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.916 17.867 17.875 17.916 17.981 18.065 18.166 18.284 18.417 18.566 18.730 18.908 19.100 19.304 19.524 19.943 20.034 20.126 20.219 20.313 20.407 20.501 20.597 20.695 20.795 20.900 21.010 21.127 21.249 21.376 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.873 17.823 17.833 17.875 17.941 18.026 18.128 18.245 18.378 18.526 18.689 18.864 19.052 19.251 19.463 19.886 19.976 20.068 20.160 20.254 20.348 20.443 20.538 20.635 20.733 20.834 20.937 21.043 21.153 21.264 21.377 99999.999 99999.999 99999.999 99999.999 99999.999 17.829 17.779 17.791 17.835 17.902 17.987 18.090 18.207 18.340 18.487 18.648 18.821 19.006 19.201 19.406 19.830 19.920 20.010 20.102 20.194 20.288 20.382 20.478 20.574 20.671 20.770 20.869 20.970 21.073 21.176 21.279 21.381 21.480 99999.999 99999.999 99999.999 17.785 17.735 17.748 17.794 17.862 17.949 18.051 18.169 18.301 18.448 18.607 18.779 18.961 19.153 19.354 19.775 19.864 19.953 20.044 20.135 20.228 20.322 20.417 20.512 20.609 20.706 20.803 20.902 21.000 21.099 21.196 21.292 21.386 21.475 99999.999 99999.999 17.741 17.692 17.706 17.753 17.822 17.910 18.013 18.131 18.263 18.409 18.567 18.737 18.918 19.107 19.305 19.722 19.809 19.897 19.987 20.077 20.169 20.262 20.356 20.451 20.546 20.642 20.738 20.835 20.931 21.027 21.122 21.215 21.305 21.391 21.473 21.548 17.697 17.648 17.663 17.712 17.783 17.871 17.975 18.093 18.225 18.370 18.527 18.696 18.875 19.062 19.257 19.669 19.755 19.842 19.930 20.020 20.111 20.202 20.295 20.389 20.483 20.578 20.674 20.769 20.864 20.959 21.052 21.143 21.232 21.317 21.398 21.474 17.247 17.203 17.235 17.300 17.386 17.487 17.599 17.722 17.854 17.995 18.145 18.303 18.469 18.640 18.817 19.186 19.262 19.339 19.417 19.496 19.575 19.656 19.738 19.820 19.904 19.988 20.073 20.158 20.245 20.331 20.417 20.504 20.590 20.676 20.761 20.845 16.787 16.752 16.803 16.888 16.991 17.106 17.229 17.358 17.495 17.637 17.784 17.937 18.095 18.257 18.423 18.763 18.833 18.903 18.974 19.045 19.117 19.190 19.263 19.337 19.411 19.486 19.562 19.639 19.716 19.793 19.872 19.951 20.030 20.109 20.189 20.270 16.317 16.297 16.369 16.475 16.596 16.726 16.862 17.001 17.144 17.289 17.438 17.589 17.744 17.900 18.059 18.381 18.446 18.512 18.578 18.644 18.711 18.777 18.845 18.913 18.981 19.050 19.119 19.189 19.259 19.329 19.401 19.473 19.545 19.618 19.691 19.765 15.840 15.837 15.933 16.061 16.202 16.348 16.498 16.648 16.799 16.950 17.102 17.255 17.408 17.562 17.716 18.027 18.089 18.152 18.214 18.277 18.340 18.403 18.467 18.530 18.594 18.658 18.723 18.788 18.853 18.918 18.984 19.051 19.118 19.185 19.253 19.321 15.356 15.374 15.495 15.646 15.808 15.972 16.136 16.299 16.459 16.618 16.774 16.930 17.084 17.238 17.390 17.694 17.755 17.815 17.876 17.936 17.997 18.057 18.118 18.178 18.239 18.300 18.361 18.423 18.484 18.546 18.608 18.671 18.733 18.797 18.860 18.924 14.867 14.908 15.056 15.231 15.414 15.596 15.776 15.952 16.123 16.290 16.453 16.613 16.770 16.925 17.077 17.378 17.437 17.497 17.556 17.615 17.673 17.732 17.791 17.850 17.908 17.967 18.026 18.085 18.144 18.203 18.263 18.322 18.382 18.442 18.502 18.563 14.373 14.440 14.615 14.816 15.021 15.222 15.418 15.607 15.790 15.966 16.137 16.302 16.463 16.621 16.775 17.075 17.134 17.192 17.251 17.309 17.367 17.424 17.482 17.539 17.597 17.654 17.711 17.769 17.826 17.883 17.941 17.998 18.056 18.114 18.172 18.231 99999.999 13.969 14.174 14.401 14.628 14.848 15.061 15.264 15.459 15.646 15.825 15.997 16.163 16.324 16.480 16.782 16.841 16.899 16.958 17.015 17.073 17.130 17.187 17.244 17.300 17.357 17.413 17.469 17.526 17.582 17.638 17.694 17.751 17.807 17.864 17.921 Ag+2 Ag(+2) P-T:All Charge = 2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 5 1.125 1 1.000 18 0.125 4 -0.125 6 -0.500 2 31.531 29.414 27.623 26.089 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.531 29.414 27.623 26.089 24.760 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.531 29.414 27.623 26.088 24.760 23.600 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.530 29.413 27.623 26.088 24.759 23.600 22.581 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.530 29.413 27.622 26.087 24.759 23.599 22.581 21.681 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.529 29.412 27.621 26.086 24.758 23.598 22.579 21.680 20.882 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.527 29.410 27.619 26.085 24.756 23.596 22.578 21.678 20.880 20.170 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.525 29.408 27.617 26.082 24.754 23.594 22.575 21.675 20.877 20.167 19.537 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.522 29.405 27.614 26.079 24.751 23.591 22.572 21.671 20.873 20.163 19.532 18.974 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.519 29.401 27.610 26.075 24.747 23.587 22.567 21.667 20.867 20.157 19.525 18.965 18.468 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.514 29.396 27.604 26.070 24.741 23.581 22.561 21.660 20.861 20.149 19.516 18.954 18.455 17.997 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.508 29.389 27.598 26.063 24.734 23.574 22.554 21.652 20.852 20.139 19.504 18.940 18.438 17.986 17.510 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.503 29.384 27.592 26.058 24.729 23.568 22.548 21.646 20.845 20.132 19.496 18.929 18.425 17.974 17.556 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.497 29.377 27.585 26.050 24.721 23.561 22.540 21.638 20.836 20.121 19.483 18.914 18.406 17.952 17.559 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.490 29.370 27.578 26.043 24.714 23.553 22.532 21.629 20.827 20.111 19.472 18.899 18.387 17.929 17.538 14.585 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.484 29.362 27.571 26.036 24.707 23.546 22.524 21.621 20.818 20.101 19.460 18.885 18.369 17.906 17.509 15.807 15.070 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.478 29.356 27.563 26.028 24.699 23.538 22.517 21.613 20.809 20.092 19.449 18.872 18.352 17.884 17.477 16.105 15.706 15.168 14.486 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.472 29.349 27.556 26.021 24.692 23.531 22.509 21.605 20.801 20.082 19.438 18.859 18.336 17.862 17.446 16.239 15.948 15.595 15.162 14.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.466 29.342 27.550 26.015 24.685 23.524 22.502 21.597 20.792 20.073 19.428 18.847 18.320 17.842 17.416 16.313 16.071 15.797 15.481 15.113 14.698 14.262 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.460 29.335 27.543 26.008 24.678 23.517 22.494 21.589 20.784 20.064 19.418 18.835 18.306 17.824 17.389 16.358 16.144 15.911 15.653 15.365 15.043 14.691 14.324 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.454 29.329 27.536 26.001 24.672 23.510 22.487 21.582 20.776 20.055 19.408 18.824 18.293 17.807 17.365 16.387 16.190 15.981 15.757 15.515 15.250 14.962 14.654 14.335 14.017 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.448 29.322 27.529 25.994 24.665 23.503 22.480 21.574 20.768 20.047 19.399 18.813 18.280 17.791 17.343 16.406 16.220 16.027 15.824 15.610 15.382 15.136 14.875 14.599 14.316 14.031 13.752 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.442 29.316 27.523 25.988 24.658 23.496 22.473 21.567 20.760 20.038 19.389 18.803 18.268 17.777 17.325 16.418 16.240 16.057 15.870 15.674 15.469 15.253 15.024 14.784 14.533 14.277 14.018 13.762 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.437 29.310 27.516 25.981 24.652 23.490 22.466 21.560 20.753 20.030 19.381 18.793 18.257 17.765 17.309 16.425 16.253 16.078 15.901 15.718 15.529 15.333 15.128 14.914 14.691 14.460 14.225 13.988 13.750 13.516 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.431 29.303 27.510 25.975 24.645 23.483 22.460 21.553 20.745 20.022 19.372 18.783 18.247 17.753 17.296 16.429 16.261 16.092 15.922 15.749 15.572 15.390 15.202 15.007 14.805 14.597 14.383 14.165 13.945 13.724 13.504 99999.999 99999.999 99999.999 99999.999 99999.999 31.426 29.297 27.504 25.968 24.639 23.477 22.453 21.546 20.738 20.014 19.363 18.774 18.237 17.743 17.285 16.430 16.266 16.102 15.937 15.771 15.603 15.431 15.256 15.075 14.890 14.699 14.503 14.302 14.099 13.893 13.686 13.479 13.272 99999.999 99999.999 99999.999 31.421 29.291 27.497 25.962 24.632 23.470 22.446 21.539 20.731 20.007 19.355 18.765 18.228 17.734 17.275 16.429 16.268 16.107 15.947 15.786 15.625 15.461 15.295 15.126 14.952 14.775 14.594 14.409 14.220 14.029 13.835 13.641 13.445 13.248 99999.999 99999.999 31.416 29.285 27.491 25.956 24.626 23.464 22.440 21.532 20.723 19.999 19.347 18.757 18.219 17.725 17.266 16.427 16.268 16.110 15.953 15.797 15.640 15.483 15.324 15.163 15.000 14.834 14.664 14.492 14.316 14.137 13.957 13.774 13.590 13.404 13.218 13.030 31.410 29.279 27.485 25.950 24.620 23.458 22.434 21.526 20.716 19.991 19.339 18.748 18.210 17.716 17.258 16.424 16.266 16.111 15.957 15.804 15.651 15.499 15.346 15.192 15.036 14.878 14.718 14.556 14.391 14.224 14.055 13.883 13.710 13.535 13.359 13.181 31.363 29.224 27.427 25.892 24.562 23.399 22.374 21.464 20.651 19.923 19.266 18.671 18.130 17.635 17.179 16.363 16.213 16.066 15.924 15.784 15.648 15.514 15.383 15.255 15.129 15.005 14.883 14.762 14.644 14.526 14.410 14.295 14.180 14.067 13.954 13.842 31.322 29.173 27.375 25.839 24.509 23.346 22.320 21.409 20.594 19.863 19.203 18.605 18.060 17.562 17.104 16.289 16.140 15.996 15.855 15.718 15.584 15.454 15.328 15.204 15.084 14.966 14.852 14.740 14.630 14.523 14.418 14.315 14.215 14.117 14.020 13.926 31.285 29.127 27.327 25.790 24.460 23.297 22.271 21.359 20.543 19.809 19.147 18.546 17.998 17.497 17.037 16.219 16.070 15.925 15.784 15.647 15.514 15.385 15.259 15.136 15.017 14.901 14.787 14.677 14.570 14.465 14.363 14.263 14.166 14.072 13.980 13.890 31.252 29.085 27.281 25.744 24.414 23.251 22.225 21.312 20.496 19.761 19.096 18.493 17.942 17.439 16.976 16.154 16.004 15.859 15.717 15.580 15.446 15.317 15.190 15.067 14.948 14.832 14.718 14.608 14.501 14.397 14.295 14.196 14.099 14.005 13.914 13.825 31.222 29.045 27.239 25.701 24.371 23.208 22.182 21.269 20.452 19.716 19.050 18.445 17.892 17.386 16.921 16.095 15.944 15.798 15.656 15.518 15.384 15.253 15.126 15.003 14.883 14.766 14.652 14.541 14.434 14.329 14.226 14.127 14.030 13.936 13.844 13.755 31.194 29.007 27.198 25.660 24.330 23.167 22.141 21.228 20.411 19.674 19.007 18.400 17.846 17.338 16.871 16.041 15.889 15.742 15.599 15.461 15.326 15.195 15.067 14.943 14.822 14.704 14.590 14.479 14.370 14.265 14.162 14.062 13.964 13.869 13.777 13.687 31.167 28.971 27.160 25.620 24.291 23.128 22.102 21.190 20.372 19.635 18.967 18.359 17.804 17.294 16.825 15.991 15.839 15.691 15.548 15.408 15.273 15.141 15.012 14.888 14.766 14.648 14.533 14.421 14.312 14.205 14.102 14.001 13.903 13.807 13.714 13.623 99999.999 28.936 27.122 25.583 24.253 23.091 22.065 21.153 20.335 19.598 18.929 18.321 17.764 17.253 16.783 15.946 15.793 15.645 15.500 15.360 15.224 15.091 14.962 14.837 14.715 14.596 14.480 14.367 14.258 14.151 14.046 13.945 13.846 13.750 13.656 13.564 Ag+2 Ag(+2) P-T:All Charge = 2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 1.000 1 1.000 18 0.250 31 -0.500 2 12.518 12.124 11.818 11.574 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.518 12.124 11.818 11.574 11.379 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.518 12.124 11.818 11.574 11.379 11.223 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.517 12.123 11.817 11.573 11.378 11.222 11.101 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.516 12.122 11.816 11.572 11.377 11.221 11.100 11.009 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.514 12.120 11.814 11.570 11.375 11.219 11.098 11.007 10.943 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.511 12.117 11.811 11.567 11.372 11.216 11.095 11.004 10.940 10.902 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.507 12.113 11.807 11.563 11.368 11.212 11.091 10.999 10.935 10.897 10.888 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.501 12.107 11.801 11.557 11.362 11.206 11.085 10.993 10.928 10.890 10.879 10.900 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.493 12.099 11.793 11.550 11.354 11.199 11.077 10.985 10.919 10.880 10.868 10.886 10.936 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.483 12.088 11.783 11.540 11.344 11.189 11.067 10.974 10.908 10.867 10.853 10.868 10.914 10.986 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.470 12.075 11.770 11.527 11.332 11.176 11.054 10.960 10.893 10.851 10.835 10.845 10.886 10.957 11.027 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.460 12.065 11.760 11.517 11.322 11.166 11.044 10.950 10.882 10.839 10.821 10.828 10.864 10.931 11.038 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.446 12.051 11.745 11.503 11.308 11.152 11.029 10.935 10.867 10.822 10.801 10.804 10.834 10.893 11.008 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.432 12.036 11.731 11.489 11.295 11.139 11.016 10.921 10.851 10.806 10.782 10.781 10.804 10.855 10.961 9.251 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.418 12.022 11.717 11.475 11.281 11.125 11.002 10.907 10.836 10.789 10.764 10.759 10.777 10.818 10.910 10.204 9.757 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.404 12.008 11.704 11.462 11.268 11.112 10.988 10.893 10.822 10.773 10.746 10.738 10.750 10.784 10.860 10.425 10.242 9.952 9.565 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.390 11.994 11.690 11.448 11.254 11.099 10.975 10.879 10.807 10.758 10.728 10.718 10.725 10.751 10.812 10.513 10.415 10.268 10.059 9.797 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.377 11.980 11.676 11.435 11.241 11.086 10.962 10.865 10.793 10.742 10.712 10.698 10.701 10.720 10.768 10.555 10.495 10.409 10.288 10.129 9.938 9.741 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.363 11.966 11.663 11.422 11.228 11.073 10.949 10.852 10.779 10.728 10.695 10.679 10.678 10.692 10.727 10.575 10.536 10.481 10.405 10.305 10.179 10.033 9.881 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.350 11.953 11.650 11.409 11.216 11.060 10.936 10.839 10.765 10.713 10.679 10.661 10.657 10.665 10.691 10.583 10.556 10.519 10.469 10.402 10.318 10.216 10.101 9.980 9.865 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.337 11.939 11.636 11.396 11.203 11.047 10.923 10.826 10.752 10.699 10.663 10.644 10.637 10.641 10.658 10.584 10.565 10.539 10.504 10.459 10.401 10.330 10.246 10.152 10.054 9.957 9.867 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.324 11.926 11.623 11.383 11.190 11.035 10.911 10.813 10.738 10.684 10.648 10.627 10.618 10.619 10.629 10.580 10.566 10.548 10.524 10.492 10.451 10.401 10.340 10.270 10.192 10.110 10.028 9.948 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.311 11.913 11.610 11.371 11.178 11.023 10.898 10.800 10.725 10.671 10.633 10.611 10.600 10.598 10.603 10.572 10.563 10.550 10.533 10.511 10.482 10.445 10.401 10.349 10.290 10.224 10.155 10.084 10.012 9.942 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.298 11.900 11.597 11.358 11.166 11.010 10.886 10.788 10.712 10.657 10.619 10.595 10.583 10.579 10.581 10.563 10.557 10.548 10.536 10.520 10.499 10.473 10.441 10.402 10.357 10.306 10.250 10.190 10.128 10.064 10.000 99999.999 99999.999 99999.999 99999.999 99999.999 12.285 11.887 11.585 11.346 11.154 10.998 10.874 10.775 10.699 10.644 10.605 10.580 10.567 10.561 10.561 10.552 10.548 10.542 10.534 10.522 10.508 10.489 10.465 10.437 10.403 10.364 10.320 10.272 10.220 10.164 10.107 10.047 9.986 99999.999 99999.999 99999.999 12.273 11.874 11.572 11.333 11.141 10.986 10.862 10.763 10.687 10.630 10.591 10.565 10.551 10.545 10.543 10.540 10.538 10.534 10.528 10.521 10.510 10.497 10.480 10.459 10.434 10.404 10.370 10.332 10.290 10.244 10.195 10.143 10.088 10.030 99999.999 99999.999 12.260 11.861 11.560 11.321 11.129 10.975 10.850 10.751 10.674 10.617 10.577 10.551 10.536 10.529 10.527 10.527 10.526 10.524 10.521 10.516 10.509 10.499 10.487 10.472 10.454 10.432 10.406 10.376 10.342 10.305 10.264 10.220 10.173 10.122 10.069 10.012 12.248 11.848 11.547 11.309 11.118 10.963 10.838 10.739 10.662 10.605 10.564 10.537 10.521 10.514 10.512 10.514 10.514 10.513 10.511 10.508 10.504 10.498 10.490 10.479 10.466 10.449 10.430 10.407 10.381 10.351 10.318 10.282 10.242 10.199 10.153 10.103 12.128 11.726 11.427 11.193 11.004 10.851 10.727 10.627 10.547 10.485 10.439 10.407 10.385 10.373 10.367 10.372 10.375 10.378 10.381 10.385 10.390 10.394 10.399 10.404 10.409 10.413 10.418 10.422 10.426 10.430 10.433 10.435 10.437 10.438 10.437 10.436 12.017 11.612 11.315 11.084 10.898 10.747 10.624 10.524 10.443 10.379 10.329 10.292 10.266 10.249 10.239 10.237 10.239 10.242 10.245 10.249 10.253 10.258 10.264 10.270 10.277 10.284 10.291 10.299 10.307 10.316 10.325 10.335 10.344 10.354 10.364 10.375 11.911 11.503 11.209 10.980 10.798 10.649 10.528 10.428 10.347 10.282 10.230 10.190 10.160 10.139 10.125 10.116 10.116 10.117 10.119 10.122 10.125 10.129 10.134 10.139 10.145 10.151 10.158 10.166 10.174 10.182 10.192 10.201 10.212 10.223 10.234 10.246 11.809 11.399 11.107 10.882 10.702 10.556 10.437 10.338 10.257 10.191 10.138 10.096 10.063 10.039 10.022 10.006 10.005 10.005 10.005 10.007 10.009 10.011 10.014 10.018 10.023 10.028 10.034 10.040 10.047 10.054 10.062 10.071 10.080 10.090 10.101 10.112 11.711 11.298 11.009 10.787 10.611 10.468 10.350 10.253 10.173 10.107 10.052 10.009 9.974 9.947 9.928 9.906 9.904 9.902 9.902 9.902 9.902 9.904 9.906 9.908 9.911 9.915 9.920 9.925 9.930 9.936 9.943 9.950 9.958 9.967 9.976 9.986 11.616 11.201 10.914 10.696 10.523 10.382 10.267 10.171 10.092 10.026 9.972 9.927 9.891 9.863 9.841 9.814 9.811 9.808 9.807 9.806 9.805 9.806 9.806 9.808 9.810 9.812 9.816 9.819 9.824 9.829 9.834 9.840 9.847 9.854 9.862 9.870 11.523 11.106 10.822 10.607 10.437 10.299 10.186 10.093 10.015 9.950 9.895 9.850 9.813 9.784 9.760 9.729 9.725 9.722 9.719 9.717 9.716 9.715 9.715 9.715 9.716 9.718 9.720 9.723 9.726 9.730 9.734 9.739 9.745 9.751 9.757 9.765 99999.999 11.013 10.732 10.520 10.354 10.219 10.108 10.017 9.940 9.876 9.822 9.777 9.740 9.709 9.684 9.650 9.645 9.641 9.638 9.635 9.633 9.632 9.631 9.630 9.630 9.631 9.632 9.634 9.637 9.639 9.643 9.647 9.651 9.656 9.662 9.668 AgCl,aq AgCl(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 2 1.000 18 1.000 3 -3.566 -3.297 -3.111 -2.982 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.566 -3.297 -3.111 -2.982 -2.897 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.566 -3.297 -3.111 -2.982 -2.897 -2.848 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.566 -3.296 -3.110 -2.981 -2.896 -2.848 -2.832 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.565 -3.296 -3.110 -2.981 -2.896 -2.847 -2.831 -2.845 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.564 -3.295 -3.109 -2.980 -2.894 -2.846 -2.830 -2.843 -2.887 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.562 -3.293 -3.107 -2.978 -2.893 -2.844 -2.828 -2.841 -2.884 -2.960 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.560 -3.291 -3.105 -2.976 -2.891 -2.842 -2.825 -2.837 -2.880 -2.954 -3.068 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.557 -3.288 -3.102 -2.973 -2.887 -2.838 -2.821 -2.833 -2.874 -2.947 -3.058 -3.221 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.552 -3.284 -3.098 -2.969 -2.883 -2.833 -2.815 -2.826 -2.866 -2.937 -3.045 -3.201 -3.431 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.547 -3.279 -3.094 -2.964 -2.878 -2.827 -2.808 -2.818 -2.856 -2.924 -3.028 -3.177 -3.392 -3.725 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.540 -3.273 -3.087 -2.957 -2.871 -2.820 -2.799 -2.808 -2.844 -2.909 -3.007 -3.147 -3.346 -3.642 -4.193 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.535 -3.269 -3.083 -2.953 -2.865 -2.814 -2.793 -2.800 -2.834 -2.897 -2.991 -3.125 -3.313 -3.587 -4.057 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.528 -3.262 -3.076 -2.946 -2.858 -2.806 -2.783 -2.789 -2.821 -2.880 -2.970 -3.095 -3.269 -3.515 -3.913 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.522 -3.256 -3.070 -2.939 -2.851 -2.798 -2.774 -2.778 -2.808 -2.865 -2.949 -3.068 -3.229 -3.452 -3.797 -5.368 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.516 -3.250 -3.063 -2.933 -2.844 -2.790 -2.766 -2.768 -2.796 -2.850 -2.930 -3.041 -3.191 -3.395 -3.699 -4.467 -4.992 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.510 -3.244 -3.057 -2.926 -2.837 -2.782 -2.757 -2.758 -2.784 -2.835 -2.912 -3.017 -3.157 -3.344 -3.613 -4.204 -4.480 -4.883 -5.498 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.504 -3.238 -3.052 -2.920 -2.831 -2.775 -2.749 -2.749 -2.773 -2.821 -2.894 -2.993 -3.125 -3.297 -3.538 -4.047 -4.245 -4.498 -4.838 -5.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.498 -3.232 -3.046 -2.914 -2.824 -2.768 -2.741 -2.739 -2.762 -2.807 -2.877 -2.971 -3.095 -3.254 -3.471 -3.932 -4.092 -4.284 -4.520 -4.818 -5.195 -5.661 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.493 -3.227 -3.041 -2.908 -2.818 -2.761 -2.733 -2.730 -2.751 -2.794 -2.861 -2.951 -3.067 -3.215 -3.412 -3.841 -3.977 -4.135 -4.320 -4.542 -4.810 -5.133 -5.516 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.488 -3.222 -3.035 -2.903 -2.812 -2.754 -2.725 -2.721 -2.740 -2.782 -2.845 -2.931 -3.041 -3.179 -3.359 -3.764 -3.884 -4.020 -4.175 -4.355 -4.564 -4.809 -5.094 -5.420 -5.785 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.483 -3.217 -3.030 -2.897 -2.806 -2.748 -2.718 -2.712 -2.730 -2.769 -2.830 -2.912 -3.016 -3.147 -3.311 -3.697 -3.805 -3.926 -4.061 -4.214 -4.387 -4.585 -4.811 -5.067 -5.352 -5.665 -5.999 99999.999 99999.999 99999.999 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Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 2 1.000 18 3.000 3 -5.964 -5.131 -4.561 -4.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.964 -5.131 -4.561 -4.166 -3.901 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.963 -5.130 -4.560 -4.165 -3.900 -3.737 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-4.936 -4.374 -3.985 -3.723 -3.559 -3.474 -3.454 -3.491 -3.579 -3.714 -3.898 -4.136 -4.442 -4.868 -5.607 -6.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.733 -4.911 -4.350 -3.961 -3.700 -3.536 -3.450 -3.429 -3.465 -3.550 -3.681 -3.858 -4.085 -4.372 -4.760 -5.411 -5.668 -6.019 -6.552 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.708 -4.887 -4.326 -3.938 -3.677 -3.513 -3.427 -3.405 -3.439 -3.521 -3.649 -3.820 -4.037 -4.308 -4.664 -5.278 -5.485 -5.732 -6.045 -6.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.684 -4.863 -4.302 -3.915 -3.654 -3.490 -3.404 -3.381 -3.413 -3.494 -3.618 -3.784 -3.992 -4.248 -4.576 -5.172 -5.353 -5.558 -5.797 -6.086 -6.444 -6.891 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.661 -4.839 -4.280 -3.893 -3.632 -3.468 -3.381 -3.358 -3.389 -3.467 -3.588 -3.749 -3.949 -4.193 -4.497 -5.082 -5.246 -5.428 -5.631 -5.863 -6.132 -6.451 -6.829 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.638 -4.816 -4.257 -3.871 -3.610 -3.446 -3.359 -3.335 -3.364 -3.441 -3.559 -3.715 -3.909 -4.142 -4.426 -5.002 -5.155 -5.321 -5.502 -5.703 -5.927 -6.182 -6.473 -6.804 -7.177 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.616 -4.794 -4.235 -3.849 -3.589 -3.425 -3.337 -3.312 -3.341 -3.415 -3.530 -3.683 -3.871 -4.094 -4.362 -4.930 -5.074 -5.228 -5.395 -5.576 -5.773 -5.991 -6.233 -6.502 -6.800 -7.126 -7.477 99999.999 99999.999 99999.999 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-5.075 -5.216 -5.364 -5.520 -5.684 -5.857 -6.040 -6.232 -6.434 -6.645 -6.865 -7.091 -7.322 -7.555 -7.789 99999.999 99999.999 99999.999 -5.517 -4.691 -4.132 -3.748 -3.488 -3.324 -3.235 -3.206 -3.229 -3.296 -3.400 -3.538 -3.706 -3.900 -4.121 -4.640 -4.758 -4.882 -5.011 -5.146 -5.287 -5.435 -5.590 -5.753 -5.924 -6.102 -6.289 -6.482 -6.683 -6.890 -7.101 -7.315 -7.530 -7.743 99999.999 99999.999 -5.499 -4.671 -4.113 -3.729 -3.469 -3.305 -3.215 -3.186 -3.208 -3.273 -3.376 -3.512 -3.676 -3.868 -4.084 -4.592 -4.706 -4.826 -4.951 -5.081 -5.216 -5.358 -5.506 -5.660 -5.821 -5.989 -6.163 -6.343 -6.530 -6.721 -6.917 -7.115 -7.314 -7.514 -7.711 -7.905 -5.481 -4.653 -4.094 -3.710 -3.451 -3.286 -3.196 -3.167 -3.188 -3.252 -3.353 -3.486 -3.648 -3.836 -4.048 -4.545 -4.657 -4.773 -4.894 -5.020 -5.151 -5.287 -5.429 -5.576 -5.729 -5.888 -6.052 -6.222 -6.397 -6.576 -6.759 -6.945 -7.132 -7.319 -7.505 -7.689 -5.336 -4.487 -3.923 -3.538 -3.279 -3.113 -3.021 -2.986 -3.000 -3.053 -3.141 -3.258 -3.400 -3.564 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-2.860 -2.994 -3.295 -3.360 -3.426 -3.494 -3.563 -3.633 -3.704 -3.776 -3.849 -3.924 -3.999 -4.075 -4.153 -4.231 -4.310 -4.390 -4.471 -4.553 -4.636 -4.719 -4.803 -5.131 -4.056 -3.409 -2.986 -2.706 -2.526 -2.420 -2.369 -2.363 -2.390 -2.446 -2.525 -2.622 -2.736 -2.862 -3.149 -3.210 -3.273 -3.337 -3.403 -3.469 -3.537 -3.605 -3.675 -3.745 -3.816 -3.889 -3.962 -4.036 -4.110 -4.186 -4.262 -4.340 -4.417 -4.496 -4.576 -5.155 -4.020 -3.350 -2.915 -2.628 -2.444 -2.334 -2.281 -2.271 -2.296 -2.348 -2.423 -2.516 -2.624 -2.745 -3.019 -3.078 -3.138 -3.199 -3.262 -3.325 -3.390 -3.455 -3.521 -3.589 -3.657 -3.726 -3.795 -3.866 -3.937 -4.009 -4.082 -4.156 -4.230 -4.305 -4.381 99999.999 -3.995 -3.300 -2.853 -2.559 -2.369 -2.256 -2.200 -2.187 -2.209 -2.258 -2.329 -2.419 -2.522 -2.639 -2.902 -2.959 -3.017 -3.076 -3.136 -3.197 -3.259 -3.322 -3.385 -3.450 -3.515 -3.582 -3.649 -3.717 -3.785 -3.855 -3.925 -3.995 -4.067 -4.139 -4.211 AgCl4-3 AgCl4(-3) P-T:All Charge =-3. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 2 1.000 18 4.000 3 -5.011 -3.805 -2.969 -2.383 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.011 -3.805 -2.969 -2.383 -1.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.010 -3.804 -2.968 -2.381 -1.977 -1.711 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.008 -3.802 -2.966 -2.379 -1.975 -1.710 -1.556 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.003 -3.798 -2.962 -2.376 -1.971 -1.706 -1.553 -1.491 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.997 -3.792 -2.957 -2.370 -1.966 -1.701 -1.548 -1.486 -1.504 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.987 -3.782 -2.948 -2.362 -1.958 -1.693 -1.540 -1.478 -1.496 -1.584 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.973 -3.769 -2.936 -2.350 -1.947 -1.682 -1.529 -1.467 -1.484 -1.572 -1.731 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.954 -3.751 -2.919 -2.334 -1.931 -1.667 -1.514 -1.452 -1.468 -1.555 -1.712 -1.945 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.929 -3.728 -2.896 -2.313 -1.910 -1.647 -1.494 -1.432 -1.447 -1.532 -1.686 -1.914 -2.235 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.897 -3.697 -2.867 -2.285 -1.884 -1.621 -1.468 -1.405 -1.420 -1.503 -1.653 -1.875 -2.182 -2.621 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.856 -3.658 -2.830 -2.250 -1.849 -1.587 -1.435 -1.372 -1.385 -1.467 -1.612 -1.825 -2.118 -2.523 -3.184 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.825 -3.628 -2.802 -2.223 -1.823 -1.562 -1.409 -1.346 -1.359 -1.439 -1.581 -1.789 -2.070 -2.454 -3.043 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.781 -3.586 -2.762 -2.184 -1.786 -1.526 -1.374 -1.310 -1.322 -1.399 -1.538 -1.738 -2.006 -2.363 -2.884 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.739 -3.545 -2.723 -2.147 -1.750 -1.490 -1.339 -1.275 -1.286 -1.361 -1.496 -1.689 -1.945 -2.280 -2.750 -4.365 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.698 -3.505 -2.684 -2.110 -1.715 -1.455 -1.304 -1.240 -1.250 -1.324 -1.455 -1.642 -1.888 -2.204 -2.634 -3.581 -4.100 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.658 -3.466 -2.647 -2.074 -1.680 -1.421 -1.270 -1.206 -1.215 -1.287 -1.416 -1.597 -1.834 -2.133 -2.530 -3.337 -3.643 -4.063 -4.677 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.619 -3.428 -2.610 -2.038 -1.645 -1.388 -1.237 -1.173 -1.181 -1.252 -1.377 -1.554 -1.782 -2.068 -2.436 -3.180 -3.421 -3.711 -4.079 -4.559 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.581 -3.391 -2.574 -2.004 -1.611 -1.355 -1.204 -1.140 -1.148 -1.217 -1.340 -1.512 -1.733 -2.006 -2.350 -3.059 -3.268 -3.505 -3.783 -4.117 -4.524 -5.019 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.544 -3.354 -2.538 -1.969 -1.578 -1.322 -1.172 -1.108 -1.115 -1.183 -1.303 -1.472 -1.687 -1.949 -2.273 -2.959 -3.147 -3.355 -3.589 -3.856 -4.165 -4.527 -4.946 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.508 -3.318 -2.504 -1.936 -1.546 -1.290 -1.141 -1.077 -1.083 -1.149 -1.268 -1.433 -1.642 -1.895 -2.202 -2.871 -3.045 -3.235 -3.442 -3.672 -3.930 -4.220 -4.549 -4.918 -5.325 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.474 -3.283 -2.469 -1.903 -1.514 -1.259 -1.110 -1.046 -1.051 -1.117 -1.233 -1.396 -1.600 -1.845 -2.137 -2.792 -2.956 -3.133 -3.323 -3.529 -3.755 -4.004 -4.279 -4.582 -4.914 -5.274 -5.656 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.440 -3.249 -2.436 -1.870 -1.482 -1.228 -1.079 -1.015 -1.020 -1.085 -1.200 -1.359 -1.559 -1.798 -2.078 -2.721 -2.877 -3.043 -3.220 -3.410 -3.615 -3.837 -4.078 -4.339 -4.622 -4.927 -5.251 -5.590 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.407 -3.215 -2.403 -1.838 -1.451 -1.198 -1.049 -0.985 -0.990 -1.053 -1.167 -1.324 -1.520 -1.753 -2.024 -2.654 -2.804 -2.962 -3.130 -3.308 -3.498 -3.701 -3.918 -4.151 -4.401 -4.667 -4.949 -5.246 -5.553 -5.867 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.375 -3.182 -2.371 -1.807 -1.420 -1.168 -1.020 -0.955 -0.960 -1.022 -1.134 -1.289 -1.482 -1.710 -1.974 -2.593 -2.737 -2.888 -3.048 -3.217 -3.395 -3.584 -3.785 -3.998 -4.224 -4.463 -4.715 -4.979 -5.253 -5.534 -5.820 99999.999 99999.999 99999.999 99999.999 99999.999 -4.344 -3.150 -2.339 -1.776 -1.390 -1.138 -0.990 -0.926 -0.931 -0.992 -1.103 -1.256 -1.446 -1.670 -1.927 -2.535 -2.674 -2.820 -2.974 -3.135 -3.304 -3.483 -3.670 -3.868 -4.077 -4.296 -4.525 -4.765 -5.013 -5.269 -5.529 -5.792 -6.056 99999.999 99999.999 99999.999 -4.313 -3.118 -2.308 -1.745 -1.361 -1.109 -0.962 -0.898 -0.902 -0.962 -1.072 -1.223 -1.411 -1.631 -1.883 -2.480 -2.615 -2.757 -2.905 -3.060 -3.222 -3.391 -3.569 -3.755 -3.950 -4.154 -4.367 -4.588 -4.816 -5.051 -5.291 -5.534 -5.779 -6.023 99999.999 99999.999 -4.284 -3.087 -2.277 -1.716 -1.331 -1.081 -0.934 -0.869 -0.873 -0.933 -1.042 -1.191 -1.377 -1.594 -1.842 -2.427 -2.560 -2.697 -2.841 -2.990 -3.146 -3.309 -3.478 -3.655 -3.839 -4.031 -4.231 -4.437 -4.650 -4.869 -5.092 -5.319 -5.547 -5.776 -6.004 -6.228 -4.255 -3.057 -2.247 -1.686 -1.303 -1.052 -0.906 -0.842 -0.845 -0.905 -1.012 -1.160 -1.343 -1.559 -1.803 -2.378 -2.507 -2.641 -2.780 -2.925 -3.076 -3.233 -3.396 -3.565 -3.740 -3.922 -4.111 -4.306 -4.506 -4.712 -4.922 -5.135 -5.350 -5.566 -5.782 -5.996 -4.007 -2.783 -1.971 -1.415 -1.037 -0.791 -0.648 -0.584 -0.586 -0.641 -0.740 -0.877 -1.046 -1.242 -1.463 -1.967 -2.078 -2.191 -2.308 -2.427 -2.550 -2.675 -2.803 -2.934 -3.068 -3.205 -3.345 -3.487 -3.631 -3.778 -3.927 -4.078 -4.231 -4.385 -4.541 -4.697 -3.820 -2.556 -1.735 -1.179 -0.804 -0.561 -0.420 -0.358 -0.358 -0.411 -0.505 -0.635 -0.794 -0.979 -1.186 -1.652 -1.753 -1.857 -1.962 -2.070 -2.180 -2.292 -2.406 -2.522 -2.640 -2.760 -2.881 -3.005 -3.130 -3.256 -3.384 -3.514 -3.645 -3.777 -3.910 -4.044 -3.681 -2.366 -1.531 -0.971 -0.597 -0.356 -0.217 -0.155 -0.156 -0.206 -0.297 -0.422 -0.576 -0.753 -0.949 -1.392 -1.487 -1.584 -1.683 -1.784 -1.886 -1.991 -2.097 -2.204 -2.313 -2.424 -2.535 -2.649 -2.763 -2.879 -2.996 -3.114 -3.233 -3.353 -3.474 -3.596 -3.581 -2.207 -1.352 -0.786 -0.411 -0.171 -0.032 0.028 0.028 -0.022 -0.111 -0.233 -0.381 -0.552 -0.742 -1.168 -1.259 -1.352 -1.446 -1.542 -1.640 -1.739 -1.840 -1.942 -2.045 -2.149 -2.255 -2.361 -2.469 -2.578 -2.688 -2.798 -2.910 -3.023 -3.136 -3.250 -3.513 -2.073 -1.195 -0.621 -0.242 -0.002 0.136 0.196 0.195 0.146 0.059 -0.061 -0.206 -0.373 -0.558 -0.970 -1.058 -1.148 -1.239 -1.332 -1.426 -1.522 -1.619 -1.717 -1.816 -1.916 -2.017 -2.119 -2.222 -2.326 -2.431 -2.537 -2.643 -2.751 -2.859 -2.967 -3.472 -1.959 -1.056 -0.471 -0.089 0.153 0.291 0.350 0.350 0.301 0.214 0.097 -0.046 -0.209 -0.390 -0.793 -0.879 -0.967 -1.055 -1.146 -1.237 -1.330 -1.424 -1.519 -1.615 -1.712 -1.810 -1.909 -2.008 -2.109 -2.210 -2.312 -2.415 -2.519 -2.623 -2.728 -3.454 -1.863 -0.932 -0.335 0.052 0.295 0.434 0.494 0.493 0.445 0.359 0.243 0.102 -0.059 -0.237 -0.633 -0.717 -0.802 -0.889 -0.978 -1.067 -1.158 -1.250 -1.342 -1.436 -1.531 -1.626 -1.723 -1.820 -1.918 -2.016 -2.116 -2.216 -2.316 -2.418 -2.520 99999.999 -1.783 -0.821 -0.212 0.182 0.428 0.567 0.628 0.627 0.579 0.493 0.378 0.239 0.079 -0.096 -0.485 -0.568 -0.652 -0.738 -0.825 -0.913 -1.002 -1.092 -1.183 -1.275 -1.367 -1.461 -1.555 -1.651 -1.747 -1.843 -1.940 -2.038 -2.137 -2.236 -2.336 AgF,aq AgF(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 2 1.000 18 1.000 23 -0.421 -0.400 -0.428 -0.482 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.420 -0.400 -0.428 -0.482 -0.555 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.420 -0.400 -0.428 -0.482 -0.555 -0.644 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.420 -0.400 -0.427 -0.481 -0.554 -0.643 -0.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.419 -0.399 -0.427 -0.481 -0.553 -0.643 -0.748 -0.871 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.418 -0.398 -0.426 -0.480 -0.552 -0.641 -0.747 -0.869 -1.011 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.416 -0.396 -0.424 -0.478 -0.551 -0.640 -0.744 -0.866 -1.008 -1.174 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.414 -0.394 -0.422 -0.476 -0.548 -0.637 -0.741 -0.863 -1.003 -1.168 -1.367 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.410 -0.391 -0.419 -0.473 -0.545 -0.633 -0.737 -0.857 -0.997 -1.160 -1.356 -1.600 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.406 -0.387 -0.415 -0.469 -0.541 -0.628 -0.731 -0.850 -0.988 -1.149 -1.341 -1.578 -1.885 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.400 -0.382 -0.411 -0.464 -0.535 -0.622 -0.724 -0.841 -0.977 -1.135 -1.322 -1.551 -1.843 -2.244 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.393 -0.376 -0.404 -0.457 -0.528 -0.614 -0.714 -0.830 -0.963 -1.117 -1.298 -1.517 -1.792 -2.159 -2.747 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.388 -0.371 -0.399 -0.452 -0.523 -0.608 -0.707 -0.822 -0.953 -1.104 -1.281 -1.493 -1.755 -2.100 -2.632 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.380 -0.364 -0.393 -0.445 -0.515 -0.599 -0.697 -0.810 -0.938 -1.085 -1.256 -1.459 -1.706 -2.022 -2.492 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.373 -0.358 -0.386 -0.438 -0.507 -0.590 -0.687 -0.798 -0.924 -1.068 -1.233 -1.427 -1.660 -1.952 -2.370 -3.136 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.366 -0.351 -0.380 -0.432 -0.500 -0.582 -0.678 -0.786 -0.910 -1.051 -1.211 -1.397 -1.617 -1.888 -2.263 -2.754 -3.046 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.359 -0.345 -0.373 -0.425 -0.493 -0.574 -0.668 -0.775 -0.897 -1.034 -1.190 -1.369 -1.578 -1.829 -2.167 -2.616 -2.803 -3.054 -3.449 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.352 -0.339 -0.367 -0.419 -0.486 -0.566 -0.659 -0.765 -0.884 -1.018 -1.170 -1.342 -1.541 -1.776 -2.081 -2.515 -2.669 -2.851 -3.080 -3.393 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.346 -0.333 -0.361 -0.412 -0.479 -0.558 -0.650 -0.754 -0.871 -1.003 -1.151 -1.317 -1.507 -1.727 -2.004 -2.433 -2.568 -2.721 -2.898 -3.111 -3.380 -3.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.340 -0.327 -0.355 -0.406 -0.472 -0.551 -0.641 -0.744 -0.859 -0.988 -1.132 -1.293 -1.475 -1.682 -1.936 -2.361 -2.485 -2.620 -2.771 -2.943 -3.143 -3.383 -3.672 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.334 -0.322 -0.350 -0.400 -0.466 -0.543 -0.633 -0.734 -0.847 -0.974 -1.114 -1.270 -1.445 -1.641 -1.875 -2.297 -2.412 -2.535 -2.670 -2.819 -2.986 -3.175 -3.394 -3.646 -3.933 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.328 -0.316 -0.344 -0.394 -0.459 -0.536 -0.625 -0.724 -0.836 -0.960 -1.097 -1.249 -1.417 -1.604 -1.820 -2.239 -2.347 -2.462 -2.585 -2.719 -2.865 -3.026 -3.206 -3.407 -3.632 -3.881 -4.151 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.323 -0.311 -0.339 -0.388 -0.453 -0.529 -0.616 -0.715 -0.824 -0.946 -1.081 -1.228 -1.391 -1.570 -1.772 -2.186 -2.288 -2.396 -2.510 -2.633 -2.765 -2.908 -3.064 -3.235 -3.422 -3.626 -3.846 -4.079 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.317 -0.305 -0.333 -0.383 -0.446 -0.522 -0.608 -0.705 -0.813 -0.933 -1.065 -1.209 -1.366 -1.538 -1.730 -2.137 -2.234 -2.336 -2.443 -2.557 -2.679 -2.809 -2.949 -3.100 -3.262 -3.436 -3.623 -3.820 -4.026 -4.238 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.312 -0.300 -0.328 -0.377 -0.440 -0.515 -0.601 -0.696 -0.803 -0.920 -1.049 -1.190 -1.343 -1.509 -1.692 -2.091 -2.184 -2.280 -2.382 -2.490 -2.603 -2.723 -2.851 -2.988 -3.133 -3.287 -3.450 -3.622 -3.801 -3.985 -4.172 99999.999 99999.999 99999.999 99999.999 99999.999 -0.307 -0.295 -0.323 -0.371 -0.434 -0.508 -0.593 -0.687 -0.792 -0.908 -1.034 -1.172 -1.322 -1.483 -1.658 -2.048 -2.137 -2.229 -2.326 -2.428 -2.534 -2.647 -2.766 -2.891 -3.024 -3.163 -3.310 -3.463 -3.622 -3.786 -3.952 -4.120 -4.285 99999.999 99999.999 99999.999 -0.302 -0.291 -0.318 -0.366 -0.428 -0.502 -0.585 -0.679 -0.782 -0.896 -1.020 -1.155 -1.301 -1.458 -1.627 -2.007 -2.093 -2.181 -2.274 -2.371 -2.472 -2.578 -2.689 -2.806 -2.929 -3.057 -3.191 -3.330 -3.475 -3.623 -3.773 -3.925 -4.076 -4.225 99999.999 99999.999 -0.298 -0.286 -0.313 -0.361 -0.423 -0.495 -0.578 -0.670 -0.772 -0.884 -1.006 -1.139 -1.281 -1.435 -1.599 -1.969 -2.051 -2.136 -2.225 -2.317 -2.414 -2.515 -2.620 -2.730 -2.844 -2.964 -3.088 -3.217 -3.349 -3.485 -3.623 -3.763 -3.902 -4.040 -4.174 -4.304 -0.293 -0.281 -0.308 -0.356 -0.417 -0.489 -0.571 -0.662 -0.762 -0.872 -0.992 -1.122 -1.262 -1.412 -1.573 -1.932 -2.012 -2.094 -2.179 -2.268 -2.360 -2.456 -2.556 -2.660 -2.768 -2.880 -2.997 -3.117 -3.240 -3.366 -3.495 -3.624 -3.754 -3.882 -4.009 -4.131 -0.258 -0.242 -0.265 -0.309 -0.365 -0.431 -0.505 -0.586 -0.674 -0.770 -0.873 -0.983 -1.100 -1.224 -1.355 -1.638 -1.698 -1.760 -1.824 -1.889 -1.956 -2.024 -2.094 -2.166 -2.239 -2.314 -2.391 -2.470 -2.550 -2.631 -2.714 -2.797 -2.882 -2.967 -3.053 -3.138 -0.237 -0.211 -0.230 -0.269 -0.321 -0.382 -0.449 -0.522 -0.601 -0.686 -0.776 -0.871 -0.971 -1.077 -1.188 -1.423 -1.473 -1.523 -1.574 -1.627 -1.680 -1.734 -1.790 -1.846 -1.904 -1.962 -2.022 -2.082 -2.144 -2.207 -2.270 -2.335 -2.400 -2.466 -2.533 -2.601 -0.226 -0.189 -0.201 -0.236 -0.283 -0.339 -0.401 -0.468 -0.539 -0.615 -0.694 -0.778 -0.866 -0.957 -1.053 -1.254 -1.296 -1.338 -1.381 -1.425 -1.470 -1.515 -1.561 -1.607 -1.655 -1.703 -1.752 -1.801 -1.852 -1.903 -1.955 -2.008 -2.061 -2.115 -2.170 -2.226 -0.224 -0.173 -0.178 -0.207 -0.250 -0.301 -0.358 -0.420 -0.485 -0.553 -0.624 -0.699 -0.776 -0.857 -0.940 -1.114 -1.150 -1.187 -1.224 -1.262 -1.300 -1.338 -1.378 -1.417 -1.457 -1.498 -1.540 -1.581 -1.624 -1.667 -1.711 -1.755 -1.800 -1.846 -1.892 -1.939 -0.229 -0.161 -0.159 -0.183 -0.221 -0.268 -0.321 -0.377 -0.437 -0.499 -0.564 -0.630 -0.699 -0.770 -0.844 -0.997 -1.028 -1.060 -1.093 -1.125 -1.158 -1.192 -1.226 -1.260 -1.295 -1.330 -1.366 -1.402 -1.438 -1.476 -1.513 -1.551 -1.590 -1.630 -1.669 -1.710 -0.239 -0.154 -0.143 -0.162 -0.196 -0.239 -0.287 -0.340 -0.394 -0.451 -0.510 -0.570 -0.632 -0.695 -0.760 -0.895 -0.923 -0.951 -0.980 -1.009 -1.038 -1.067 -1.097 -1.127 -1.157 -1.188 -1.219 -1.251 -1.283 -1.315 -1.348 -1.382 -1.416 -1.450 -1.485 -1.520 -0.254 -0.151 -0.131 -0.144 -0.174 -0.212 -0.257 -0.305 -0.356 -0.408 -0.462 -0.517 -0.572 -0.629 -0.687 -0.807 -0.832 -0.857 -0.882 -0.907 -0.933 -0.959 -0.985 -1.012 -1.039 -1.066 -1.094 -1.122 -1.150 -1.179 -1.208 -1.237 -1.267 -1.298 -1.329 -1.360 99999.999 -0.150 -0.122 -0.129 -0.154 -0.189 -0.230 -0.274 -0.321 -0.369 -0.419 -0.468 -0.519 -0.570 -0.622 -0.729 -0.751 -0.773 -0.796 -0.818 -0.841 -0.864 -0.888 -0.911 -0.935 -0.960 -0.984 -1.009 -1.035 -1.060 -1.086 -1.113 -1.140 -1.167 -1.195 -1.223 Ag(OH),aq Ag(OH)(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 1.000 Ref: Shock07 3 -1.000 1 1.000 18 1.000 2 12.775 12.079 11.568 11.189 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.775 12.079 11.568 11.189 10.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.775 12.079 11.568 11.188 10.906 10.697 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.774 12.078 11.568 11.188 10.905 10.696 10.544 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.773 12.077 11.567 11.187 10.904 10.695 10.543 10.436 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.772 12.076 11.565 11.186 10.903 10.694 10.542 10.435 10.363 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.769 12.073 11.563 11.184 10.901 10.692 10.541 10.434 10.362 10.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.765 12.070 11.560 11.181 10.899 10.690 10.538 10.432 10.360 10.316 10.293 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.760 12.065 11.556 11.177 10.895 10.687 10.535 10.428 10.357 10.313 10.291 10.284 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.753 12.059 11.550 11.172 10.890 10.682 10.531 10.424 10.353 10.310 10.288 10.281 10.284 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.745 12.051 11.543 11.165 10.884 10.676 10.525 10.419 10.348 10.305 10.284 10.278 10.283 10.291 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.733 12.041 11.533 11.156 10.875 10.668 10.518 10.412 10.342 10.299 10.279 10.274 10.281 10.292 10.292 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.724 12.033 11.526 11.149 10.869 10.662 10.512 10.407 10.337 10.295 10.275 10.271 10.279 10.292 10.297 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.711 12.021 11.515 11.139 10.859 10.653 10.504 10.399 10.329 10.288 10.269 10.266 10.275 10.292 10.303 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.698 12.009 11.504 11.129 10.850 10.644 10.495 10.391 10.322 10.281 10.263 10.261 10.272 10.291 10.307 10.411 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.685 11.997 11.493 11.119 10.841 10.635 10.487 10.383 10.315 10.274 10.256 10.256 10.268 10.289 10.310 10.431 10.442 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.672 11.986 11.483 11.109 10.831 10.626 10.479 10.375 10.307 10.268 10.250 10.250 10.264 10.287 10.312 10.432 10.451 10.465 10.463 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.659 11.974 11.472 11.099 10.822 10.618 10.470 10.367 10.300 10.261 10.244 10.245 10.260 10.284 10.313 10.430 10.451 10.471 10.487 10.495 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.646 11.962 11.461 11.089 10.812 10.609 10.462 10.360 10.292 10.254 10.237 10.239 10.255 10.282 10.313 10.428 10.450 10.472 10.493 10.511 10.524 10.528 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.633 11.951 11.450 11.079 10.803 10.600 10.453 10.352 10.285 10.247 10.231 10.233 10.250 10.278 10.313 10.426 10.448 10.471 10.494 10.515 10.535 10.551 10.562 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.620 11.939 11.439 11.069 10.793 10.591 10.445 10.344 10.278 10.240 10.224 10.227 10.245 10.274 10.311 10.423 10.446 10.469 10.493 10.516 10.539 10.560 10.579 10.594 10.606 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.607 11.927 11.429 11.059 10.784 10.582 10.437 10.336 10.270 10.233 10.218 10.221 10.240 10.270 10.309 10.419 10.443 10.467 10.491 10.516 10.540 10.563 10.586 10.607 10.626 10.642 10.656 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.594 11.915 11.418 11.049 10.775 10.573 10.428 10.328 10.263 10.226 10.211 10.215 10.235 10.266 10.306 10.416 10.440 10.464 10.489 10.514 10.539 10.564 10.589 10.613 10.635 10.657 10.677 10.695 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.581 11.904 11.407 11.039 10.765 10.564 10.420 10.320 10.255 10.218 10.205 10.209 10.229 10.261 10.302 10.412 10.436 10.461 10.486 10.512 10.538 10.564 10.590 10.615 10.640 10.665 10.688 10.711 10.733 10.754 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.568 11.892 11.396 11.029 10.756 10.555 10.411 10.312 10.248 10.211 10.198 10.203 10.223 10.256 10.298 10.408 10.433 10.458 10.483 10.510 10.536 10.563 10.589 10.616 10.643 10.669 10.694 10.720 10.744 10.769 10.793 99999.999 99999.999 99999.999 99999.999 99999.999 12.556 11.880 11.385 11.018 10.746 10.547 10.403 10.304 10.240 10.204 10.191 10.197 10.217 10.251 10.294 10.404 10.429 10.454 10.480 10.507 10.534 10.561 10.588 10.616 10.643 10.671 10.698 10.725 10.752 10.778 10.805 10.832 10.859 99999.999 99999.999 99999.999 12.543 11.869 11.375 11.008 10.737 10.538 10.395 10.296 10.232 10.197 10.185 10.190 10.212 10.245 10.289 10.400 10.425 10.451 10.477 10.504 10.531 10.559 10.586 10.615 10.643 10.671 10.699 10.727 10.756 10.784 10.812 10.840 10.869 10.899 99999.999 99999.999 12.530 11.857 11.364 10.998 10.727 10.529 10.386 10.288 10.225 10.190 10.178 10.184 10.206 10.240 10.284 10.396 10.421 10.447 10.473 10.500 10.528 10.556 10.584 10.613 10.642 10.671 10.700 10.729 10.758 10.787 10.816 10.846 10.876 10.906 10.937 10.969 12.517 11.845 11.353 10.988 10.718 10.520 10.378 10.280 10.217 10.183 10.171 10.178 10.200 10.234 10.279 10.391 10.417 10.443 10.470 10.497 10.525 10.553 10.582 10.611 10.640 10.669 10.699 10.729 10.759 10.789 10.819 10.849 10.880 10.911 10.943 10.975 12.388 11.728 11.245 10.888 10.624 10.431 10.293 10.200 10.141 10.111 10.102 10.113 10.138 10.176 10.224 10.344 10.371 10.399 10.427 10.456 10.486 10.516 10.547 10.578 10.610 10.642 10.675 10.707 10.740 10.773 10.807 10.841 10.874 10.909 10.943 10.978 12.259 11.612 11.138 10.788 10.529 10.342 10.209 10.120 10.065 10.038 10.033 10.047 10.075 10.116 10.167 10.293 10.321 10.350 10.380 10.410 10.441 10.473 10.505 10.537 10.570 10.604 10.638 10.672 10.706 10.741 10.775 10.810 10.846 10.881 10.917 10.952 12.132 11.496 11.031 10.688 10.436 10.253 10.125 10.040 9.989 9.965 9.964 9.981 10.012 10.056 10.109 10.240 10.269 10.299 10.330 10.361 10.393 10.426 10.459 10.493 10.527 10.561 10.596 10.631 10.666 10.702 10.738 10.774 10.810 10.847 10.883 10.920 12.004 11.381 10.924 10.588 10.342 10.165 10.042 9.960 9.913 9.893 9.895 9.914 9.949 9.995 10.051 10.186 10.217 10.247 10.279 10.311 10.344 10.378 10.412 10.446 10.481 10.516 10.552 10.588 10.624 10.661 10.698 10.735 10.772 10.809 10.846 10.884 11.878 11.266 10.818 10.490 10.250 10.078 9.959 9.881 9.838 9.821 9.825 9.848 9.885 9.934 9.993 10.132 10.163 10.195 10.227 10.261 10.294 10.329 10.363 10.399 10.434 10.470 10.507 10.544 10.581 10.618 10.656 10.693 10.731 10.769 10.807 10.846 11.752 11.152 10.713 10.392 10.157 9.991 9.876 9.803 9.762 9.749 9.757 9.782 9.822 9.873 9.934 10.078 10.110 10.142 10.176 10.210 10.244 10.279 10.315 10.351 10.387 10.424 10.461 10.498 10.536 10.574 10.612 10.651 10.689 10.728 10.767 10.806 11.627 11.039 10.609 10.294 10.066 9.904 9.794 9.725 9.688 9.677 9.688 9.716 9.759 9.812 9.876 10.024 10.057 10.090 10.124 10.158 10.194 10.229 10.266 10.302 10.339 10.377 10.415 10.453 10.491 10.530 10.569 10.608 10.647 10.686 10.725 10.765 99999.999 10.927 10.505 10.197 9.975 9.818 9.712 9.647 9.614 9.607 9.620 9.651 9.696 9.752 9.817 9.970 10.003 10.037 10.072 10.107 10.143 10.179 10.216 10.254 10.291 10.330 10.368 10.407 10.446 10.485 10.524 10.564 10.604 10.644 10.684 10.724 AgO- AgO(-1) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 2.000 Ref: Shock07 3 -2.000 1 1.000 18 1.000 2 25.858 24.014 22.538 21.336 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.858 24.014 22.538 21.336 20.347 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.857 24.013 22.537 21.335 20.347 19.530 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.856 24.012 22.536 21.334 20.346 19.529 18.852 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.854 24.011 22.535 21.333 20.344 19.527 18.850 18.291 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.851 24.008 22.532 21.330 20.342 19.525 18.848 18.288 17.830 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.847 24.004 22.528 21.327 20.338 19.521 18.844 18.284 17.826 17.458 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.841 23.998 22.523 21.321 20.333 19.516 18.838 18.278 17.819 17.451 17.168 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.832 23.990 22.515 21.314 20.326 19.508 18.831 18.270 17.811 17.441 17.156 16.958 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.821 23.979 22.505 21.304 20.316 19.499 18.821 18.260 17.799 17.428 17.141 16.938 16.834 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.805 23.965 22.492 21.291 20.303 19.486 18.808 18.246 17.785 17.412 17.121 16.913 16.797 16.815 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.786 23.947 22.474 21.275 20.287 19.470 18.791 18.229 17.766 17.390 17.096 16.881 16.753 16.739 16.976 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.771 23.933 22.461 21.262 20.274 19.457 18.778 18.215 17.751 17.374 17.077 16.858 16.721 16.689 16.849 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.750 23.913 22.442 21.243 20.256 19.439 18.760 18.196 17.731 17.352 17.051 16.826 16.678 16.623 16.719 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.728 23.893 22.423 21.225 20.239 19.421 18.741 18.177 17.711 17.330 17.026 16.795 16.638 16.565 16.618 17.933 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.707 23.874 22.404 21.207 20.221 19.403 18.723 18.158 17.691 17.308 17.001 16.765 16.600 16.513 16.532 16.974 17.447 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.686 23.854 22.386 21.189 20.203 19.386 18.706 18.140 17.671 17.286 16.977 16.737 16.564 16.464 16.458 16.693 16.904 17.247 17.787 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.665 23.834 22.367 21.171 20.185 19.368 18.688 18.121 17.652 17.266 16.954 16.709 16.530 16.419 16.392 16.528 16.656 16.845 17.121 17.511 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.644 23.815 22.348 21.153 20.168 19.351 18.670 18.103 17.633 17.245 16.931 16.683 16.498 16.378 16.332 16.409 16.497 16.621 16.792 17.026 17.334 17.720 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.623 23.795 22.330 21.135 20.151 19.333 18.653 18.085 17.614 17.225 16.908 16.657 16.468 16.339 16.278 16.315 16.378 16.466 16.586 16.743 16.948 17.205 17.515 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.602 23.776 22.312 21.118 20.133 19.316 18.635 18.068 17.595 17.205 16.887 16.633 16.438 16.302 16.229 16.235 16.282 16.348 16.437 16.552 16.698 16.880 17.101 17.360 17.652 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.581 23.756 22.293 21.100 20.116 19.299 18.618 18.050 17.577 17.185 16.865 16.609 16.410 16.268 16.184 16.166 16.201 16.252 16.319 16.407 16.518 16.655 16.820 17.014 17.236 17.483 17.748 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.561 23.737 22.275 21.082 20.099 19.282 18.601 18.033 17.559 17.166 16.844 16.585 16.383 16.236 16.143 16.105 16.131 16.170 16.223 16.292 16.378 16.485 16.613 16.764 16.938 17.132 17.345 17.572 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.540 23.718 22.257 21.065 20.082 19.265 18.584 18.015 17.541 17.147 16.824 16.562 16.357 16.205 16.104 16.050 16.068 16.098 16.140 16.195 16.265 16.350 16.453 16.573 16.712 16.869 17.042 17.229 17.426 17.631 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.520 23.699 22.239 21.047 20.065 19.248 18.567 17.998 17.523 17.128 16.803 16.540 16.332 16.176 16.069 15.999 16.011 16.034 16.067 16.112 16.168 16.238 16.322 16.420 16.534 16.663 16.806 16.961 17.128 17.302 17.482 99999.999 99999.999 99999.999 99999.999 99999.999 25.499 23.680 22.221 21.030 20.048 19.232 18.551 17.981 17.505 17.110 16.784 16.518 16.308 16.148 16.036 15.951 15.959 15.976 16.002 16.038 16.085 16.142 16.212 16.294 16.389 16.496 16.616 16.747 16.888 17.038 17.193 17.353 17.514 99999.999 99999.999 99999.999 25.479 23.661 22.203 21.013 20.031 19.215 18.534 17.964 17.488 17.092 16.764 16.497 16.284 16.121 16.004 15.907 15.911 15.922 15.943 15.972 16.010 16.059 16.117 16.186 16.266 16.357 16.459 16.571 16.692 16.821 16.956 17.097 17.240 17.384 99999.999 99999.999 25.459 23.642 22.185 20.996 20.014 19.199 18.517 17.947 17.471 17.073 16.745 16.476 16.262 16.095 15.975 15.866 15.866 15.873 15.888 15.912 15.944 15.984 16.034 16.093 16.161 16.239 16.326 16.422 16.527 16.639 16.758 16.882 17.009 17.139 17.269 17.398 25.439 23.623 22.167 20.978 19.998 19.182 18.501 17.931 17.454 17.056 16.726 16.456 16.239 16.071 15.946 15.826 15.823 15.827 15.838 15.856 15.883 15.917 15.959 16.009 16.068 16.136 16.212 16.295 16.387 16.485 16.590 16.699 16.813 16.929 17.047 17.166 25.242 23.438 21.992 20.810 19.835 19.022 18.342 17.770 17.290 16.886 16.548 16.268 16.036 15.849 15.702 15.512 15.489 15.472 15.459 15.451 15.448 15.450 15.455 15.466 15.481 15.500 15.523 15.550 15.582 15.617 15.655 15.698 15.743 15.791 15.842 15.896 25.052 23.259 21.822 20.648 19.678 18.869 18.190 17.619 17.137 16.730 16.387 16.100 15.860 15.662 15.501 15.274 15.243 15.216 15.192 15.173 15.158 15.146 15.138 15.133 15.132 15.134 15.140 15.148 15.160 15.174 15.191 15.211 15.233 15.258 15.285 15.314 24.867 23.085 21.657 20.490 19.525 18.720 18.044 17.474 16.992 16.584 16.238 15.946 15.700 15.495 15.325 15.076 15.040 15.006 14.977 14.951 14.929 14.910 14.894 14.882 14.872 14.865 14.861 14.860 14.861 14.865 14.871 14.880 14.891 14.904 14.919 14.936 24.686 22.915 21.496 20.336 19.377 18.576 17.904 17.335 16.854 16.445 16.098 15.803 15.553 15.343 15.167 14.903 14.863 14.826 14.792 14.762 14.735 14.712 14.691 14.673 14.658 14.646 14.637 14.629 14.625 14.622 14.622 14.624 14.628 14.634 14.642 14.651 24.510 22.748 21.338 20.185 19.232 18.436 17.767 17.201 16.721 16.312 15.964 15.668 15.416 15.202 15.022 14.747 14.704 14.664 14.628 14.595 14.565 14.538 14.514 14.493 14.475 14.459 14.445 14.434 14.425 14.418 14.414 14.411 14.410 14.412 14.415 14.420 24.336 22.585 21.183 20.038 19.090 18.299 17.633 17.070 16.592 16.184 15.836 15.539 15.285 15.069 14.886 14.604 14.559 14.517 14.479 14.444 14.412 14.383 14.356 14.333 14.311 14.293 14.276 14.262 14.250 14.241 14.233 14.227 14.224 14.222 14.221 14.223 24.164 22.423 21.031 19.893 18.951 18.165 17.503 16.943 16.466 16.060 15.713 15.415 15.161 14.944 14.759 14.470 14.424 14.381 14.341 14.305 14.271 14.240 14.212 14.186 14.163 14.143 14.124 14.108 14.094 14.082 14.072 14.064 14.058 14.054 14.051 14.050 99999.999 22.264 20.881 19.751 18.815 18.033 17.375 16.818 16.344 15.940 15.593 15.296 15.041 14.823 14.637 14.345 14.298 14.254 14.213 14.175 14.140 14.108 14.078 14.051 14.027 14.005 13.985 13.967 13.952 13.938 13.927 13.917 13.909 13.903 13.899 13.896 Ag(HS),aq Ag(HS)(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 2 1.000 18 1.000 6 -16.472 -14.898 -13.578 -12.459 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -16.472 -14.898 -13.578 -12.459 -11.504 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -16.472 -14.897 -13.578 -12.459 -11.504 -10.685 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -16.472 -14.897 -13.577 -12.459 -11.504 -10.684 -9.981 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -16.471 -14.896 -13.576 -12.458 -11.503 -10.683 -9.980 -9.376 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -16.470 -14.895 -13.575 -12.457 -11.502 -10.682 -9.978 -9.375 -8.861 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -16.468 -14.894 -13.574 -12.455 -11.500 -10.680 -9.976 -9.372 -8.858 -8.429 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -16.465 -14.891 -13.571 -12.453 -11.497 -10.677 -9.973 -9.368 -8.853 -8.423 -8.078 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -16.461 -14.888 -13.568 -12.450 -11.494 -10.674 -9.968 -9.363 -8.847 -8.415 -8.067 -7.811 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -16.457 -14.884 -13.564 -12.445 -11.489 -10.669 -9.962 -9.356 -8.839 -8.404 -8.052 -7.790 -7.636 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -16.450 -14.878 -13.559 -12.440 -11.484 -10.662 -9.955 -9.347 -8.828 -8.391 -8.034 -7.763 -7.595 -7.574 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -16.443 -14.872 -13.552 -12.433 -11.476 -10.654 -9.946 -9.336 -8.815 -8.374 -8.011 -7.731 -7.546 -7.489 -7.703 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 -16.394 -14.827 -13.509 -12.388 -11.428 -10.600 -9.884 -9.263 -8.727 -8.265 -7.872 -7.542 -7.275 -7.075 -6.961 -6.763 -6.794 -6.854 -6.954 -7.108 -7.335 -7.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -16.389 -14.822 -13.503 -12.382 -11.421 -10.593 -9.875 -9.254 -8.715 -8.251 -7.854 -7.520 -7.245 -7.033 -6.896 -6.679 -6.692 -6.725 -6.784 -6.876 -7.010 -7.195 -7.440 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -16.383 -14.816 -13.498 -12.376 -11.415 -10.586 -9.867 -9.244 -8.704 -8.238 -7.837 -7.498 -7.217 -6.994 -6.839 -6.607 -6.606 -6.622 -6.657 -6.714 -6.799 -6.917 -7.074 -7.273 -7.511 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -16.377 -14.811 -13.492 -12.371 -11.409 -10.579 -9.860 -9.235 -8.693 -8.225 -7.821 -7.478 -7.191 -6.959 -6.788 -6.543 -6.533 -6.536 -6.554 -6.589 -6.645 -6.724 -6.829 -6.964 -7.129 -7.323 -7.541 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -16.372 -14.806 -13.487 -12.365 -11.403 -10.572 -9.852 -9.226 -8.683 -8.212 -7.806 -7.459 -7.167 -6.927 -6.742 -6.486 -6.468 -6.461 -6.467 -6.487 -6.522 -6.576 -6.649 -6.744 -6.861 -7.001 -7.161 -7.339 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -16.367 -14.801 -13.482 -12.360 -11.397 -10.566 -9.845 -9.218 -8.673 -8.200 -7.791 -7.441 -7.144 -6.897 -6.702 -6.434 -6.409 -6.395 -6.391 -6.399 -6.421 -6.456 -6.507 -6.575 -6.660 -6.763 -6.883 -7.018 -7.165 -7.321 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -16.363 -14.797 -13.478 -12.355 -11.392 -10.560 -9.838 -9.209 -8.663 -8.188 -7.777 -7.423 -7.122 -6.870 -6.666 -6.386 -6.356 -6.335 -6.324 -6.323 -6.333 -6.355 -6.390 -6.438 -6.501 -6.577 -6.668 -6.772 -6.887 -7.010 -7.140 99999.999 99999.999 99999.999 99999.999 99999.999 -16.358 -14.792 -13.473 -12.350 -11.386 -10.554 -9.831 -9.201 -8.653 -8.177 -7.763 -7.407 -7.102 -6.845 -6.634 -6.342 -6.307 -6.280 -6.263 -6.254 -6.256 -6.267 -6.290 -6.324 -6.369 -6.427 -6.496 -6.576 -6.666 -6.764 -6.869 -6.977 -7.087 99999.999 99999.999 99999.999 -16.354 -14.788 -13.469 -12.345 -11.381 -10.548 -9.824 -9.193 -8.644 -8.166 -7.750 -7.391 -7.083 -6.821 -6.604 -6.300 -6.261 -6.230 -6.207 -6.192 -6.187 -6.190 -6.203 -6.225 -6.258 -6.301 -6.353 -6.415 -6.486 -6.565 -6.649 -6.738 -6.829 -6.921 99999.999 99999.999 -16.350 -14.784 -13.464 -12.341 -11.376 -10.542 -9.817 -9.186 -8.635 -8.155 -7.737 -7.376 -7.064 -6.799 -6.577 -6.261 -6.219 -6.183 -6.156 -6.136 -6.124 -6.120 -6.125 -6.138 -6.161 -6.192 -6.232 -6.280 -6.336 -6.398 -6.467 -6.540 -6.616 -6.693 -6.770 -6.844 -16.347 -14.780 -13.460 -12.336 -11.371 -10.536 -9.811 -9.178 -8.626 -8.144 -7.725 -7.361 -7.047 -6.778 -6.552 -6.224 -6.179 -6.140 -6.108 -6.083 -6.066 -6.057 -6.055 -6.061 -6.075 -6.096 -6.126 -6.163 -6.206 -6.257 -6.312 -6.372 -6.435 -6.500 -6.566 -6.630 -16.322 -14.751 -13.427 -12.299 -11.329 -10.488 -9.755 -9.113 -8.550 -8.054 -7.618 -7.235 -6.898 -6.604 -6.347 -5.938 -5.871 -5.810 -5.754 -5.702 -5.655 -5.613 -5.575 -5.543 -5.514 -5.490 -5.471 -5.455 -5.444 -5.437 -5.433 -5.432 -5.435 -5.440 -5.448 -5.458 -16.316 -14.735 -13.406 -12.273 -11.298 -10.452 -9.712 -9.063 -8.490 -7.984 -7.535 -7.138 -6.785 -6.473 -6.196 -5.738 -5.660 -5.586 -5.517 -5.452 -5.391 -5.334 -5.280 -5.231 -5.185 -5.142 -5.104 -5.068 -5.036 -5.007 -4.981 -4.958 -4.938 -4.921 -4.906 -4.894 -16.323 -14.731 -13.394 -12.256 -11.276 -10.424 -9.679 -9.023 -8.443 -7.928 -7.469 -7.060 -6.695 -6.369 -6.078 -5.585 -5.499 -5.418 -5.340 -5.267 -5.196 -5.130 -5.067 -5.007 -4.950 -4.897 -4.847 -4.800 -4.756 -4.715 -4.676 -4.641 -4.607 -4.577 -4.549 -4.523 -16.343 -14.735 -13.391 -12.246 -11.261 -10.404 -9.654 -8.992 -8.405 -7.883 -7.416 -6.998 -6.623 -6.286 -5.982 -5.463 -5.372 -5.285 -5.201 -5.121 -5.044 -4.971 -4.901 -4.834 -4.770 -4.709 -4.652 -4.597 -4.544 -4.495 -4.448 -4.404 -4.362 -4.323 -4.286 -4.251 -16.371 -14.747 -13.393 -12.243 -11.252 -10.390 -9.634 -8.967 -8.375 -7.846 -7.372 -6.946 -6.563 -6.217 -5.904 -5.363 -5.268 -5.176 -5.087 -5.002 -4.920 -4.842 -4.767 -4.695 -4.625 -4.559 -4.496 -4.435 -4.377 -4.321 -4.268 -4.218 -4.170 -4.124 -4.080 -4.039 -16.408 -14.765 -13.402 -12.244 -11.248 -10.381 -9.620 -8.948 -8.351 -7.816 -7.336 -6.904 -6.513 -6.159 -5.838 -5.280 -5.181 -5.085 -4.992 -4.904 -4.818 -4.735 -4.656 -4.580 -4.506 -4.435 -4.367 -4.302 -4.239 -4.179 -4.122 -4.066 -4.013 -3.963 -3.914 -3.868 -16.450 -14.787 -13.415 -12.250 -11.248 -10.376 -9.611 -8.934 -8.332 -7.792 -7.307 -6.869 -6.472 -6.111 -5.783 -5.210 -5.107 -5.008 -4.913 -4.820 -4.731 -4.646 -4.563 -4.483 -4.406 -4.332 -4.260 -4.191 -4.125 -4.061 -4.000 -3.940 -3.884 -3.829 -3.777 -3.727 99999.999 -14.814 -13.432 -12.260 -11.252 -10.375 -9.605 -8.924 -8.317 -7.773 -7.283 -6.839 -6.437 -6.071 -5.736 -5.150 -5.045 -4.943 -4.845 -4.750 -4.658 -4.569 -4.484 -4.401 -4.321 -4.244 -4.169 -4.097 -4.028 -3.961 -3.896 -3.834 -3.774 -3.717 -3.661 -3.608 Ag(HS),aq Ag(HS)(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 1.000 1 1.000 18 -2.000 31 1.000 4 135.626 123.419 112.862 103.654 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 135.626 123.419 112.862 103.654 95.545 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 135.628 123.421 112.863 103.656 95.546 88.333 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 135.632 123.424 112.866 103.659 95.549 88.336 81.861 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 135.638 123.430 112.872 103.664 95.554 88.341 81.866 76.000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 135.647 123.439 112.880 103.673 95.562 88.349 81.874 76.009 70.648 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 135.662 123.452 112.893 103.685 95.575 88.361 81.886 76.022 70.662 65.715 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 135.682 123.472 112.912 103.703 95.592 88.379 81.904 76.040 70.682 65.738 61.119 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 135.710 123.498 112.937 103.727 95.616 88.403 81.928 76.066 70.710 65.769 61.157 56.782 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 135.748 123.534 112.971 103.760 95.648 88.434 81.961 76.099 70.746 65.810 61.206 56.846 52.617 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 135.797 123.580 113.015 103.802 95.689 88.476 82.003 76.143 70.793 65.862 61.268 56.927 52.735 48.509 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 135.859 123.639 113.071 103.856 95.742 88.528 82.056 76.199 70.853 65.929 61.346 57.026 52.876 48.749 44.164 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 135.908 123.685 113.114 103.898 95.783 88.569 82.097 76.242 70.898 65.979 61.405 57.100 52.978 48.912 44.565 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 135.977 123.750 113.176 103.958 95.841 88.627 82.156 76.302 70.963 66.050 61.487 57.202 53.115 49.120 44.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 136.046 123.815 113.238 104.017 95.899 88.684 82.214 76.362 71.026 66.119 61.567 57.299 53.242 49.306 45.305 34.780 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 136.114 123.879 113.298 104.075 95.956 88.740 82.270 76.420 71.088 66.187 61.644 57.391 53.362 49.475 45.581 37.609 34.982 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 136.181 123.942 113.359 104.133 96.012 88.796 82.327 76.478 71.148 66.252 61.718 57.480 53.474 49.629 45.821 38.447 36.593 34.383 31.607 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 136.248 124.005 113.418 104.190 96.068 88.851 82.382 76.535 71.208 66.317 61.790 57.564 53.580 49.771 46.035 38.942 37.334 35.582 33.603 31.308 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 136.314 124.067 113.477 104.247 96.123 88.905 82.437 76.591 71.267 66.380 61.860 57.646 53.680 49.902 46.226 39.301 37.813 36.254 34.586 32.763 30.744 28.514 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 136.380 124.129 113.536 104.303 96.178 88.959 82.491 76.646 71.324 66.442 61.929 57.725 53.775 50.025 46.398 39.586 38.171 36.717 35.205 33.610 31.906 30.072 28.103 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 136.446 124.191 113.594 104.359 96.232 89.013 82.544 76.701 71.381 66.502 61.995 57.801 53.866 50.138 46.554 39.826 38.460 37.073 35.654 34.187 32.657 31.049 29.351 27.566 25.705 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 136.511 124.252 113.652 104.414 96.285 89.065 82.597 76.755 71.437 66.562 62.060 57.874 53.952 50.245 46.696 40.035 38.705 37.364 36.007 34.621 33.199 31.728 30.200 28.612 26.964 25.268 23.540 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 136.576 124.312 113.709 104.469 96.339 89.118 82.649 76.808 71.492 66.620 62.124 57.945 54.034 50.345 46.826 40.220 38.917 37.612 36.298 34.970 33.619 32.239 30.823 29.366 27.867 26.329 24.761 23.174 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 136.640 124.372 113.766 104.524 96.391 89.170 82.701 76.860 71.547 66.678 62.186 58.014 54.113 50.439 46.944 40.388 39.107 37.829 36.548 35.261 33.962 32.646 31.307 29.941 28.548 27.126 25.679 24.214 22.741 21.271 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 136.703 124.432 113.823 104.577 96.444 89.221 82.752 76.912 71.600 66.734 62.246 58.081 54.189 50.527 47.054 40.542 39.279 38.022 36.768 35.513 34.253 32.983 31.700 30.401 29.084 27.747 26.392 25.023 23.645 22.265 20.893 99999.999 99999.999 99999.999 99999.999 99999.999 136.767 124.491 113.879 104.631 96.495 89.272 82.803 76.963 71.653 66.789 62.306 58.146 54.262 50.611 47.155 40.684 39.436 38.197 36.964 35.735 34.505 33.272 32.032 30.782 29.522 28.249 26.965 25.670 24.368 23.064 21.763 20.473 19.200 99999.999 99999.999 99999.999 136.829 124.550 113.934 104.684 96.547 89.322 82.853 77.014 71.705 66.844 62.364 58.209 54.332 50.691 47.249 40.816 39.581 38.358 37.143 35.934 34.729 33.524 32.317 31.107 29.891 28.668 27.437 26.201 24.960 23.717 22.478 21.246 20.026 18.824 99999.999 99999.999 136.892 124.608 113.989 104.737 96.598 89.372 82.903 77.064 71.757 66.898 62.421 58.271 54.400 50.768 47.338 40.941 39.717 38.506 37.306 36.115 34.930 33.748 32.569 31.390 30.208 29.024 27.837 26.647 25.455 24.263 23.074 21.891 20.719 19.560 18.421 17.303 136.954 124.666 114.044 104.789 96.648 89.422 82.952 77.114 71.807 66.951 62.477 58.332 54.467 50.843 47.422 41.059 39.844 38.645 37.458 36.281 35.113 33.951 32.794 31.640 30.487 29.335 28.182 27.030 25.878 24.727 23.580 22.439 21.307 20.188 19.083 17.998 137.555 125.228 114.573 105.293 97.134 89.896 83.420 77.584 72.286 67.445 62.996 58.883 55.061 51.492 48.143 41.991 40.834 39.699 38.584 37.488 36.409 35.346 34.299 33.267 32.248 31.241 30.247 29.265 28.293 27.333 26.382 25.442 24.513 23.593 22.684 21.786 138.126 125.759 115.072 105.768 97.590 90.338 83.855 78.016 72.721 67.888 63.453 59.360 55.565 52.029 48.721 42.679 41.550 40.445 39.362 38.300 37.258 36.236 35.232 34.245 33.274 32.320 31.380 30.455 29.544 28.646 27.761 26.889 26.028 25.180 24.343 23.517 138.672 126.266 115.548 106.218 98.021 90.755 84.263 78.419 73.123 68.295 63.868 59.788 56.010 52.496 49.214 43.241 42.129 41.041 39.977 38.935 37.914 36.914 35.933 34.971 34.026 33.099 32.188 31.293 30.413 29.547 28.695 27.856 27.031 26.218 25.417 24.628 139.199 126.754 116.004 106.650 98.433 91.153 84.650 78.799 73.500 68.673 64.251 60.179 56.412 52.913 49.649 43.723 42.622 41.546 40.494 39.465 38.458 37.472 36.506 35.560 34.632 33.721 32.828 31.951 31.090 30.243 29.412 28.594 27.790 26.998 26.220 25.453 139.711 127.225 116.444 107.065 98.829 91.534 85.019 79.160 73.857 69.029 64.608 60.541 56.782 53.294 50.043 44.150 43.057 41.989 40.946 39.926 38.928 37.952 36.997 36.061 35.144 34.245 33.364 32.499 31.651 30.818 29.999 29.195 28.405 27.628 26.864 26.112 140.211 127.684 116.871 107.467 99.211 91.900 85.374 79.507 74.198 69.366 64.946 60.881 57.127 53.646 50.404 44.535 43.448 42.386 41.349 40.336 39.346 38.377 37.429 36.501 35.592 34.701 33.828 32.973 32.133 31.309 30.500 29.706 28.926 28.159 27.406 26.664 140.700 128.132 117.286 107.857 99.582 92.255 85.717 79.840 74.525 69.689 65.267 61.203 57.452 53.975 50.740 44.889 43.806 42.749 41.716 40.708 39.723 38.759 37.817 36.894 35.991 35.107 34.241 33.391 32.558 31.741 30.940 30.153 29.380 28.620 27.874 27.141 99999.999 128.570 117.692 108.237 99.942 92.600 86.049 80.162 74.840 69.999 65.574 61.509 57.759 54.285 51.055 45.217 44.137 43.083 42.055 41.050 40.068 39.109 38.171 37.253 36.354 35.475 34.613 33.768 32.941 32.129 31.332 30.550 29.783 29.029 28.289 27.561 Ag(HS)2- Ag(HS)2(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 2 1.000 18 2.000 6 -19.590 -17.773 -16.320 -15.138 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.590 -17.773 -16.320 -15.137 -14.169 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.589 -17.773 -16.319 -15.137 -14.168 -13.372 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.379 -17.578 -16.133 -14.954 -13.983 -13.181 -12.518 -11.972 -11.528 -11.174 -10.900 -10.700 -10.572 -10.519 -10.568 -10.548 -10.608 -10.687 -10.791 -10.935 -11.142 -11.442 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.361 -17.561 -16.117 -14.938 -13.967 -13.164 -12.500 -11.953 -11.507 -11.150 -10.871 -10.665 -10.528 -10.460 -10.480 -10.467 -10.518 -10.583 -10.665 -10.770 -10.908 -11.092 -11.336 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.344 -17.545 -16.101 -14.922 -13.951 -13.148 -12.483 -11.934 -11.486 -11.126 -10.844 -10.632 -10.486 -10.405 -10.401 -10.394 -10.437 -10.491 -10.559 -10.644 -10.749 -10.881 -11.048 -11.257 -11.512 99999.999 99999.999 99999.999 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-8.177 -8.175 -8.176 -8.179 -8.183 -19.063 -17.092 -15.575 -14.351 -13.342 -12.499 -11.788 -11.184 -10.668 -10.226 -9.845 -9.518 -9.236 -8.994 -8.786 -8.460 -8.407 -8.358 -8.313 -8.271 -8.232 -8.196 -8.164 -8.134 -8.108 -8.084 -8.063 -8.044 -8.028 -8.014 -8.003 -7.995 -7.988 -7.984 -7.982 -7.982 99999.999 -17.098 -15.564 -14.330 -13.314 -12.465 -11.749 -11.140 -10.619 -10.171 -9.786 -9.452 -9.164 -8.915 -8.700 -8.359 -8.303 -8.250 -8.202 -8.156 -8.114 -8.075 -8.039 -8.006 -7.976 -7.948 -7.924 -7.901 -7.882 -7.864 -7.850 -7.837 -7.827 -7.819 -7.813 -7.810 Ag(HS)2- Ag(HS)2(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 4 2.000 1 1.000 18 -4.000 31 2.000 4 284.607 258.861 236.559 217.090 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 284.607 258.861 236.559 217.090 199.929 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 284.611 258.864 236.562 217.093 199.932 184.663 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 284.619 258.871 236.569 217.099 199.938 184.669 170.962 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 284.631 258.883 236.580 217.110 199.949 184.680 170.972 158.562 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 284.651 258.902 236.598 217.127 199.965 184.696 170.989 158.579 147.248 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 284.680 258.930 236.625 217.153 199.990 184.721 171.014 158.605 147.275 136.839 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 284.723 258.970 236.663 217.190 200.026 184.756 171.049 158.641 147.314 136.882 127.169 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 284.781 259.025 236.715 217.240 200.075 184.804 171.098 158.691 147.368 136.941 127.238 118.085 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 284.859 259.099 236.785 217.307 200.140 184.869 171.163 158.758 147.438 137.019 127.330 118.201 109.426 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 284.961 259.195 236.877 217.395 200.225 184.953 171.247 158.845 147.530 137.119 127.446 118.348 109.634 100.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 285.092 259.319 236.994 217.507 200.334 185.060 171.355 158.955 147.646 137.246 127.593 118.530 109.885 101.398 92.259 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 285.193 259.414 237.084 217.594 200.418 185.143 171.438 159.040 147.735 137.343 127.703 118.665 110.067 101.681 92.931 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 285.337 259.550 237.213 217.717 200.538 185.261 171.556 159.160 147.861 137.479 127.858 118.852 110.313 102.046 93.636 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 285.479 259.684 237.341 217.839 200.656 185.377 171.672 159.279 147.985 137.612 128.007 119.031 110.543 102.374 94.198 74.198 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 285.621 259.818 237.467 217.960 200.773 185.492 171.787 159.396 148.106 137.742 128.152 119.202 110.759 102.672 94.676 78.780 73.966 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 285.762 259.950 237.592 218.080 200.889 185.606 171.900 159.511 148.225 137.869 128.293 119.366 110.962 102.946 95.095 80.154 76.589 72.459 67.416 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 285.901 260.081 237.717 218.199 201.004 185.718 172.012 159.624 148.343 137.994 128.430 119.524 111.155 103.200 95.469 80.977 77.809 74.420 70.674 66.423 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 286.039 260.212 237.840 218.316 201.118 185.829 172.123 159.736 148.458 138.116 128.564 119.676 111.339 103.435 95.805 81.579 78.606 75.529 72.288 68.807 65.015 60.885 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 286.177 260.341 237.962 218.433 201.231 185.940 172.232 159.847 148.572 138.236 128.694 119.823 111.513 103.655 96.109 82.063 79.207 76.302 73.313 70.201 66.923 63.442 59.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 286.313 260.469 238.083 218.549 201.342 186.049 172.340 159.956 148.684 138.354 128.822 119.966 111.680 103.860 96.386 82.473 79.697 76.900 74.061 71.158 68.163 65.051 61.804 58.419 54.920 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 286.449 260.596 238.204 218.663 201.453 186.157 172.448 160.064 148.795 138.470 128.946 120.104 111.839 104.053 96.638 82.830 80.113 77.392 74.654 71.883 69.063 66.175 63.205 60.144 56.995 53.775 50.510 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 286.583 260.723 238.323 218.777 201.563 186.264 172.553 160.170 148.904 138.584 129.068 120.238 111.991 104.234 96.870 83.150 80.477 77.813 75.147 72.469 69.765 67.025 64.236 61.391 58.487 55.527 52.526 49.502 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 286.717 260.848 238.441 218.890 201.671 186.370 172.658 160.276 149.012 138.696 129.187 120.368 112.137 104.406 97.082 83.441 80.804 78.184 75.572 72.962 70.342 67.706 65.043 62.347 59.614 56.844 54.043 51.220 48.392 45.575 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 286.850 260.973 238.559 219.002 201.779 186.475 172.762 160.380 149.118 138.806 129.304 120.494 112.278 104.568 97.279 83.709 81.101 78.516 75.948 73.389 70.833 68.273 65.702 63.114 60.506 57.876 55.224 52.558 49.886 47.220 44.573 99999.999 99999.999 99999.999 99999.999 99999.999 286.982 261.096 238.676 219.113 201.886 186.579 172.865 160.483 149.223 138.914 129.418 120.618 112.415 104.722 97.461 83.958 81.375 78.819 76.285 73.768 71.262 68.761 66.259 63.753 61.238 58.712 56.176 53.631 51.084 48.541 46.013 43.509 41.041 99999.999 99999.999 99999.999 287.113 261.219 238.792 219.224 201.992 186.683 172.967 160.585 149.326 139.021 129.531 120.738 112.546 104.870 97.632 84.191 81.629 79.098 76.593 74.110 71.644 69.189 66.743 64.299 61.856 59.412 56.964 54.515 52.067 49.625 47.196 44.788 42.407 40.064 99999.999 99999.999 287.243 261.341 238.907 219.333 202.098 186.785 173.068 160.686 149.429 139.127 129.641 120.856 112.675 105.012 97.793 84.411 81.866 79.356 76.876 74.422 71.988 69.572 67.170 64.777 62.391 60.010 57.633 55.260 52.892 50.533 48.186 45.858 43.555 41.283 39.048 36.857 287.373 261.463 239.021 219.442 202.202 186.887 173.168 160.786 149.530 139.231 129.750 120.972 112.799 105.149 97.947 84.619 82.091 79.599 77.140 74.709 72.304 69.920 67.553 65.202 62.863 60.534 58.213 55.901 53.599 51.307 49.029 46.769 44.532 42.322 40.146 38.007 288.629 262.637 240.126 220.491 203.208 187.862 174.125 161.736 150.486 140.207 130.761 122.032 113.926 106.364 99.276 86.292 83.858 81.471 79.129 76.830 74.571 72.349 70.163 68.010 65.890 63.800 61.738 59.704 57.697 55.715 53.758 51.826 49.918 48.034 46.174 44.339 289.824 263.751 241.171 221.481 204.154 188.775 175.015 162.614 151.362 141.091 131.662 122.962 114.895 107.384 100.360 87.553 85.163 82.825 80.536 78.293 76.094 73.937 71.821 69.743 67.702 65.696 63.724 61.784 59.875 57.996 56.147 54.325 52.530 50.761 49.018 47.300 290.970 264.816 242.168 222.423 205.053 189.640 175.854 163.436 152.177 141.906 132.485 123.802 115.760 108.281 101.297 88.597 86.235 83.925 81.665 79.454 77.289 75.169 73.091 71.053 69.054 67.092 65.167 63.275 61.417 59.591 57.795 56.028 54.291 52.581 50.897 49.240 292.078 265.841 243.127 223.327 205.913 190.465 176.653 164.216 152.944 142.668 133.250 124.575 116.548 109.090 102.133 89.505 87.159 84.868 82.628 80.438 78.294 76.197 74.142 72.130 70.157 68.223 66.326 64.464 62.637 60.842 59.079 57.346 55.643 53.968 52.321 50.700 293.155 266.835 244.053 224.198 206.740 191.257 177.418 164.960 153.674 143.390 133.969 125.297 117.278 109.834 102.895 90.316 87.982 85.704 83.477 81.301 79.172 77.090 75.052 73.057 71.102 69.186 67.308 65.466 63.659 61.886 60.144 58.434 56.753 55.102 53.478 51.882 294.206 267.801 244.951 225.043 207.541 192.022 178.154 165.674 154.372 144.077 134.651 125.978 117.963 110.526 103.600 91.055 88.730 86.460 84.243 82.077 79.959 77.888 75.862 73.878 71.936 70.033 68.169 66.341 64.548 62.789 61.063 59.368 57.703 56.068 54.461 52.882 295.237 268.746 245.827 225.864 208.318 192.764 178.867 166.364 155.044 144.737 135.302 126.626 118.611 111.178 104.259 91.738 89.419 87.155 84.945 82.786 80.676 78.613 76.595 74.620 72.687 70.794 68.939 67.121 65.339 63.590 61.875 60.192 58.539 56.915 55.320 53.753 99999.999 269.672 246.683 226.665 209.076 193.486 179.560 167.033 155.694 145.373 135.928 127.245 119.229 111.797 104.881 92.376 90.061 87.802 85.597 83.443 81.339 79.281 77.269 75.301 73.374 71.488 69.640 67.830 66.055 64.315 62.607 60.932 59.287 57.673 56.086 54.527 AgNO3,aq AgNO3(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 6 -1.000 1 -1.000 2 -1.000 6 1.000 18 1.000 32 1.000 4 94.150 85.708 78.473 72.215 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.150 85.708 78.473 72.215 66.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.151 85.710 78.474 72.216 66.750 61.929 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.153 85.711 78.476 72.218 66.752 61.930 57.639 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.157 85.715 78.479 72.221 66.754 61.933 57.642 53.790 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.162 85.720 78.483 72.225 66.759 61.937 57.647 53.795 50.308 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.171 85.727 78.490 72.232 66.765 61.944 57.653 53.802 50.315 47.132 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.183 85.738 78.501 72.242 66.775 61.953 57.662 53.811 50.326 47.144 44.208 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.200 85.754 78.515 72.255 66.788 61.966 57.675 53.825 50.340 47.159 44.227 41.488 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.223 85.774 78.533 72.273 66.805 61.983 57.693 53.842 50.359 47.180 44.252 41.519 38.925 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.252 85.800 78.557 72.296 66.827 62.005 57.715 53.865 50.383 47.207 44.283 41.559 38.981 36.466 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.290 85.833 78.588 72.325 66.856 62.033 57.743 53.895 50.415 47.241 44.322 41.608 39.047 36.571 33.994 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.318 85.859 78.612 72.348 66.877 62.055 57.765 53.917 50.438 47.267 44.352 41.645 39.096 36.644 34.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.359 85.895 78.646 72.380 66.908 62.085 57.796 53.949 50.472 47.304 44.394 41.695 39.162 36.740 34.321 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.399 85.931 78.679 72.411 66.939 62.115 57.826 53.980 50.504 47.339 44.434 41.743 39.224 36.827 34.464 29.428 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.439 85.966 78.712 72.442 66.969 62.145 57.856 54.010 50.536 47.374 44.473 41.789 39.282 36.907 34.589 30.305 29.144 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.477 86.001 78.744 72.473 66.998 62.174 57.885 54.040 50.568 47.408 44.511 41.833 39.337 36.981 34.701 30.577 29.655 28.626 27.397 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.516 86.035 78.776 72.503 67.028 62.203 57.914 54.070 50.599 47.441 44.547 41.876 39.389 37.049 34.801 30.751 29.903 29.018 28.066 27.005 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.553 86.069 78.807 72.533 67.056 62.231 57.942 54.099 50.629 47.473 44.583 41.917 39.439 37.113 34.891 30.883 30.072 29.248 28.396 27.500 26.538 25.495 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.590 86.102 78.838 72.562 67.085 62.259 57.970 54.127 50.658 47.505 44.617 41.956 39.486 37.172 34.973 30.994 30.205 29.414 28.612 27.791 26.939 26.045 25.102 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.627 86.135 78.868 72.591 67.113 62.287 57.998 54.155 50.687 47.535 44.651 41.994 39.530 37.227 35.048 31.089 30.317 29.547 28.775 27.995 27.202 26.387 25.546 24.674 23.774 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.663 86.167 78.899 72.620 67.140 62.314 58.025 54.183 50.716 47.566 44.684 42.031 39.573 37.279 35.116 31.175 30.414 29.659 28.907 28.154 27.396 26.629 25.848 25.049 24.233 23.400 22.555 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.699 86.199 78.928 72.648 67.168 62.340 58.051 54.210 50.744 47.595 44.716 42.067 39.614 37.327 35.178 31.252 30.501 29.758 29.020 28.286 27.552 26.815 26.072 25.321 24.560 23.788 23.008 22.223 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.734 86.231 78.958 72.676 67.195 62.367 58.078 54.237 50.772 47.624 44.747 42.101 39.653 37.373 35.235 31.323 30.580 29.846 29.119 28.399 27.682 26.966 26.250 25.531 24.808 24.079 23.346 22.609 21.873 21.139 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.768 86.262 78.987 72.703 67.221 62.393 58.104 54.263 50.799 47.653 44.778 42.134 39.690 37.416 35.287 31.390 30.652 29.926 29.208 28.499 27.795 27.095 26.398 25.702 25.005 24.308 23.608 22.908 22.209 21.513 20.822 99999.999 99999.999 99999.999 99999.999 99999.999 94.802 86.293 79.015 72.731 67.247 62.419 58.130 54.289 50.826 47.681 44.808 42.167 39.726 37.457 35.335 31.452 30.720 30.000 29.290 28.589 27.895 27.208 26.526 25.846 25.170 24.495 23.821 23.148 22.478 21.811 21.149 20.495 19.851 99999.999 99999.999 99999.999 94.836 86.323 79.044 72.757 67.273 62.444 58.155 54.315 50.852 47.709 44.837 42.199 39.761 37.496 35.380 31.511 30.783 30.068 29.365 28.671 27.986 27.309 26.638 25.972 25.310 24.653 23.998 23.347 22.699 22.055 21.417 20.785 20.163 19.551 99999.999 99999.999 94.869 86.354 79.072 72.784 67.299 62.469 58.180 54.340 50.878 47.736 44.866 42.230 39.795 37.534 35.423 31.566 30.843 30.133 29.434 28.747 28.069 27.400 26.738 26.083 25.434 24.790 24.150 23.515 22.885 22.260 21.640 21.028 20.423 19.828 19.244 18.673 94.902 86.383 79.099 72.810 67.324 62.494 58.205 54.365 50.904 47.763 44.894 42.260 39.827 37.570 35.463 31.620 30.900 30.193 29.500 28.817 28.146 27.483 26.829 26.183 25.544 24.911 24.284 23.662 23.046 22.436 21.832 21.235 20.645 20.065 19.494 18.935 95.209 86.662 79.360 73.058 67.563 62.728 58.436 54.598 51.142 48.009 45.152 42.533 40.121 37.887 35.811 32.053 31.355 30.674 30.007 29.355 28.717 28.091 27.477 26.875 26.284 25.704 25.133 24.572 24.021 23.478 22.944 22.419 21.902 21.393 20.892 20.399 95.482 86.913 79.595 73.282 67.779 62.938 58.644 54.806 51.352 48.224 45.376 42.767 40.368 38.150 36.092 32.382 31.696 31.027 30.374 29.736 29.112 28.502 27.906 27.322 26.750 26.190 25.640 25.102 24.573 24.055 23.545 23.045 22.554 22.071 21.596 21.130 95.729 87.142 79.810 73.486 67.976 63.131 58.834 54.995 51.542 48.418 45.574 42.973 40.583 38.376 36.331 32.652 31.974 31.312 30.667 30.038 29.424 28.824 28.237 27.664 27.103 26.554 26.016 25.490 24.974 24.468 23.972 23.486 23.009 22.540 22.080 21.628 95.955 87.352 80.008 73.676 68.159 63.308 59.008 55.168 51.716 48.594 45.754 43.158 40.774 38.575 36.540 32.884 32.210 31.555 30.915 30.292 29.684 29.090 28.510 27.944 27.390 26.849 26.319 25.801 25.293 24.796 24.309 23.831 23.363 22.903 22.453 22.010 96.163 87.546 80.192 73.851 68.328 63.474 59.171 55.329 51.877 48.755 45.918 43.326 40.947 38.755 36.726 33.087 32.418 31.766 31.131 30.512 29.908 29.319 28.744 28.183 27.634 27.098 26.574 26.061 25.560 25.068 24.587 24.116 23.654 23.201 22.757 22.321 96.356 87.728 80.365 74.016 68.487 63.628 59.322 55.479 52.026 48.905 46.070 43.480 41.105 38.917 36.894 33.269 32.603 31.954 31.322 30.707 30.106 29.521 28.950 28.392 27.848 27.315 26.795 26.287 25.789 25.302 24.826 24.359 23.902 23.454 23.014 22.583 96.537 87.899 80.527 74.171 68.637 63.774 59.465 55.620 52.166 49.045 46.211 43.623 41.251 39.067 37.048 33.433 32.770 32.123 31.494 30.881 30.284 29.701 29.133 28.578 28.037 27.508 26.991 26.485 25.991 25.508 25.035 24.571 24.118 23.673 23.237 22.810 99999.999 88.061 80.680 74.318 68.779 63.911 59.600 55.753 52.298 49.177 46.343 43.757 41.387 39.205 37.190 33.584 32.922 32.278 31.651 31.040 30.445 29.864 29.298 28.746 28.207 27.680 27.166 26.663 26.172 25.691 25.220 24.760 24.309 23.867 23.434 23.010 AgNO3,aq AgNO3(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 5 -2.000 1 -1.000 2 1.000 32 2.000 31 1.000 18 -57.949 -52.608 -47.966 -43.898 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -57.949 -52.608 -47.966 -43.898 -40.300 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -57.949 -52.609 -47.967 -43.899 -40.300 -37.089 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -57.950 -52.610 -47.968 -43.900 -40.301 -37.090 -34.202 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -57.952 -52.612 -47.970 -43.901 -40.303 -37.091 -34.203 -31.587 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -57.954 -52.614 -47.972 -43.904 -40.305 -37.094 -34.206 -31.589 -29.202 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -57.981 -52.644 -48.002 -43.932 -40.332 -37.120 -34.231 -31.613 -29.226 -27.033 -25.006 -23.116 -21.328 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -57.995 -52.658 -48.016 -43.946 -40.346 -37.133 -34.243 -31.625 -29.237 -27.045 -25.019 -23.131 -21.349 -19.617 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -58.012 -52.677 -48.035 -43.964 -40.363 -37.149 -34.259 -31.641 -29.253 -27.061 -25.035 -23.149 -21.375 -19.667 -17.874 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -58.026 -52.692 -48.050 -43.979 -40.376 -37.162 -34.271 -31.652 -29.264 -27.073 -25.048 -23.163 -21.392 -19.698 -17.991 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -58.047 -52.714 -48.071 -43.999 -40.396 -37.181 -34.289 -31.670 -29.281 -27.089 -25.065 -23.183 -21.416 -19.735 -18.088 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -58.068 -52.736 -48.092 -44.019 -40.415 -37.199 -34.307 -31.687 -29.298 -27.106 -25.082 -23.201 -21.438 -19.767 -18.150 -13.247 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -58.089 -52.758 -48.114 -44.040 -40.435 -37.218 -34.325 -31.704 -29.315 -27.123 -25.099 -23.219 -21.459 -19.795 -18.197 -14.514 -13.358 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -58.111 -52.781 -48.136 -44.061 -40.455 -37.237 -34.342 -31.721 -29.331 -27.139 -25.116 -23.237 -21.479 -19.820 -18.235 -14.868 -14.057 -13.101 -11.968 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -58.133 -52.803 -48.157 -44.082 -40.474 -37.255 -34.360 -31.738 -29.348 -27.156 -25.133 -23.254 -21.498 -19.843 -18.267 -15.056 -14.357 -13.598 -12.753 -11.810 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -58.156 -52.826 -48.179 -44.102 -40.494 -37.274 -34.378 -31.755 -29.365 -27.172 -25.149 -23.271 -21.517 -19.865 -18.295 -15.180 -14.535 -13.860 -13.143 -12.371 -11.541 -10.668 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -58.179 -52.849 -48.201 -44.123 -40.514 -37.293 -34.396 -31.773 -29.381 -27.188 -25.165 -23.288 -21.535 -19.885 -18.321 -15.272 -14.657 -14.028 -13.377 -12.695 -11.977 -11.222 -10.441 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -58.202 -52.872 -48.224 -44.144 -40.534 -37.312 -34.414 -31.790 -29.398 -27.205 -25.182 -23.305 -21.553 -19.906 -18.345 -15.344 -14.750 -14.149 -13.536 -12.906 -12.255 -11.579 -10.880 -10.164 -9.442 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -58.225 -52.895 -48.246 -44.165 -40.554 -37.331 -34.432 -31.807 -29.414 -27.221 -25.198 -23.321 -21.570 -19.925 -18.368 -15.404 -14.823 -14.241 -13.653 -13.056 -12.447 -11.823 -11.182 -10.526 -9.860 -9.191 -8.525 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -58.249 -52.919 -48.268 -44.187 -40.574 -37.350 -34.450 -31.824 -29.431 -27.237 -25.214 -23.338 -21.587 -19.944 -18.390 -15.454 -14.885 -14.316 -13.745 -13.171 -12.590 -12.000 -11.400 -10.789 -10.168 -9.542 -8.914 -8.291 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -58.273 -52.943 -48.291 -44.208 -40.594 -37.368 -34.468 -31.841 -29.447 -27.253 -25.230 -23.354 -21.604 -19.963 -18.412 -15.499 -14.937 -14.378 -13.820 -13.262 -12.701 -12.135 -11.564 -10.985 -10.400 -9.809 -9.216 -8.623 -8.034 -7.452 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -58.298 -52.967 -48.313 -44.229 -40.614 -37.387 -34.486 -31.858 -29.464 -27.269 -25.245 -23.370 -21.621 -19.981 -18.432 -15.538 -14.982 -14.431 -13.883 -13.337 -12.791 -12.243 -11.692 -11.138 -10.579 -10.017 -9.452 -8.886 -8.322 -7.763 -7.210 99999.999 99999.999 99999.999 99999.999 99999.999 -58.323 -52.991 -48.336 -44.251 -40.634 -37.406 -34.504 -31.876 -29.480 -27.285 -25.261 -23.386 -21.637 -19.999 -18.453 -15.573 -15.023 -14.478 -13.938 -13.400 -12.865 -12.331 -11.796 -11.260 -10.722 -10.182 -9.640 -9.098 -8.556 -8.017 -7.483 -6.955 -6.436 99999.999 99999.999 99999.999 -58.348 -53.015 -48.359 -44.272 -40.654 -37.426 -34.522 -31.893 -29.497 -27.301 -25.277 -23.401 -21.654 -20.016 -18.473 -15.606 -15.059 -14.519 -13.985 -13.455 -12.929 -12.405 -11.883 -11.360 -10.838 -10.316 -9.793 -9.270 -8.747 -8.227 -7.710 -7.198 -6.693 -6.194 99999.999 99999.999 -58.373 -53.039 -48.382 -44.294 -40.675 -37.445 -34.540 -31.910 -29.513 -27.317 -25.293 -23.417 -21.670 -20.034 -18.492 -15.636 -15.093 -14.557 -14.028 -13.504 -12.985 -12.469 -11.956 -11.445 -10.935 -10.427 -9.919 -9.411 -8.905 -8.401 -7.900 -7.403 -6.911 -6.425 -5.946 -5.475 -58.399 -53.064 -48.405 -44.315 -40.695 -37.464 -34.558 -31.927 -29.530 -27.333 -25.308 -23.433 -21.686 -20.051 -18.512 -15.663 -15.123 -14.591 -14.066 -13.547 -13.034 -12.525 -12.019 -11.517 -11.018 -10.520 -10.024 -9.530 -9.038 -8.548 -8.061 -7.577 -7.097 -6.623 -6.154 -5.693 -58.668 -53.316 -48.640 -44.535 -40.900 -37.656 -34.740 -32.099 -29.694 -27.491 -25.462 -23.584 -21.838 -20.208 -18.679 -15.876 -15.351 -14.836 -14.330 -13.834 -13.347 -12.868 -12.397 -11.934 -11.478 -11.028 -10.585 -10.148 -9.717 -9.291 -8.871 -8.456 -8.046 -7.641 -7.241 -6.845 -58.959 -53.581 -48.883 -44.759 -41.109 -37.851 -34.923 -32.272 -29.858 -27.648 -25.613 -23.731 -21.982 -20.352 -18.825 -16.035 -15.514 -15.005 -14.506 -14.017 -13.537 -13.067 -12.606 -12.153 -11.709 -11.272 -10.843 -10.422 -10.007 -9.599 -9.197 -8.802 -8.413 -8.030 -7.652 -7.280 -59.266 -53.855 -49.132 -44.988 -41.321 -38.049 -35.108 -32.447 -30.023 -27.804 -25.763 -23.875 -22.123 -20.489 -18.961 -16.174 -15.655 -15.147 -14.650 -14.163 -13.687 -13.220 -12.763 -12.314 -11.874 -11.443 -11.019 -10.603 -10.194 -9.793 -9.399 -9.011 -8.630 -8.255 -7.886 -7.523 -59.587 -54.137 -49.387 -45.221 -41.536 -38.249 -35.295 -32.622 -30.189 -27.962 -25.912 -24.019 -22.261 -20.623 -19.092 -16.303 -15.784 -15.276 -14.780 -14.294 -13.818 -13.353 -12.897 -12.450 -12.012 -11.582 -11.161 -10.747 -10.341 -9.943 -9.551 -9.167 -8.789 -8.418 -8.053 -7.694 -59.920 -54.426 -49.646 -45.457 -41.753 -38.450 -35.483 -32.799 -30.355 -28.119 -26.062 -24.162 -22.398 -20.756 -19.220 -16.426 -15.907 -15.399 -14.902 -14.416 -13.940 -13.475 -13.019 -12.573 -12.135 -11.706 -11.285 -10.873 -10.468 -10.070 -9.680 -9.297 -8.921 -8.551 -8.188 -7.831 -60.262 -54.720 -49.908 -45.695 -41.972 -38.653 -35.672 -32.976 -30.523 -28.277 -26.213 -24.305 -22.535 -20.888 -19.348 -16.547 -16.026 -15.517 -15.020 -14.533 -14.057 -13.591 -13.135 -12.688 -12.250 -11.821 -11.401 -10.988 -10.583 -10.186 -9.796 -9.414 -9.038 -8.668 -8.306 -7.949 -60.613 -55.020 -50.174 -45.936 -42.193 -38.858 -35.863 -33.155 -30.690 -28.436 -26.363 -24.448 -22.672 -21.019 -19.474 -16.666 -16.144 -15.633 -15.135 -14.647 -14.170 -13.703 -13.247 -12.799 -12.361 -11.931 -11.510 -11.097 -10.692 -10.295 -9.905 -9.522 -9.146 -8.777 -8.414 -8.057 99999.999 -55.324 -50.444 -46.180 -42.416 -39.064 -36.054 -33.334 -30.859 -28.595 -26.514 -24.592 -22.810 -21.150 -19.601 -16.783 -16.260 -15.748 -15.248 -14.760 -14.282 -13.814 -13.356 -12.907 -12.468 -12.038 -11.616 -11.202 -10.797 -10.399 -10.008 -9.625 -9.248 -8.879 -8.516 -8.159 AlO+ AlO(+1) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 3 -2.000 1 1.000 8 1.000 2 11.983 10.342 8.978 7.828 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.983 10.342 8.978 7.828 6.843 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.983 10.342 8.979 7.829 6.844 5.989 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.985 10.344 8.980 7.830 6.845 5.990 5.237 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.986 10.346 8.982 7.832 6.847 5.992 5.239 4.567 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.989 10.349 8.985 7.835 6.850 5.995 5.243 4.571 3.963 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.994 10.354 8.990 7.840 6.855 6.000 5.247 4.576 3.968 3.410 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.000 10.360 8.997 7.846 6.861 6.007 5.254 4.583 3.976 3.419 2.896 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.009 10.370 9.006 7.855 6.871 6.016 5.263 4.592 3.986 3.430 2.908 2.409 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.021 10.382 9.018 7.868 6.883 6.028 5.276 4.605 4.000 3.444 2.925 2.429 1.951 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.036 10.398 9.034 7.883 6.898 6.043 5.292 4.622 4.017 3.463 2.947 2.454 1.980 1.545 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.056 10.419 9.055 7.904 6.918 6.063 5.312 4.643 4.039 3.487 2.974 2.487 2.018 1.573 1.269 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.071 10.434 9.071 7.919 6.934 6.079 5.328 4.659 4.056 3.506 2.995 2.512 2.048 1.603 1.192 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.092 10.457 9.093 7.941 6.955 6.100 5.350 4.682 4.080 3.531 3.024 2.546 2.091 1.651 1.198 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.113 10.479 9.115 7.963 6.977 6.122 5.371 4.704 4.104 3.557 3.052 2.580 2.133 1.702 1.247 4.742 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.133 10.501 9.137 7.984 6.998 6.143 5.393 4.726 4.126 3.581 3.080 2.612 2.173 1.752 1.310 2.408 3.424 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.153 10.522 9.158 8.005 7.018 6.164 5.414 4.747 4.149 3.605 3.106 2.644 2.211 1.801 1.378 1.855 2.222 2.870 3.817 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.173 10.543 9.179 8.026 7.039 6.184 5.434 4.769 4.171 3.629 3.132 2.674 2.247 1.848 1.444 1.612 1.775 2.067 2.526 3.153 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.192 10.564 9.200 8.046 7.059 6.204 5.454 4.789 4.193 3.652 3.157 2.702 2.282 1.891 1.507 1.481 1.552 1.694 1.929 2.274 2.723 3.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.211 10.584 9.220 8.066 7.079 6.224 5.474 4.810 4.214 3.674 3.182 2.730 2.315 1.932 1.565 1.403 1.424 1.489 1.612 1.804 2.072 2.409 2.791 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.230 10.604 9.240 8.086 7.099 6.243 5.494 4.830 4.235 3.696 3.206 2.757 2.346 1.970 1.617 1.356 1.345 1.365 1.424 1.530 1.688 1.901 2.163 2.459 2.768 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.249 10.624 9.260 8.106 7.118 6.263 5.514 4.850 4.255 3.718 3.229 2.782 2.375 2.004 1.663 1.327 1.295 1.287 1.306 1.358 1.448 1.579 1.751 1.960 2.196 2.447 2.699 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.267 10.644 9.280 8.125 7.137 6.282 5.533 4.869 4.276 3.739 3.252 2.807 2.402 2.036 1.703 1.311 1.264 1.236 1.228 1.245 1.290 1.367 1.476 1.617 1.787 1.979 2.186 2.399 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.285 10.664 9.300 8.145 7.156 6.301 5.552 4.889 4.295 3.760 3.274 2.831 2.428 2.065 1.739 1.304 1.246 1.203 1.176 1.169 1.184 1.223 1.287 1.378 1.495 1.635 1.794 1.968 2.150 2.338 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.303 10.683 9.319 8.164 7.175 6.319 5.570 4.908 4.315 3.780 3.295 2.854 2.453 2.091 1.769 1.303 1.236 1.182 1.142 1.118 1.110 1.122 1.155 1.209 1.285 1.383 1.500 1.634 1.781 1.938 2.103 99999.999 99999.999 99999.999 99999.999 99999.999 12.320 10.702 9.338 8.182 7.193 6.337 5.589 4.926 4.334 3.801 3.316 2.876 2.476 2.116 1.795 1.306 1.233 1.171 1.121 1.083 1.060 1.052 1.061 1.087 1.133 1.197 1.279 1.378 1.491 1.617 1.754 1.900 2.055 99999.999 99999.999 99999.999 12.337 10.720 9.357 8.201 7.212 6.355 5.607 4.945 4.353 3.820 3.337 2.897 2.498 2.139 1.819 1.312 1.235 1.166 1.108 1.060 1.024 1.002 0.993 0.999 1.021 1.059 1.112 1.182 1.265 1.363 1.472 1.592 1.722 1.861 99999.999 99999.999 12.354 10.739 9.375 8.219 7.230 6.373 5.625 4.963 4.372 3.840 3.357 2.918 2.520 2.160 1.839 1.322 1.240 1.166 1.101 1.046 1.001 0.967 0.944 0.935 0.938 0.955 0.986 1.031 1.090 1.162 1.246 1.341 1.447 1.562 1.687 1.821 12.371 10.757 9.393 8.237 7.247 6.391 5.642 4.981 4.390 3.859 3.377 2.939 2.541 2.181 1.859 1.333 1.248 1.170 1.100 1.039 0.986 0.943 0.910 0.888 0.877 0.878 0.891 0.916 0.954 1.004 1.065 1.138 1.221 1.315 1.418 1.530 12.527 10.929 9.567 8.408 7.416 6.557 5.808 5.148 4.561 4.035 3.560 3.128 2.735 2.378 2.053 1.493 1.394 1.299 1.209 1.123 1.041 0.963 0.890 0.820 0.754 0.693 0.635 0.582 0.533 0.489 0.449 0.413 0.382 0.356 0.334 0.317 12.664 11.084 9.724 8.564 7.569 6.708 5.958 5.298 4.713 4.191 3.720 3.294 2.907 2.554 2.231 1.669 1.568 1.471 1.377 1.286 1.199 1.115 1.033 0.955 0.879 0.806 0.735 0.667 0.601 0.538 0.476 0.417 0.361 0.306 0.254 0.203 12.788 11.227 9.870 8.708 7.710 6.847 6.095 5.435 4.851 4.331 3.864 3.442 3.059 2.711 2.392 1.835 1.735 1.637 1.544 1.453 1.365 1.280 1.197 1.117 1.039 0.963 0.890 0.819 0.749 0.681 0.615 0.551 0.488 0.426 0.366 0.307 12.900 11.358 10.005 8.842 7.842 6.976 6.223 5.562 4.978 4.458 3.994 3.575 3.197 2.852 2.538 1.987 1.888 1.792 1.699 1.609 1.522 1.438 1.355 1.276 1.198 1.123 1.050 0.978 0.908 0.840 0.774 0.709 0.645 0.582 0.521 0.461 13.004 11.482 10.132 8.968 7.966 7.098 6.342 5.680 5.096 4.577 4.114 3.698 3.322 2.981 2.670 2.127 2.029 1.934 1.843 1.754 1.668 1.584 1.503 1.425 1.348 1.274 1.202 1.131 1.062 0.995 0.929 0.865 0.802 0.740 0.679 0.620 13.100 11.599 10.253 9.088 8.084 7.214 6.456 5.792 5.207 4.688 4.225 3.811 3.437 3.099 2.792 2.255 2.158 2.065 1.974 1.887 1.802 1.720 1.640 1.562 1.487 1.414 1.343 1.274 1.206 1.140 1.075 1.012 0.951 0.890 0.831 0.772 13.191 11.710 10.368 9.202 8.196 7.324 6.564 5.898 5.312 4.792 4.330 3.917 3.545 3.209 2.904 2.373 2.277 2.185 2.096 2.009 1.925 1.844 1.766 1.690 1.616 1.544 1.474 1.405 1.339 1.274 1.211 1.149 1.089 1.029 0.971 0.914 99999.999 11.817 10.478 9.312 8.304 7.429 6.667 6.000 5.412 4.892 4.429 4.016 3.646 3.311 3.008 2.482 2.387 2.296 2.208 2.122 2.040 1.960 1.882 1.807 1.734 1.663 1.594 1.527 1.462 1.398 1.336 1.276 1.216 1.158 1.101 1.046 AlOH+2 AlOH(+2) P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 3 -1.000 1 1.000 8 1.000 2 5.766 5.000 4.313 3.700 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.766 5.000 4.314 3.700 3.150 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.767 5.001 4.314 3.701 3.150 2.651 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.768 5.002 4.315 3.702 3.151 2.652 2.195 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.770 5.004 4.317 3.704 3.153 2.654 2.197 1.774 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.772 5.007 4.320 3.706 3.156 2.657 2.199 1.776 1.381 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.776 5.011 4.324 3.711 3.160 2.660 2.203 1.780 1.385 1.012 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.782 5.017 4.330 3.716 3.165 2.666 2.209 1.786 1.391 1.018 0.661 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.790 5.025 4.338 3.724 3.173 2.674 2.216 1.794 1.399 1.026 0.669 0.323 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.800 5.036 4.349 3.735 3.184 2.684 2.227 1.804 1.409 1.037 0.681 0.336 0.001 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.814 5.050 4.363 3.749 3.197 2.697 2.240 1.817 1.423 1.051 0.696 0.353 0.019 -0.285 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.831 5.069 4.381 3.767 3.214 2.714 2.256 1.834 1.440 1.069 0.715 0.374 0.043 -0.271 -0.483 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.844 5.083 4.395 3.780 3.228 2.727 2.269 1.847 1.453 1.082 0.730 0.391 0.062 -0.254 -0.538 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.862 5.103 4.415 3.800 3.246 2.745 2.287 1.865 1.471 1.101 0.751 0.414 0.089 -0.225 -0.542 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.881 5.122 4.434 3.819 3.265 2.764 2.305 1.883 1.489 1.120 0.771 0.437 0.116 -0.195 -0.516 1.706 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.898 5.142 4.454 3.837 3.283 2.781 2.323 1.900 1.507 1.139 0.790 0.459 0.142 -0.164 -0.480 0.148 0.810 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.916 5.161 4.473 3.856 3.301 2.799 2.340 1.918 1.525 1.157 0.810 0.480 0.167 -0.134 -0.440 -0.219 0.008 0.425 1.055 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.933 5.179 4.491 3.874 3.319 2.816 2.357 1.935 1.542 1.174 0.828 0.501 0.191 -0.105 -0.401 -0.382 -0.290 -0.112 0.180 0.590 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.950 5.198 4.510 3.892 3.336 2.833 2.374 1.951 1.559 1.192 0.846 0.521 0.213 -0.077 -0.363 -0.471 -0.440 -0.362 -0.222 -0.006 0.283 0.620 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.967 5.216 4.528 3.910 3.353 2.850 2.391 1.968 1.575 1.209 0.864 0.540 0.235 -0.051 -0.328 -0.525 -0.528 -0.501 -0.436 -0.324 -0.160 0.054 0.302 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.984 5.234 4.546 3.927 3.370 2.867 2.407 1.984 1.592 1.225 0.882 0.559 0.256 -0.027 -0.297 -0.558 -0.582 -0.586 -0.563 -0.510 -0.421 -0.293 -0.131 0.058 0.259 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.000 5.252 4.563 3.944 3.387 2.883 2.423 2.000 1.608 1.242 0.898 0.577 0.275 -0.005 -0.268 -0.578 -0.617 -0.640 -0.645 -0.627 -0.584 -0.513 -0.413 -0.287 -0.141 0.018 0.181 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.016 5.269 4.581 3.961 3.404 2.899 2.439 2.016 1.624 1.258 0.915 0.594 0.294 0.015 -0.243 -0.591 -0.640 -0.676 -0.699 -0.705 -0.692 -0.658 -0.602 -0.524 -0.425 -0.309 -0.181 -0.047 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.032 5.286 4.598 3.978 3.420 2.915 2.455 2.031 1.639 1.274 0.931 0.611 0.312 0.034 -0.221 -0.597 -0.654 -0.700 -0.736 -0.758 -0.766 -0.758 -0.732 -0.688 -0.626 -0.548 -0.456 -0.352 -0.242 -0.126 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.047 5.303 4.615 3.995 3.436 2.931 2.470 2.047 1.655 1.289 0.947 0.627 0.328 0.052 -0.202 -0.600 -0.662 -0.716 -0.760 -0.795 -0.818 -0.828 -0.824 -0.806 -0.772 -0.723 -0.661 -0.587 -0.502 -0.410 -0.312 99999.999 99999.999 99999.999 99999.999 99999.999 6.063 5.320 4.632 4.011 3.452 2.947 2.485 2.062 1.670 1.304 0.963 0.643 0.345 0.068 -0.185 -0.599 -0.665 -0.725 -0.777 -0.820 -0.854 -0.878 -0.890 -0.890 -0.878 -0.853 -0.815 -0.766 -0.706 -0.637 -0.560 -0.476 -0.386 99999.999 99999.999 99999.999 6.078 5.337 4.649 4.027 3.468 2.962 2.501 2.077 1.685 1.320 0.978 0.658 0.360 0.084 -0.170 -0.595 -0.666 -0.730 -0.787 -0.838 -0.880 -0.914 -0.938 -0.953 -0.957 -0.950 -0.932 -0.903 -0.864 -0.816 -0.759 -0.695 -0.623 -0.546 99999.999 99999.999 6.093 5.353 4.665 4.044 3.484 2.977 2.516 2.092 1.699 1.334 0.993 0.674 0.375 0.098 -0.156 -0.590 -0.663 -0.731 -0.793 -0.849 -0.898 -0.940 -0.974 -0.999 -1.016 -1.023 -1.020 -1.009 -0.987 -0.957 -0.919 -0.872 -0.818 -0.758 -0.691 -0.617 6.107 5.369 4.681 4.059 3.499 2.992 2.530 2.106 1.714 1.349 1.008 0.688 0.390 0.113 -0.143 -0.584 -0.659 -0.730 -0.796 -0.856 -0.910 -0.958 -0.999 -1.033 -1.060 -1.078 -1.088 -1.090 -1.084 -1.069 -1.046 -1.015 -0.978 -0.933 -0.882 -0.824 6.244 5.522 4.835 4.210 3.645 3.134 2.669 2.243 1.850 1.486 1.145 0.827 0.529 0.249 -0.013 -0.484 -0.570 -0.654 -0.735 -0.813 -0.889 -0.962 -1.032 -1.100 -1.165 -1.228 -1.288 -1.344 -1.398 -1.449 -1.497 -1.542 -1.585 -1.623 -1.659 -1.692 6.365 5.660 4.974 4.347 3.778 3.263 2.795 2.367 1.973 1.608 1.268 0.950 0.652 0.373 0.110 -0.369 -0.458 -0.544 -0.629 -0.712 -0.793 -0.871 -0.948 -1.023 -1.097 -1.168 -1.238 -1.307 -1.374 -1.439 -1.502 -1.565 -1.625 -1.684 -1.742 -1.799 6.474 5.787 5.103 4.473 3.901 3.383 2.911 2.480 2.084 1.719 1.379 1.062 0.765 0.485 0.223 -0.258 -0.347 -0.435 -0.521 -0.605 -0.687 -0.767 -0.846 -0.923 -0.999 -1.074 -1.147 -1.218 -1.289 -1.358 -1.426 -1.493 -1.559 -1.624 -1.688 -1.751 6.573 5.904 5.224 4.592 4.017 3.495 3.020 2.586 2.188 1.821 1.481 1.164 0.867 0.588 0.326 -0.154 -0.244 -0.331 -0.417 -0.502 -0.584 -0.665 -0.744 -0.822 -0.899 -0.974 -1.048 -1.120 -1.192 -1.262 -1.331 -1.400 -1.467 -1.534 -1.599 -1.664 6.665 6.014 5.337 4.704 4.125 3.600 3.122 2.686 2.285 1.917 1.575 1.258 0.961 0.683 0.422 -0.057 -0.147 -0.235 -0.321 -0.405 -0.487 -0.568 -0.648 -0.725 -0.802 -0.877 -0.951 -1.024 -1.096 -1.166 -1.236 -1.304 -1.372 -1.439 -1.505 -1.570 6.750 6.119 5.444 4.810 4.229 3.700 3.219 2.780 2.378 2.007 1.665 1.346 1.050 0.772 0.511 0.032 -0.057 -0.145 -0.230 -0.314 -0.397 -0.478 -0.557 -0.634 -0.711 -0.786 -0.860 -0.932 -1.004 -1.074 -1.144 -1.212 -1.279 -1.346 -1.412 -1.477 6.830 6.218 5.547 4.912 4.328 3.796 3.312 2.870 2.465 2.093 1.749 1.430 1.133 0.855 0.594 0.116 0.027 -0.061 -0.146 -0.230 -0.312 -0.393 -0.472 -0.549 -0.625 -0.700 -0.774 -0.846 -0.917 -0.988 -1.057 -1.125 -1.192 -1.258 -1.324 -1.389 99999.999 6.314 5.646 5.009 4.423 3.889 3.401 2.957 2.549 2.175 1.829 1.509 1.211 0.933 0.672 0.195 0.105 0.018 -0.067 -0.151 -0.233 -0.313 -0.392 -0.469 -0.545 -0.620 -0.693 -0.765 -0.836 -0.906 -0.975 -1.043 -1.110 -1.176 -1.241 -1.306 HAlO2,aq HAlO2(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 3.000 Ref: Shock07 3 -3.000 1 1.000 8 2.000 2 18.065 15.602 13.598 11.940 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.065 15.602 13.598 11.940 10.547 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.065 15.602 13.598 11.941 10.548 9.361 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.066 15.603 13.599 11.942 10.549 9.362 8.336 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.067 15.605 13.601 11.943 10.551 9.364 8.338 7.438 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.070 15.607 13.604 11.946 10.553 9.367 8.341 7.441 6.641 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.073 15.611 13.608 11.950 10.558 9.371 8.345 7.446 6.646 5.922 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.078 15.616 13.613 11.956 10.563 9.377 8.352 7.453 6.654 5.931 5.259 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.084 15.624 13.621 11.963 10.571 9.386 8.361 7.463 6.665 5.943 5.274 4.638 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.093 15.634 13.631 11.974 10.582 9.397 8.373 7.476 6.679 5.959 5.294 4.662 4.058 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.104 15.647 13.644 11.987 10.596 9.411 8.388 7.492 6.697 5.980 5.319 4.694 4.095 3.556 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.118 15.663 13.661 12.004 10.613 9.429 8.407 7.513 6.720 6.007 5.351 4.734 4.144 3.589 3.250 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.129 15.675 13.674 12.017 10.627 9.443 8.422 7.529 6.738 6.027 5.375 4.765 4.183 3.627 3.124 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.144 15.692 13.692 12.036 10.645 9.462 8.443 7.551 6.763 6.055 5.408 4.807 4.238 3.690 3.121 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.158 15.709 13.709 12.054 10.664 9.482 8.463 7.573 6.787 6.082 5.440 4.848 4.291 3.758 3.186 8.892 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.172 15.726 13.727 12.071 10.682 9.500 8.482 7.594 6.810 6.108 5.472 4.887 4.342 3.826 3.274 5.241 6.877 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.186 15.742 13.743 12.088 10.699 9.518 8.502 7.615 6.832 6.133 5.502 4.924 4.391 3.891 3.368 4.369 4.992 6.054 7.587 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.199 15.757 13.760 12.105 10.717 9.536 8.520 7.635 6.855 6.158 5.530 4.959 4.437 3.952 3.460 3.982 4.287 4.792 5.559 6.590 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.212 15.773 13.776 12.122 10.733 9.554 8.539 7.655 6.876 6.182 5.558 4.993 4.480 4.010 3.547 3.767 3.930 4.202 4.619 5.207 5.959 6.804 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.225 15.788 13.792 12.138 10.750 9.571 8.557 7.674 6.897 6.206 5.585 5.025 4.520 4.063 3.626 3.637 3.720 3.873 4.115 4.464 4.932 5.509 6.157 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.237 15.802 13.807 12.154 10.766 9.587 8.574 7.693 6.918 6.228 5.611 5.056 4.557 4.111 3.697 3.553 3.587 3.670 3.813 4.027 4.323 4.706 5.165 5.679 6.213 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.249 15.817 13.822 12.169 10.782 9.604 8.591 7.711 6.938 6.250 5.636 5.085 4.592 4.154 3.758 3.499 3.500 3.538 3.618 3.750 3.940 4.194 4.512 4.888 5.307 5.749 6.194 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.260 15.831 13.837 12.184 10.797 9.620 8.608 7.729 6.957 6.272 5.660 5.112 4.624 4.193 3.811 3.464 3.442 3.448 3.487 3.564 3.685 3.853 4.073 4.342 4.657 5.007 5.379 5.763 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.272 15.844 13.852 12.199 10.813 9.635 8.625 7.747 6.976 6.293 5.683 5.138 4.654 4.227 3.856 3.443 3.404 3.388 3.397 3.437 3.509 3.619 3.769 3.960 4.191 4.459 4.756 5.076 5.410 5.753 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.282 15.858 13.866 12.214 10.828 9.651 8.641 7.764 6.995 6.313 5.706 5.163 4.682 4.258 3.893 3.431 3.379 3.346 3.335 3.347 3.385 3.454 3.553 3.687 3.855 4.055 4.286 4.543 4.821 5.116 5.423 99999.999 99999.999 99999.999 99999.999 99999.999 18.293 15.871 13.880 12.228 10.842 9.666 8.657 7.781 7.013 6.333 5.727 5.187 4.707 4.286 3.924 3.426 3.365 3.319 3.291 3.283 3.297 3.334 3.397 3.488 3.607 3.756 3.932 4.134 4.359 4.603 4.865 5.142 5.431 99999.999 99999.999 99999.999 18.303 15.884 13.894 12.242 10.857 9.681 8.672 7.797 7.031 6.352 5.749 5.210 4.732 4.312 3.950 3.427 3.358 3.302 3.262 3.238 3.233 3.247 3.283 3.341 3.424 3.531 3.662 3.818 3.997 4.196 4.414 4.648 4.898 5.162 99999.999 99999.999 18.313 15.897 13.907 12.256 10.871 9.695 8.687 7.814 7.048 6.371 5.769 5.232 4.755 4.335 3.973 3.432 3.356 3.293 3.243 3.207 3.187 3.183 3.198 3.231 3.285 3.360 3.457 3.575 3.714 3.872 4.050 4.246 4.457 4.684 4.926 5.182 18.323 15.909 13.920 12.270 10.885 9.710 8.702 7.829 7.065 6.390 5.789 5.254 4.778 4.358 3.994 3.440 3.359 3.290 3.232 3.186 3.155 3.137 3.135 3.149 3.180 3.230 3.298 3.385 3.492 3.616 3.759 3.919 4.095 4.287 4.494 4.715 18.405 16.019 14.040 12.393 11.011 9.840 8.838 7.972 7.219 6.556 5.969 5.447 4.982 4.568 4.202 3.598 3.497 3.402 3.313 3.230 3.153 3.081 3.016 2.956 2.903 2.855 2.814 2.778 2.749 2.727 2.711 2.701 2.698 2.702 2.713 2.731 18.466 16.110 14.141 12.498 11.119 9.950 8.952 8.093 7.347 6.694 6.118 5.608 5.154 4.750 4.390 3.787 3.683 3.584 3.490 3.401 3.316 3.235 3.158 3.085 3.016 2.951 2.889 2.830 2.775 2.723 2.675 2.629 2.586 2.547 2.510 2.475 18.510 16.185 14.227 12.589 11.213 10.047 9.052 8.197 7.456 6.811 6.244 5.744 5.301 4.906 4.555 3.964 3.861 3.763 3.670 3.581 3.495 3.413 3.335 3.261 3.189 3.120 3.055 2.992 2.931 2.873 2.817 2.763 2.711 2.661 2.612 2.565 18.541 16.248 14.301 12.669 11.295 10.131 9.139 8.287 7.552 6.912 6.353 5.861 5.427 5.041 4.699 4.123 4.022 3.927 3.835 3.748 3.665 3.585 3.508 3.434 3.364 3.296 3.231 3.168 3.108 3.050 2.993 2.939 2.886 2.834 2.784 2.735 18.562 16.302 14.366 12.739 11.368 10.207 9.217 8.368 7.636 7.001 6.448 5.963 5.536 5.159 4.824 4.263 4.166 4.073 3.984 3.899 3.818 3.741 3.666 3.595 3.527 3.461 3.398 3.337 3.279 3.222 3.168 3.115 3.063 3.013 2.965 2.917 18.575 16.347 14.424 12.802 11.434 10.275 9.287 8.440 7.711 7.080 6.532 6.052 5.632 5.262 4.934 4.388 4.293 4.203 4.117 4.035 3.956 3.881 3.809 3.741 3.675 3.611 3.551 3.492 3.436 3.382 3.330 3.279 3.230 3.183 3.136 3.091 18.581 16.387 14.475 12.858 11.493 10.336 9.350 8.506 7.779 7.151 6.607 6.132 5.717 5.353 5.032 4.499 4.407 4.319 4.235 4.156 4.080 4.007 3.938 3.871 3.808 3.747 3.689 3.633 3.579 3.527 3.477 3.429 3.383 3.338 3.294 3.251 99999.999 16.422 14.521 12.909 11.548 10.393 9.408 8.566 7.841 7.216 6.675 6.204 5.794 5.434 5.119 4.597 4.508 4.423 4.341 4.264 4.190 4.120 4.053 3.989 3.927 3.869 3.813 3.759 3.708 3.658 3.611 3.565 3.520 3.478 3.436 3.396 AlO2- AlO2(-1) P-T:All Charge =-1. Radius(Å) = 1.40 Alk. = 4.000 Ref: Shock07 3 -4.000 1 1.000 8 2.000 2 24.989 22.204 19.872 17.897 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.989 22.204 19.872 17.897 16.205 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.989 22.204 19.872 17.897 16.206 14.741 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.990 22.205 19.873 17.898 16.206 14.742 13.463 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.991 22.206 19.875 17.900 16.208 14.744 13.464 12.337 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.992 22.209 19.877 17.902 16.210 14.746 13.466 12.339 11.339 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.995 22.212 19.880 17.905 16.214 14.749 13.470 12.342 11.343 10.451 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.998 22.216 19.885 17.910 16.219 14.754 13.474 12.347 11.347 10.456 9.657 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.002 22.222 19.892 17.917 16.225 14.761 13.481 12.354 11.354 10.462 9.664 8.951 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.008 22.231 19.901 17.926 16.234 14.770 13.490 12.362 11.362 10.471 9.672 8.958 8.343 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.015 22.241 19.912 17.938 16.246 14.781 13.501 12.373 11.373 10.482 9.683 8.967 8.345 7.892 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.024 22.255 19.927 17.953 16.261 14.796 13.515 12.388 11.387 10.495 9.696 8.981 8.352 7.851 7.787 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.031 22.265 19.938 17.964 16.272 14.807 13.526 12.398 11.398 10.506 9.707 8.992 8.360 7.838 7.551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.041 22.279 19.953 17.980 16.287 14.822 13.542 12.414 11.413 10.521 9.723 9.007 8.374 7.835 7.421 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.050 22.293 19.969 17.995 16.303 14.837 13.557 12.429 11.428 10.536 9.738 9.023 8.390 7.843 7.379 13.526 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.058 22.306 19.983 18.010 16.318 14.852 13.571 12.443 11.443 10.550 9.752 9.039 8.406 7.857 7.374 9.384 11.259 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.067 22.319 19.998 18.025 16.332 14.867 13.586 12.457 11.457 10.565 9.767 9.054 8.423 7.873 7.385 8.353 9.078 10.320 12.181 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.074 22.332 20.012 18.039 16.347 14.881 13.600 12.471 11.471 10.578 9.781 9.069 8.439 7.890 7.405 7.859 8.224 8.822 9.738 11.005 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.082 22.344 20.026 18.053 16.361 14.895 13.613 12.485 11.484 10.592 9.795 9.084 8.455 7.907 7.427 7.562 7.761 8.092 8.595 9.311 10.248 11.352 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.089 22.356 20.039 18.067 16.374 14.908 13.627 12.498 11.497 10.605 9.808 9.098 8.469 7.923 7.448 7.362 7.468 7.658 7.956 8.386 8.967 9.697 10.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.096 22.367 20.052 18.081 16.388 14.921 13.640 12.511 11.510 10.618 9.821 9.111 8.483 7.938 7.468 7.218 7.265 7.371 7.551 7.819 8.190 8.672 9.262 9.939 10.669 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.102 22.379 20.065 18.094 16.401 14.934 13.653 12.524 11.523 10.631 9.834 9.123 8.496 7.951 7.484 7.111 7.117 7.167 7.272 7.440 7.682 8.005 8.412 8.900 9.455 10.055 10.679 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.108 22.390 20.077 18.107 16.414 14.947 13.665 12.537 11.535 10.643 9.846 9.135 8.508 7.962 7.497 7.028 7.004 7.016 7.069 7.171 7.327 7.544 7.827 8.176 8.588 9.052 9.555 10.083 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.114 22.400 20.089 18.119 16.426 14.960 13.678 12.549 11.548 10.655 9.858 9.147 8.518 7.971 7.506 6.962 6.916 6.899 6.916 6.970 7.067 7.212 7.407 7.656 7.959 8.311 8.705 9.134 9.586 10.053 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.119 22.410 20.101 18.131 16.439 14.972 13.690 12.561 11.559 10.667 9.869 9.158 8.528 7.979 7.512 6.910 6.846 6.807 6.796 6.816 6.870 6.962 7.095 7.271 7.491 7.755 8.060 8.400 8.770 9.161 9.569 99999.999 99999.999 99999.999 99999.999 99999.999 25.124 22.421 20.113 18.144 16.451 14.984 13.702 12.572 11.571 10.678 9.881 9.169 8.537 7.986 7.515 6.867 6.790 6.734 6.701 6.695 6.716 6.769 6.855 6.977 7.136 7.332 7.564 7.830 8.126 8.448 8.790 9.149 9.520 99999.999 99999.999 99999.999 25.129 22.430 20.124 18.155 16.463 14.995 13.713 12.584 11.583 10.690 9.892 9.179 8.546 7.991 7.516 6.832 6.744 6.674 6.625 6.597 6.594 6.617 6.667 6.748 6.859 7.002 7.177 7.382 7.616 7.876 8.159 8.460 8.777 9.107 99999.999 99999.999 25.134 22.440 20.135 18.167 16.474 15.007 13.725 12.595 11.594 10.701 9.902 9.189 8.554 7.997 7.516 6.804 6.706 6.625 6.562 6.518 6.495 6.494 6.517 6.565 6.639 6.741 6.870 7.026 7.209 7.416 7.645 7.895 8.162 8.443 8.738 9.044 25.138 22.449 20.146 18.178 16.486 15.018 13.736 12.606 11.605 10.712 9.913 9.199 8.562 8.002 7.516 6.780 6.675 6.584 6.510 6.452 6.413 6.394 6.394 6.417 6.462 6.530 6.623 6.739 6.879 7.042 7.226 7.430 7.651 7.888 8.139 8.403 25.167 22.529 20.242 18.280 16.588 15.120 13.837 12.706 11.704 10.811 10.010 9.291 8.645 8.066 7.549 6.692 6.547 6.411 6.284 6.166 6.056 5.954 5.862 5.778 5.702 5.636 5.578 5.528 5.488 5.456 5.433 5.419 5.413 5.415 5.426 5.445 25.177 22.589 20.321 18.365 16.675 15.206 13.922 12.791 11.788 10.894 10.093 9.373 8.723 8.137 7.608 6.706 6.549 6.398 6.255 6.118 5.987 5.863 5.745 5.632 5.526 5.425 5.330 5.240 5.156 5.076 5.002 4.932 4.867 4.806 4.750 4.698 25.170 22.635 20.385 18.436 16.748 15.280 13.995 12.863 11.860 10.966 10.165 9.444 8.793 8.204 7.670 6.749 6.586 6.429 6.278 6.133 5.994 5.860 5.732 5.609 5.490 5.377 5.267 5.162 5.062 4.965 4.872 4.783 4.697 4.614 4.535 4.459 25.152 22.669 20.438 18.497 16.812 15.344 14.059 12.926 11.923 11.029 10.228 9.507 8.855 8.265 7.729 6.799 6.633 6.473 6.318 6.170 6.027 5.888 5.755 5.627 5.503 5.383 5.268 5.156 5.048 4.944 4.843 4.745 4.650 4.559 4.470 4.383 25.123 22.694 20.483 18.549 16.868 15.401 14.115 12.982 11.978 11.084 10.283 9.562 8.911 8.320 7.784 6.849 6.681 6.520 6.364 6.213 6.068 5.928 5.792 5.661 5.534 5.411 5.292 5.177 5.066 4.958 4.853 4.751 4.653 4.557 4.463 4.372 25.087 22.712 20.520 18.595 16.917 15.451 14.166 13.032 12.028 11.133 10.331 9.611 8.960 8.370 7.833 6.896 6.728 6.566 6.409 6.258 6.111 5.970 5.833 5.700 5.572 5.448 5.327 5.210 5.097 4.987 4.880 4.777 4.676 4.578 4.482 4.389 25.043 22.723 20.551 18.635 16.960 15.497 14.211 13.078 12.073 11.177 10.376 9.655 9.004 8.414 7.878 6.941 6.772 6.610 6.452 6.300 6.153 6.011 5.874 5.740 5.611 5.486 5.365 5.247 5.133 5.022 4.914 4.809 4.708 4.608 4.512 4.417 99999.999 22.729 20.577 18.670 17.000 15.537 14.253 13.119 12.113 11.217 10.416 9.695 9.044 8.454 7.918 6.981 6.813 6.650 6.493 6.341 6.193 6.051 5.913 5.779 5.650 5.524 5.403 5.285 5.170 5.058 4.950 4.845 4.742 4.642 4.545 4.451 AsO2- AsO2- P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 2 -1.000 2 1.000 25 -0.075 -0.036 0.079 0.229 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.075 -0.036 0.079 0.229 0.400 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.076 -0.036 0.078 0.229 0.399 0.581 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.076 -0.037 0.077 0.228 0.398 0.580 0.770 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.078 -0.039 0.076 0.226 0.397 0.579 0.769 0.964 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.081 -0.042 0.073 0.224 0.394 0.577 0.766 0.962 1.162 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.085 -0.046 0.069 0.220 0.391 0.573 0.763 0.958 1.158 1.364 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.090 -0.051 0.064 0.215 0.386 0.568 0.758 0.954 1.154 1.359 1.571 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.098 -0.059 0.056 0.208 0.379 0.561 0.752 0.947 1.147 1.352 1.563 1.785 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.108 -0.070 0.046 0.198 0.369 0.552 0.743 0.939 1.138 1.343 1.553 1.774 2.009 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.121 -0.083 0.033 0.185 0.357 0.541 0.731 0.927 1.127 1.331 1.541 1.759 1.992 2.247 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.138 -0.100 0.016 0.169 0.342 0.526 0.717 0.913 1.113 1.316 1.525 1.741 1.969 2.218 2.510 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.151 -0.114 0.003 0.157 0.330 0.514 0.706 0.902 1.102 1.305 1.513 1.728 1.953 2.196 2.482 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.169 -0.133 -0.015 0.139 0.313 0.498 0.690 0.886 1.086 1.289 1.496 1.709 1.930 2.166 2.440 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.187 -0.151 -0.033 0.122 0.296 0.482 0.674 0.871 1.071 1.274 1.480 1.691 1.909 2.139 2.401 2.625 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.205 -0.169 -0.051 0.104 0.280 0.466 0.659 0.856 1.056 1.259 1.464 1.673 1.888 2.112 2.363 2.652 2.715 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.223 -0.188 -0.069 0.088 0.263 0.450 0.644 0.841 1.041 1.244 1.448 1.656 1.868 2.088 2.328 2.649 2.720 2.793 2.893 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.240 -0.205 -0.086 0.071 0.247 0.435 0.629 0.827 1.027 1.229 1.433 1.640 1.849 2.065 2.296 2.636 2.711 2.786 2.864 2.958 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.257 -0.223 -0.103 0.054 0.232 0.420 0.614 0.812 1.013 1.215 1.418 1.624 1.831 2.043 2.267 2.620 2.697 2.774 2.851 2.932 3.023 3.133 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-6.161 -5.937 -5.730 -5.536 -5.356 -5.031 -4.972 -4.914 -4.857 -4.803 -4.749 -4.698 -4.647 -4.599 -4.551 -4.505 -4.461 -4.417 -4.375 -4.335 -4.295 -4.257 -4.220 -4.183 -4.149 -4.115 -9.636 -9.200 -8.749 -8.322 -7.927 -7.564 -7.230 -6.922 -6.638 -6.375 -6.131 -5.903 -5.691 -5.493 -5.308 -4.972 -4.910 -4.850 -4.791 -4.733 -4.677 -4.623 -4.570 -4.518 -4.468 -4.419 -4.371 -4.325 -4.279 -4.235 -4.192 -4.151 -4.110 -4.071 -4.032 -3.995 -9.612 -9.184 -8.735 -8.309 -7.913 -7.548 -7.212 -6.903 -6.616 -6.350 -6.103 -5.872 -5.657 -5.455 -5.265 -4.920 -4.856 -4.793 -4.732 -4.673 -4.615 -4.558 -4.503 -4.449 -4.396 -4.345 -4.295 -4.246 -4.198 -4.152 -4.106 -4.062 -4.019 -3.977 -3.936 -3.896 99999.999 -9.167 -8.722 -8.295 -7.899 -7.533 -7.196 -6.884 -6.595 -6.327 -6.077 -5.843 -5.624 -5.419 -5.226 -4.873 -4.808 -4.743 -4.681 -4.619 -4.560 -4.501 -4.444 -4.388 -4.334 -4.280 -4.228 -4.177 -4.128 -4.079 -4.032 -3.986 -3.940 -3.896 -3.853 -3.811 H3AsO3,aq H3AsO3(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 2 1.000 1 1.000 25 -9.744 -9.251 -8.841 -8.494 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.744 -9.251 -8.841 -8.494 -8.199 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.744 -9.251 -8.841 -8.494 -8.199 -7.947 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.742 -9.249 -8.839 -8.492 -8.196 -7.942 -7.726 -7.542 -7.388 -7.265 -7.172 -7.118 -7.117 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.741 -9.248 -8.838 -8.490 -8.194 -7.941 -7.724 -7.539 -7.384 -7.259 -7.164 -7.105 -7.095 -7.173 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.740 -9.247 -8.836 -8.489 -8.192 -7.938 -7.721 -7.535 -7.379 -7.252 -7.154 -7.091 -7.071 -7.122 -7.368 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.739 -9.246 -8.836 -8.488 -8.191 -7.937 -7.718 -7.532 -7.376 -7.247 -7.147 -7.080 -7.053 -7.089 -7.265 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.738 -9.245 -8.834 -8.486 -8.189 -7.934 -7.715 -7.528 -7.370 -7.240 -7.137 -7.065 -7.030 -7.048 -7.168 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.737 -9.244 -8.833 -8.485 -8.187 -7.932 -7.712 -7.524 -7.365 -7.233 -7.128 -7.052 -7.010 -7.014 -7.098 -8.523 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.736 -9.243 -8.832 -8.483 -8.185 -7.929 -7.709 -7.521 -7.360 -7.226 -7.119 -7.039 -6.991 -6.984 -7.042 -7.584 -8.056 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.735 -9.242 -8.831 -8.482 -8.184 -7.927 -7.706 -7.517 -7.355 -7.220 -7.111 -7.027 -6.974 -6.957 -6.995 -7.323 -7.535 -7.872 -8.384 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.734 -9.241 -8.829 -8.480 -8.182 -7.925 -7.704 -7.513 -7.351 -7.214 -7.103 -7.016 -6.958 -6.933 -6.955 -7.179 -7.308 -7.494 -7.761 -8.128 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.733 -9.240 -8.828 -8.479 -8.180 -7.923 -7.701 -7.510 -7.346 -7.208 -7.095 -7.006 -6.943 -6.911 -6.920 -7.081 -7.171 -7.293 -7.459 -7.681 -7.968 -8.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.732 -9.239 -8.827 -8.478 -8.178 -7.921 -7.698 -7.507 -7.342 -7.203 -7.088 -6.996 -6.929 -6.891 -6.889 -7.007 -7.073 -7.161 -7.276 -7.426 -7.617 -7.853 -8.131 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.731 -9.238 -8.826 -8.476 -8.177 -7.919 -7.696 -7.503 -7.338 -7.198 -7.081 -6.987 -6.917 -6.873 -6.862 -6.948 -6.998 -7.064 -7.150 -7.258 -7.395 -7.562 -7.762 -7.992 -8.247 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.730 -9.237 -8.825 -8.475 -8.175 -7.917 -7.693 -7.500 -7.334 -7.192 -7.074 -6.978 -6.905 -6.856 -6.838 -6.898 -6.937 -6.989 -7.055 -7.137 -7.240 -7.364 -7.513 -7.686 -7.881 -8.094 -8.320 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.729 -9.236 -8.824 -8.474 -8.174 -7.915 -7.691 -7.497 -7.330 -7.187 -7.067 -6.969 -6.894 -6.841 -6.815 -6.856 -6.886 -6.927 -6.979 -7.044 -7.123 -7.219 -7.334 -7.467 -7.619 -7.788 -7.971 -8.162 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.728 -9.235 -8.823 -8.472 -8.172 -7.913 -7.688 -7.494 -7.326 -7.183 -7.061 -6.961 -6.883 -6.827 -6.795 -6.818 -6.842 -6.875 -6.916 -6.968 -7.031 -7.108 -7.198 -7.304 -7.424 -7.560 -7.707 -7.866 -8.031 -8.200 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.727 -9.234 -8.822 -8.471 -8.170 -7.911 -7.686 -7.491 -7.322 -7.178 -7.055 -6.954 -6.873 -6.814 -6.777 -6.785 -6.804 -6.830 -6.863 -6.905 -6.956 -7.018 -7.091 -7.176 -7.274 -7.383 -7.504 -7.635 -7.774 -7.918 -8.066 99999.999 99999.999 99999.999 99999.999 99999.999 -9.726 -9.233 -8.821 -8.470 -8.169 -7.909 -7.684 -7.488 -7.319 -7.173 -7.050 -6.947 -6.864 -6.801 -6.761 -6.756 -6.770 -6.790 -6.817 -6.851 -6.893 -6.944 -7.004 -7.073 -7.153 -7.244 -7.344 -7.453 -7.569 -7.692 -7.819 -7.949 -8.078 99999.999 99999.999 99999.999 -9.725 -9.233 -8.820 -8.469 -8.168 -7.907 -7.681 -7.485 -7.315 -7.169 -7.044 -6.940 -6.855 -6.790 -6.746 -6.729 -6.739 -6.755 -6.776 -6.804 -6.838 -6.880 -6.930 -6.988 -7.055 -7.130 -7.213 -7.305 -7.403 -7.508 -7.618 -7.731 -7.845 -7.960 99999.999 99999.999 -9.725 -9.232 -8.819 -8.468 -8.166 -7.905 -7.679 -7.483 -7.312 -7.165 -7.039 -6.933 -6.846 -6.779 -6.731 -6.704 -6.711 -6.723 -6.740 -6.762 -6.791 -6.825 -6.867 -6.916 -6.971 -7.035 -7.105 -7.183 -7.267 -7.356 -7.451 -7.549 -7.650 -7.751 -7.853 -7.954 -9.724 -9.231 -8.818 -8.467 -8.165 -7.904 -7.677 -7.480 -7.309 -7.160 -7.034 -6.926 -6.838 -6.768 -6.718 -6.681 -6.685 -6.694 -6.707 -6.725 -6.748 -6.777 -6.812 -6.853 -6.900 -6.954 -7.014 -7.080 -7.152 -7.229 -7.311 -7.396 -7.485 -7.575 -7.666 -7.757 -9.717 -9.224 -8.809 -8.456 -8.152 -7.888 -7.658 -7.456 -7.279 -7.124 -6.989 -6.871 -6.770 -6.685 -6.614 -6.517 -6.505 -6.495 -6.487 -6.482 -6.479 -6.479 -6.482 -6.486 -6.494 -6.504 -6.516 -6.532 -6.549 -6.569 -6.591 -6.615 -6.642 -6.670 -6.700 -6.732 -9.712 -9.218 -8.802 -8.447 -8.141 -7.875 -7.642 -7.436 -7.255 -7.095 -6.954 -6.829 -6.720 -6.624 -6.542 -6.413 -6.393 -6.375 -6.358 -6.343 -6.330 -6.319 -6.309 -6.301 -6.295 -6.290 -6.287 -6.286 -6.286 -6.288 -6.291 -6.296 -6.302 -6.309 -6.318 -6.327 -9.709 -9.214 -8.797 -8.440 -8.132 -7.864 -7.628 -7.420 -7.235 -7.071 -6.925 -6.796 -6.680 -6.577 -6.487 -6.338 -6.313 -6.290 -6.268 -6.247 -6.228 -6.211 -6.195 -6.180 -6.166 -6.154 -6.143 -6.134 -6.125 -6.118 -6.112 -6.107 -6.104 -6.101 -6.099 -6.098 -9.707 -9.210 -8.792 -8.434 -8.124 -7.854 -7.616 -7.406 -7.218 -7.051 -6.902 -6.767 -6.647 -6.539 -6.442 -6.279 -6.251 -6.224 -6.199 -6.175 -6.152 -6.130 -6.110 -6.091 -6.073 -6.056 -6.040 -6.026 -6.012 -6.000 -5.988 -5.978 -5.968 -5.960 -5.952 -5.945 -9.706 -9.208 -8.788 -8.429 -8.118 -7.846 -7.606 -7.393 -7.204 -7.034 -6.881 -6.743 -6.619 -6.507 -6.406 -6.232 -6.201 -6.172 -6.144 -6.117 -6.091 -6.067 -6.044 -6.021 -6.000 -5.980 -5.961 -5.943 -5.926 -5.910 -5.895 -5.881 -5.867 -5.855 -5.843 -5.832 -9.706 -9.206 -8.785 -8.424 -8.112 -7.838 -7.597 -7.383 -7.191 -7.019 -6.863 -6.723 -6.595 -6.480 -6.375 -6.192 -6.160 -6.128 -6.098 -6.069 -6.042 -6.015 -5.990 -5.965 -5.942 -5.919 -5.898 -5.877 -5.858 -5.839 -5.821 -5.804 -5.788 -5.773 -5.758 -5.744 -9.706 -9.204 -8.782 -8.421 -8.107 -7.832 -7.589 -7.373 -7.179 -7.005 -6.848 -6.705 -6.575 -6.456 -6.348 -6.158 -6.124 -6.091 -6.060 -6.029 -6.000 -5.972 -5.944 -5.918 -5.893 -5.868 -5.845 -5.823 -5.801 -5.780 -5.761 -5.742 -5.723 -5.706 -5.690 -5.674 99999.999 -9.203 -8.780 -8.418 -8.103 -7.826 -7.582 -7.364 -7.169 -6.993 -6.834 -6.689 -6.556 -6.435 -6.324 -6.129 -6.094 -6.060 -6.027 -5.995 -5.964 -5.934 -5.906 -5.878 -5.851 -5.825 -5.801 -5.777 -5.754 -5.731 -5.710 -5.689 -5.670 -5.651 -5.633 -5.615 H3AsO4,aq H3AsO4 P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 1.250 1 1.000 25 0.250 4 -0.250 6 2.236 1.749 1.351 1.019 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.236 1.749 1.351 1.019 0.738 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.236 1.749 1.351 1.019 0.738 0.494 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.236 1.749 1.351 1.019 0.738 0.494 0.277 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.236 1.749 1.351 1.019 0.738 0.494 0.277 0.077 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.236 1.749 1.351 1.019 0.738 0.495 0.278 0.078 -0.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.237 1.749 1.351 1.019 0.739 0.495 0.279 0.080 -0.111 -0.301 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.237 1.749 1.351 1.020 0.739 0.496 0.280 0.081 -0.108 -0.298 -0.500 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.237 1.749 1.351 1.020 0.740 0.497 0.281 0.084 -0.104 -0.292 -0.492 -0.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.238 1.749 1.351 1.020 0.740 0.498 0.283 0.087 -0.100 -0.286 -0.482 -0.707 -0.992 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.238 1.749 1.351 1.021 0.741 0.500 0.286 0.091 -0.094 -0.277 -0.469 -0.686 -0.956 -1.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.239 1.749 1.351 1.021 0.742 0.502 0.289 0.096 -0.087 -0.267 -0.453 -0.661 -0.913 -1.262 -1.928 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.239 1.749 1.351 1.021 0.743 0.503 0.292 0.099 -0.081 -0.259 -0.442 -0.643 -0.884 -1.205 -1.747 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.240 1.749 1.351 1.022 0.744 0.505 0.295 0.104 -0.074 -0.248 -0.426 -0.619 -0.845 -1.135 -1.579 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.241 1.749 1.351 1.022 0.745 0.507 0.298 0.109 -0.067 -0.238 -0.411 -0.597 -0.810 -1.076 -1.457 -4.314 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.241 1.749 1.351 1.022 0.746 0.509 0.301 0.114 -0.060 -0.228 -0.398 -0.577 -0.779 -1.024 -1.359 -2.697 -3.583 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.242 1.749 1.350 1.022 0.747 0.511 0.304 0.118 -0.054 -0.219 -0.385 -0.558 -0.750 -0.978 -1.278 -2.245 -2.684 -3.335 -4.286 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.242 1.748 1.350 1.022 0.748 0.513 0.307 0.122 -0.048 -0.211 -0.372 -0.540 -0.724 -0.937 -1.209 -1.996 -2.293 -2.684 -3.211 -3.911 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.242 1.748 1.350 1.023 0.748 0.514 0.310 0.126 -0.042 -0.202 -0.361 -0.523 -0.699 -0.900 -1.149 -1.827 -2.054 -2.335 -2.689 -3.138 -3.696 -4.361 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.243 1.747 1.349 1.023 0.749 0.515 0.312 0.130 -0.037 -0.194 -0.349 -0.508 -0.677 -0.867 -1.096 -1.699 -1.885 -2.107 -2.373 -2.697 -3.089 -3.557 -4.097 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.243 1.747 1.349 1.022 0.749 0.517 0.314 0.134 -0.031 -0.187 -0.339 -0.493 -0.656 -0.836 -1.049 -1.596 -1.756 -1.940 -2.154 -2.407 -2.705 -3.054 -3.458 -3.912 -4.406 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.243 1.746 1.348 1.022 0.750 0.518 0.317 0.137 -0.026 -0.180 -0.329 -0.479 -0.636 -0.808 -1.007 -1.511 -1.651 -1.809 -1.990 -2.197 -2.436 -2.712 -3.027 -3.382 -3.774 -4.195 -4.635 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.243 1.746 1.348 1.022 0.750 0.519 0.319 0.141 -0.021 -0.173 -0.320 -0.466 -0.618 -0.783 -0.970 -1.438 -1.563 -1.702 -1.858 -2.035 -2.235 -2.462 -2.718 -3.004 -3.321 -3.665 -4.031 -4.411 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.243 1.745 1.347 1.022 0.751 0.520 0.321 0.144 -0.017 -0.166 -0.311 -0.454 -0.601 -0.759 -0.936 -1.374 -1.487 -1.612 -1.750 -1.904 -2.076 -2.268 -2.483 -2.721 -2.984 -3.270 -3.576 -3.898 -4.231 -4.568 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.243 1.744 1.347 1.022 0.751 0.521 0.323 0.147 -0.012 -0.160 -0.302 -0.442 -0.586 -0.738 -0.905 -1.318 -1.421 -1.535 -1.659 -1.795 -1.946 -2.113 -2.297 -2.501 -2.723 -2.965 -3.224 -3.499 -3.786 -4.081 -4.379 99999.999 99999.999 99999.999 99999.999 99999.999 2.243 1.744 1.346 1.021 0.751 0.522 0.324 0.150 -0.008 -0.154 -0.294 -0.431 -0.571 -0.718 -0.878 -1.267 -1.363 -1.466 -1.579 -1.702 -1.837 -1.984 -2.146 -2.322 -2.515 -2.723 -2.946 -3.183 -3.432 -3.690 -3.953 -4.218 -4.483 99999.999 99999.999 99999.999 2.243 1.743 1.345 1.021 0.751 0.523 0.326 0.153 -0.004 -0.148 -0.286 -0.421 -0.557 -0.699 -0.852 -1.221 -1.310 -1.406 -1.509 -1.621 -1.743 -1.875 -2.019 -2.175 -2.343 -2.525 -2.720 -2.927 -3.145 -3.371 -3.604 -3.841 -4.079 -4.316 99999.999 99999.999 2.243 1.742 1.344 1.020 0.751 0.524 0.328 0.155 0.000 -0.143 -0.278 -0.410 -0.543 -0.681 -0.829 -1.179 -1.262 -1.351 -1.447 -1.550 -1.661 -1.780 -1.910 -2.049 -2.199 -2.361 -2.533 -2.716 -2.908 -3.108 -3.315 -3.527 -3.742 -3.957 -4.170 -4.380 2.243 1.741 1.344 1.020 0.751 0.524 0.329 0.158 0.004 -0.137 -0.271 -0.401 -0.531 -0.665 -0.807 -1.141 -1.219 -1.302 -1.391 -1.486 -1.588 -1.697 -1.815 -1.941 -2.076 -2.221 -2.375 -2.537 -2.709 -2.888 -3.073 -3.263 -3.457 -3.652 -3.847 -4.040 2.238 1.731 1.333 1.013 0.749 0.528 0.340 0.178 0.035 -0.094 -0.212 -0.323 -0.429 -0.535 -0.641 -0.867 -0.916 -0.967 -1.019 -1.073 -1.129 -1.188 -1.249 -1.312 -1.378 -1.446 -1.517 -1.591 -1.668 -1.747 -1.828 -1.912 -1.999 -2.087 -2.177 -2.268 2.229 1.717 1.320 1.002 0.743 0.527 0.345 0.190 0.055 -0.064 -0.170 -0.267 -0.358 -0.445 -0.530 -0.700 -0.735 -0.770 -0.806 -0.843 -0.881 -0.920 -0.959 -1.000 -1.041 -1.084 -1.128 -1.173 -1.219 -1.266 -1.314 -1.364 -1.414 -1.466 -1.518 -1.571 2.217 1.700 1.304 0.989 0.733 0.522 0.345 0.196 0.068 -0.042 -0.140 -0.227 -0.306 -0.380 -0.450 -0.583 -0.609 -0.636 -0.662 -0.689 -0.716 -0.744 -0.772 -0.800 -0.829 -0.858 -0.888 -0.918 -0.949 -0.980 -1.012 -1.045 -1.078 -1.112 -1.146 -1.181 2.202 1.681 1.286 0.973 0.721 0.513 0.342 0.198 0.076 -0.028 -0.118 -0.197 -0.267 -0.331 -0.389 -0.496 -0.516 -0.536 -0.556 -0.576 -0.597 -0.617 -0.637 -0.657 -0.678 -0.699 -0.720 -0.741 -0.763 -0.785 -0.807 -0.829 -0.852 -0.875 -0.899 -0.923 2.186 1.660 1.265 0.955 0.706 0.503 0.335 0.196 0.079 -0.019 -0.103 -0.175 -0.237 -0.292 -0.342 -0.428 -0.444 -0.459 -0.475 -0.490 -0.505 -0.520 -0.535 -0.550 -0.564 -0.579 -0.594 -0.609 -0.625 -0.640 -0.656 -0.671 -0.687 -0.703 -0.720 -0.736 2.168 1.638 1.244 0.936 0.690 0.490 0.326 0.191 0.079 -0.014 -0.092 -0.158 -0.215 -0.263 -0.305 -0.374 -0.387 -0.399 -0.410 -0.422 -0.433 -0.443 -0.454 -0.465 -0.475 -0.486 -0.496 -0.507 -0.517 -0.528 -0.539 -0.550 -0.560 -0.572 -0.583 -0.594 2.149 1.615 1.221 0.915 0.672 0.475 0.315 0.184 0.076 -0.013 -0.086 -0.147 -0.198 -0.240 -0.275 -0.331 -0.341 -0.350 -0.358 -0.366 -0.374 -0.382 -0.389 -0.397 -0.404 -0.411 -0.418 -0.425 -0.432 -0.439 -0.446 -0.453 -0.460 -0.467 -0.475 -0.482 99999.999 1.591 1.197 0.892 0.652 0.459 0.303 0.175 0.071 -0.014 -0.083 -0.139 -0.185 -0.222 -0.252 -0.297 -0.303 -0.310 -0.316 -0.322 -0.327 -0.332 -0.337 -0.341 -0.345 -0.350 -0.354 -0.358 -0.362 -0.366 -0.370 -0.374 -0.378 -0.383 -0.387 -0.392 H3AsO4,aq H3AsO4 P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 3 1.000 1 1.000 25 0.500 31 -35.789 -32.830 -30.259 -28.009 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -35.789 -32.830 -30.259 -28.009 -26.024 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -35.789 -32.830 -30.260 -28.010 -26.025 -24.260 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -35.790 -32.831 -30.260 -28.010 -26.025 -24.261 -22.683 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -35.791 -32.832 -30.261 -28.011 -26.026 -24.262 -22.684 -21.267 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -35.793 -32.834 -30.263 -28.013 -26.028 -24.263 -22.685 -21.268 -19.990 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -35.796 -32.837 -30.266 -28.016 -26.030 -24.265 -22.687 -21.269 -19.991 -18.837 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -35.800 -32.841 -30.270 -28.019 -26.033 -24.268 -22.689 -21.271 -19.992 -18.838 -17.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -35.806 -32.847 -30.275 -28.024 -26.038 -24.272 -22.693 -21.274 -19.994 -18.838 -17.798 -16.872 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -35.813 -32.855 -30.283 -28.031 -26.044 -24.277 -22.697 -21.277 -19.996 -18.839 -17.797 -16.866 -16.056 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -35.824 -32.865 -30.292 -28.040 -26.052 -24.285 -22.703 -21.282 -19.999 -18.840 -17.795 -16.859 -16.038 -15.371 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -35.837 -32.878 -30.305 -28.051 -26.062 -24.294 -22.711 -21.288 -20.004 -18.842 -17.793 -16.851 -16.019 -15.321 -14.895 99999.999 99999.999 99999.999 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Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 4 0.250 1 -0.250 6 1.000 25 0.250 4 4.414 4.014 3.728 3.520 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.414 4.014 3.728 3.520 3.371 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.414 4.014 3.728 3.520 3.371 3.266 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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3.265 3.165 3.100 3.061 3.044 3.044 3.057 3.081 3.115 3.155 3.201 3.295 3.314 3.332 3.349 3.364 3.379 3.392 3.405 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.290 3.885 3.601 3.399 3.255 3.156 3.091 3.053 3.036 3.036 3.050 3.075 3.108 3.149 3.195 3.292 3.312 3.331 3.350 3.368 3.385 3.402 3.417 3.433 3.449 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.281 3.874 3.591 3.389 3.246 3.147 3.083 3.045 3.028 3.029 3.043 3.068 3.102 3.143 3.189 3.289 3.309 3.330 3.350 3.370 3.389 3.407 3.425 3.442 3.460 3.477 3.496 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.271 3.864 3.581 3.379 3.237 3.138 3.074 3.037 3.021 3.021 3.036 3.061 3.095 3.136 3.183 3.285 3.306 3.327 3.348 3.369 3.390 3.410 3.429 3.448 3.467 3.486 3.505 3.525 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.261 3.853 3.570 3.369 3.227 3.130 3.066 3.029 3.013 3.014 3.029 3.054 3.089 3.130 3.177 3.281 3.302 3.324 3.346 3.367 3.389 3.410 3.431 3.452 3.472 3.492 3.512 3.532 3.553 3.574 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.251 3.843 3.560 3.360 3.218 3.121 3.058 3.021 3.005 3.007 3.022 3.048 3.083 3.124 3.171 3.276 3.298 3.321 3.343 3.365 3.387 3.409 3.431 3.453 3.474 3.496 3.517 3.538 3.559 3.581 3.603 99999.999 99999.999 99999.999 99999.999 99999.999 4.241 3.833 3.550 3.350 3.209 3.112 3.049 3.013 2.998 3.000 3.015 3.041 3.076 3.118 3.166 3.272 3.294 3.317 3.340 3.362 3.385 3.408 3.431 3.453 3.475 3.498 3.520 3.542 3.564 3.586 3.608 3.631 3.654 99999.999 99999.999 99999.999 4.231 3.822 3.540 3.340 3.200 3.103 3.041 3.005 2.990 2.992 3.008 3.035 3.070 3.112 3.160 3.267 3.290 3.313 3.336 3.359 3.382 3.406 3.429 3.452 3.475 3.498 3.521 3.544 3.567 3.589 3.612 3.635 3.659 3.682 99999.999 99999.999 4.222 3.812 3.530 3.331 3.190 3.095 3.033 2.997 2.983 2.985 3.001 3.028 3.064 3.106 3.154 3.263 3.285 3.309 3.332 3.356 3.379 3.403 3.427 3.451 3.474 3.498 3.521 3.545 3.568 3.592 3.615 3.639 3.663 3.687 3.711 3.735 4.212 3.802 3.520 3.321 3.181 3.086 3.024 2.989 2.975 2.978 2.994 3.021 3.057 3.100 3.149 3.258 3.281 3.304 3.328 3.352 3.376 3.400 3.424 3.448 3.473 3.497 3.521 3.545 3.569 3.593 3.617 3.641 3.665 3.690 3.714 3.739 4.118 3.702 3.422 3.227 3.092 3.000 2.943 2.912 2.901 2.907 2.927 2.957 2.996 3.041 3.093 3.208 3.232 3.257 3.283 3.309 3.334 3.361 3.387 3.414 3.441 3.468 3.495 3.522 3.549 3.576 3.604 3.631 3.659 3.686 3.714 3.741 4.027 3.606 3.327 3.136 3.004 2.917 2.864 2.837 2.830 2.839 2.861 2.894 2.935 2.983 3.037 3.157 3.183 3.209 3.235 3.262 3.289 3.316 3.344 3.371 3.399 3.428 3.456 3.484 3.513 3.542 3.570 3.599 3.628 3.657 3.686 3.715 3.938 3.511 3.234 3.046 2.919 2.836 2.787 2.763 2.759 2.772 2.797 2.832 2.876 2.927 2.983 3.107 3.133 3.160 3.187 3.215 3.243 3.271 3.299 3.328 3.356 3.385 3.414 3.444 3.473 3.503 3.532 3.562 3.592 3.621 3.651 3.681 3.852 3.419 3.143 2.959 2.836 2.757 2.711 2.691 2.690 2.706 2.734 2.772 2.818 2.871 2.929 3.057 3.084 3.112 3.140 3.168 3.196 3.225 3.254 3.284 3.313 3.343 3.372 3.402 3.432 3.463 3.493 3.523 3.554 3.584 3.614 3.645 3.767 3.328 3.054 2.873 2.753 2.678 2.636 2.619 2.622 2.641 2.672 2.712 2.761 2.816 2.876 3.008 3.036 3.064 3.093 3.122 3.151 3.180 3.210 3.240 3.270 3.300 3.330 3.361 3.392 3.422 3.453 3.484 3.515 3.546 3.577 3.608 3.684 3.239 2.966 2.788 2.672 2.601 2.562 2.549 2.555 2.577 2.610 2.654 2.704 2.762 2.824 2.960 2.988 3.017 3.046 3.076 3.105 3.136 3.166 3.196 3.227 3.258 3.289 3.320 3.351 3.382 3.413 3.445 3.476 3.508 3.539 3.571 3.602 3.151 2.879 2.704 2.592 2.524 2.490 2.480 2.489 2.513 2.550 2.595 2.649 2.708 2.772 2.911 2.941 2.970 3.000 3.030 3.061 3.091 3.122 3.153 3.184 3.216 3.247 3.279 3.310 3.342 3.374 3.406 3.438 3.470 3.502 3.534 99999.999 3.063 2.792 2.621 2.512 2.449 2.418 2.411 2.423 2.451 2.490 2.538 2.593 2.655 2.721 2.864 2.894 2.924 2.954 2.985 3.016 3.047 3.079 3.110 3.142 3.174 3.206 3.238 3.270 3.302 3.335 3.367 3.399 3.432 3.464 3.497 H2AsO4- H2AsO4(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 2 0.500 31 1.000 25 -33.610 -30.565 -27.882 -25.508 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -33.610 -30.565 -27.882 -25.508 -23.391 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -33.611 -30.566 -27.883 -25.509 -23.391 -21.488 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -33.655 -30.609 -27.924 -25.549 -23.430 -21.525 -19.800 -18.225 -16.779 -15.440 -14.190 -13.013 -11.888 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -33.673 -30.627 -27.942 -25.565 -23.446 -21.540 -19.815 -18.240 -16.793 -15.455 -14.206 -13.032 -11.911 -10.814 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -33.696 -30.650 -27.964 -25.586 -23.466 -21.560 -19.834 -18.259 -16.812 -15.474 -14.227 -13.055 -11.940 -10.858 -9.730 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -33.714 -30.668 -27.981 -25.602 -23.481 -21.575 -19.848 -18.273 -16.827 -15.489 -14.243 -13.072 -11.961 -10.888 -9.797 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -33.740 -30.693 -28.005 -25.626 -23.504 -21.597 -19.869 -18.294 -16.847 -15.510 -14.265 -13.097 -11.990 -10.927 -9.868 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -33.765 -30.718 -28.029 -25.649 -23.526 -21.618 -19.890 -18.314 -16.867 -15.530 -14.286 -13.120 -12.018 -10.962 -9.924 -7.436 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -33.791 -30.743 -28.053 -25.672 -23.548 -21.639 -19.911 -18.335 -16.888 -15.551 -14.307 -13.143 -12.044 -10.996 -9.972 -7.922 -7.348 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -33.816 -30.768 -28.077 -25.695 -23.570 -21.660 -19.931 -18.355 -16.907 -15.571 -14.328 -13.166 -12.070 -11.026 -10.015 -8.067 -7.625 -7.125 -6.537 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -33.842 -30.793 -28.101 -25.718 -23.592 -21.681 -19.952 -18.374 -16.927 -15.591 -14.349 -13.188 -12.094 -11.056 -10.054 -8.155 -7.754 -7.331 -6.873 -6.367 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -33.867 -30.818 -28.125 -25.740 -23.613 -21.702 -19.972 -18.394 -16.947 -15.610 -14.369 -13.209 -12.118 -11.083 -10.090 -8.219 -7.838 -7.447 -7.041 -6.612 -6.154 -5.666 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -33.892 -30.843 -28.149 -25.763 -23.635 -21.723 -19.992 -18.414 -16.966 -15.630 -14.389 -13.230 -12.140 -11.109 -10.123 -8.272 -7.902 -7.529 -7.149 -6.757 -6.350 -5.925 -5.481 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -33.917 -30.867 -28.172 -25.785 -23.656 -21.743 -20.012 -18.433 -16.985 -15.649 -14.408 -13.250 -12.163 -11.134 -10.154 -8.316 -7.955 -7.593 -7.227 -6.857 -6.479 -6.090 -5.689 -5.277 -4.855 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -33.942 -30.892 -28.195 -25.807 -23.678 -21.764 -20.031 -18.452 -17.004 -15.668 -14.428 -13.270 -12.184 -11.158 -10.182 -8.356 -8.000 -7.645 -7.290 -6.933 -6.572 -6.206 -5.832 -5.452 -5.064 -4.670 -4.274 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -33.966 -30.916 -28.219 -25.830 -23.699 -21.784 -20.051 -18.472 -17.023 -15.687 -14.447 -13.290 -12.205 -11.181 -10.209 -8.392 -8.040 -7.691 -7.343 -6.995 -6.646 -6.294 -5.939 -5.579 -5.215 -4.847 -4.475 -4.104 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -33.991 -30.940 -28.242 -25.852 -23.720 -21.804 -20.071 -18.491 -17.042 -15.705 -14.465 -13.309 -12.225 -11.204 -10.234 -8.425 -8.077 -7.732 -7.389 -7.048 -6.707 -6.365 -6.022 -5.678 -5.330 -4.980 -4.628 -4.276 -3.924 -3.574 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -34.016 -30.964 -28.265 -25.874 -23.741 -21.824 -20.090 -18.509 -17.060 -15.724 -14.484 -13.328 -12.245 -11.225 -10.258 -8.456 -8.110 -7.769 -7.430 -7.094 -6.759 -6.425 -6.091 -5.757 -5.422 -5.086 -4.748 -4.411 -4.074 -3.738 -3.405 99999.999 99999.999 99999.999 99999.999 99999.999 -34.040 -30.988 -28.288 -25.895 -23.762 -21.844 -20.109 -18.528 -17.079 -15.742 -14.502 -13.347 -12.265 -11.246 -10.281 -8.485 -8.141 -7.803 -7.467 -7.135 -6.805 -6.477 -6.150 -5.824 -5.498 -5.172 -4.846 -4.520 -4.195 -3.871 -3.550 -3.232 -2.918 99999.999 99999.999 99999.999 -34.064 -31.012 -28.311 -25.917 -23.782 -21.864 -20.128 -18.547 -17.097 -15.760 -14.520 -13.365 -12.284 -11.266 -10.303 -8.512 -8.171 -7.834 -7.502 -7.172 -6.846 -6.523 -6.201 -5.881 -5.562 -5.244 -4.927 -4.610 -4.295 -3.981 -3.669 -3.360 -3.055 -2.754 99999.999 99999.999 -34.089 -31.036 -28.333 -25.939 -23.803 -21.884 -20.147 -18.565 -17.115 -15.778 -14.538 -13.384 -12.303 -11.286 -10.324 -8.538 -8.198 -7.864 -7.533 -7.207 -6.884 -6.564 -6.247 -5.931 -5.618 -5.306 -4.996 -4.687 -4.379 -4.074 -3.770 -3.469 -3.171 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-6.667 -6.388 -6.114 -5.844 -5.580 -5.319 -5.063 -4.811 -4.562 -4.318 -4.077 -3.840 -3.607 -35.034 -31.953 -29.205 -26.765 -24.588 -22.633 -20.865 -19.257 -17.786 -16.433 -15.183 -14.022 -12.941 -11.929 -10.979 -9.239 -8.914 -8.596 -8.284 -7.979 -7.679 -7.386 -7.098 -6.815 -6.538 -6.265 -5.998 -5.735 -5.476 -5.222 -4.972 -4.726 -4.484 -4.246 -4.012 -3.781 -35.254 -32.165 -29.406 -26.954 -24.767 -22.803 -21.027 -19.412 -17.936 -16.578 -15.323 -14.160 -13.075 -12.062 -11.110 -9.370 -9.045 -8.727 -8.416 -8.110 -7.811 -7.518 -7.231 -6.949 -6.673 -6.401 -6.135 -5.873 -5.615 -5.362 -5.114 -4.869 -4.629 -4.392 -4.159 -3.930 -35.471 -32.373 -29.602 -27.140 -24.943 -22.969 -21.186 -19.565 -18.082 -16.719 -15.460 -14.293 -13.206 -12.190 -11.237 -9.494 -9.169 -8.851 -8.539 -8.234 -7.935 -7.642 -7.355 -7.074 -6.798 -6.526 -6.260 -5.999 -5.742 -5.490 -5.242 -4.998 -4.759 -4.523 -4.291 -4.062 -35.686 -32.579 -29.797 -27.323 -25.116 -23.134 -21.342 -19.714 -18.225 -16.857 -15.594 -14.423 -13.332 -12.313 -11.358 -9.613 -9.288 -8.969 -8.657 -8.352 -8.053 -7.760 -7.473 -7.191 -6.915 -6.644 -6.378 -6.117 -5.860 -5.608 -5.361 -5.117 -4.878 -4.643 -4.411 -4.183 99999.999 -32.783 -29.988 -27.504 -25.286 -23.295 -21.496 -19.861 -18.366 -16.992 -15.725 -14.549 -13.456 -12.434 -11.477 -9.728 -9.402 -9.083 -8.770 -8.465 -8.165 -7.872 -7.585 -7.303 -7.027 -6.756 -6.489 -6.228 -5.972 -5.720 -5.472 -5.229 -4.990 -4.755 -4.523 -4.295 HAsO4-2 HAsO4(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 -0.750 1 -0.250 6 1.000 25 0.250 4 11.269 10.773 10.474 10.304 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.269 10.773 10.474 10.304 10.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.268 10.772 10.473 10.304 10.229 10.229 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.267 10.770 10.471 10.302 10.228 10.227 10.287 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.264 10.768 10.469 10.300 10.225 10.225 10.284 10.396 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.260 10.764 10.465 10.296 10.221 10.221 10.280 10.392 10.549 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.254 10.757 10.459 10.290 10.216 10.215 10.274 10.385 10.543 10.746 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.245 10.749 10.450 10.281 10.207 10.207 10.266 10.376 10.533 10.735 10.988 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.233 10.736 10.438 10.270 10.196 10.195 10.254 10.364 10.520 10.720 10.970 11.281 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.216 10.720 10.422 10.254 10.181 10.180 10.239 10.348 10.502 10.701 10.947 11.252 11.635 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.195 10.699 10.402 10.234 10.161 10.160 10.218 10.327 10.480 10.676 10.918 11.215 11.584 12.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.168 10.672 10.375 10.208 10.135 10.134 10.192 10.300 10.451 10.644 10.881 11.169 11.522 11.971 12.630 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.147 10.651 10.355 10.188 10.116 10.115 10.172 10.279 10.429 10.620 10.853 11.134 11.476 11.904 12.517 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.117 10.621 10.326 10.160 10.088 10.087 10.144 10.249 10.398 10.586 10.814 11.087 11.413 11.815 12.371 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.088 10.592 10.297 10.132 10.060 10.059 10.116 10.221 10.367 10.552 10.776 11.041 11.354 11.733 12.242 13.032 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.058 10.562 10.268 10.104 10.032 10.032 10.088 10.192 10.337 10.520 10.739 10.997 11.299 11.657 12.124 12.740 13.022 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.029 10.533 10.240 10.076 10.005 10.005 10.061 10.164 10.307 10.488 10.704 10.955 11.246 11.587 12.018 12.622 12.826 13.084 13.475 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.001 10.504 10.212 10.049 9.978 9.978 10.034 10.136 10.278 10.457 10.669 10.914 11.196 11.521 11.921 12.526 12.707 12.911 13.156 13.478 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.972 10.476 10.184 10.021 9.951 9.951 10.007 10.108 10.250 10.426 10.635 10.875 11.148 11.460 11.833 12.442 12.611 12.793 12.995 13.230 13.517 13.877 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.944 10.447 10.156 9.994 9.925 9.925 9.980 10.081 10.221 10.396 10.602 10.838 11.103 11.403 11.753 12.367 12.526 12.696 12.878 13.078 13.304 13.568 13.879 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.916 10.419 10.129 9.968 9.899 9.899 9.954 10.055 10.194 10.366 10.570 10.801 11.060 11.350 11.681 12.298 12.450 12.610 12.780 12.962 13.159 13.378 13.624 13.902 14.217 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.888 10.391 10.101 9.941 9.872 9.873 9.928 10.028 10.166 10.337 10.538 10.766 11.020 11.300 11.615 12.233 12.380 12.533 12.694 12.864 13.045 13.239 13.450 13.682 13.937 14.216 14.517 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.860 10.363 10.074 9.915 9.847 9.847 9.902 10.002 10.139 10.309 10.507 10.732 10.981 11.254 11.555 12.173 12.315 12.462 12.616 12.777 12.947 13.126 13.316 13.521 13.740 13.977 14.229 14.497 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.833 10.336 10.047 9.888 9.821 9.822 9.877 9.976 10.112 10.280 10.477 10.699 10.943 11.210 11.501 12.115 12.253 12.396 12.544 12.699 12.860 13.028 13.205 13.392 13.589 13.799 14.020 14.252 14.494 14.742 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.806 10.308 10.020 9.862 9.795 9.797 9.852 9.950 10.086 10.253 10.447 10.666 10.907 11.169 11.452 12.061 12.195 12.334 12.478 12.626 12.781 12.941 13.108 13.283 13.465 13.656 13.856 14.064 14.280 14.501 14.726 99999.999 99999.999 99999.999 99999.999 99999.999 10.779 10.281 9.994 9.836 9.770 9.772 9.827 9.925 10.060 10.225 10.418 10.635 10.873 11.130 11.407 12.009 12.140 12.276 12.415 12.559 12.708 12.862 13.021 13.186 13.358 13.537 13.721 13.913 14.110 14.311 14.516 14.723 14.928 99999.999 99999.999 99999.999 10.752 10.254 9.967 9.811 9.745 9.747 9.802 9.900 10.034 10.198 10.390 10.604 10.840 11.093 11.365 11.959 12.088 12.220 12.356 12.496 12.640 12.788 12.942 13.100 13.263 13.432 13.606 13.785 13.968 14.156 14.345 14.537 14.728 14.917 99999.999 99999.999 10.726 10.227 9.941 9.785 9.720 9.722 9.777 9.875 10.008 10.172 10.362 10.575 10.807 11.058 11.326 11.911 12.037 12.167 12.299 12.436 12.576 12.720 12.868 13.020 13.177 13.338 13.504 13.673 13.847 14.023 14.201 14.381 14.561 14.740 14.915 15.087 10.699 10.201 9.915 9.760 9.695 9.698 9.753 9.850 9.983 10.146 10.334 10.545 10.776 11.024 11.288 11.865 11.989 12.116 12.246 12.379 12.515 12.655 12.799 12.947 13.098 13.253 13.412 13.574 13.739 13.907 14.077 14.247 14.418 14.588 14.756 14.921 10.445 9.942 9.662 9.514 9.455 9.462 9.519 9.615 9.744 9.899 10.077 10.275 10.489 10.717 10.958 11.472 11.580 11.690 11.802 11.915 12.030 12.147 12.266 12.386 12.508 12.632 12.757 12.884 13.012 13.142 13.272 13.404 13.536 13.669 13.802 13.935 10.206 9.697 9.422 9.281 9.228 9.240 9.300 9.397 9.523 9.675 9.846 10.035 10.238 10.454 10.680 11.157 11.256 11.357 11.459 11.561 11.665 11.771 11.877 11.984 12.093 12.202 12.313 12.425 12.537 12.651 12.766 12.881 12.997 13.114 13.231 13.349 9.978 9.463 9.192 9.058 9.012 9.028 9.092 9.190 9.317 9.467 9.635 9.818 10.014 10.220 10.436 10.888 10.982 11.076 11.171 11.267 11.364 11.462 11.561 11.660 11.760 11.861 11.963 12.065 12.169 12.273 12.377 12.483 12.589 12.695 12.803 12.910 9.760 9.237 8.971 8.843 8.803 8.825 8.893 8.994 9.122 9.271 9.437 9.617 9.808 10.008 10.216 10.651 10.740 10.830 10.921 11.012 11.104 11.197 11.290 11.384 11.478 11.573 11.669 11.765 11.862 11.960 12.057 12.156 12.255 12.354 12.454 12.555 9.549 9.019 8.756 8.634 8.601 8.629 8.701 8.806 8.936 9.086 9.251 9.428 9.616 9.812 10.015 10.436 10.522 10.609 10.696 10.784 10.873 10.962 11.051 11.141 11.231 11.322 11.414 11.505 11.597 11.690 11.783 11.877 11.971 12.065 12.160 12.255 9.345 8.806 8.548 8.432 8.405 8.439 8.516 8.624 8.757 8.908 9.073 9.250 9.435 9.628 9.827 10.239 10.323 10.407 10.492 10.577 10.663 10.749 10.836 10.923 11.010 11.098 11.186 11.274 11.363 11.452 11.542 11.631 11.721 11.812 11.903 11.994 9.145 8.598 8.344 8.234 8.214 8.253 8.335 8.448 8.584 8.737 8.903 9.080 9.264 9.455 9.652 10.056 10.138 10.221 10.304 10.387 10.471 10.555 10.639 10.724 10.809 10.894 10.980 11.065 11.152 11.238 11.325 11.412 11.499 11.587 11.674 11.763 99999.999 8.394 8.144 8.041 8.027 8.073 8.160 8.277 8.416 8.571 8.739 8.916 9.101 9.291 9.485 9.884 9.965 10.046 10.128 10.210 10.292 10.374 10.457 10.540 10.623 10.707 10.790 10.874 10.958 11.043 11.127 11.212 11.297 11.383 11.468 11.554 HAsO4-2 HAsO4(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 3 -1.000 1 0.500 31 1.000 25 -26.756 -23.807 -21.136 -18.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.756 -23.807 -21.136 -18.724 -16.532 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.757 -23.808 -21.137 -18.725 -16.533 -14.526 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.759 -23.810 -21.140 -18.727 -16.535 -14.528 -12.673 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.763 -23.814 -21.143 -18.731 -16.539 -14.531 -12.677 -10.948 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.769 -23.820 -21.149 -18.737 -16.545 -14.537 -12.683 -10.954 -9.328 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.779 -23.829 -21.158 -18.745 -16.553 -14.545 -12.691 -10.963 -9.337 -7.790 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.792 -23.842 -21.171 -18.757 -16.565 -14.557 -12.703 -10.976 -9.351 -7.805 -6.311 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.810 -23.860 -21.188 -18.774 -16.582 -14.574 -12.720 -10.993 -9.369 -7.825 -6.335 -4.867 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.835 -23.884 -21.211 -18.797 -16.604 -14.596 -12.742 -11.016 -9.394 -7.852 -6.367 -4.907 -3.429 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.867 -23.915 -21.242 -18.826 -16.632 -14.624 -12.771 -11.046 -9.425 -7.887 -6.407 -4.958 -3.499 -1.957 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.907 -23.956 -21.280 -18.864 -16.669 -14.661 -12.808 -11.084 -9.466 -7.931 -6.458 -5.020 -3.584 -2.089 -0.337 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.939 -23.987 -21.310 -18.893 -16.698 -14.689 -12.837 -11.113 -9.497 -7.965 -6.497 -5.068 -3.646 -2.181 -0.518 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.984 -24.031 -21.353 -18.935 -16.738 -14.730 -12.877 -11.155 -9.540 -8.012 -6.551 -5.133 -3.731 -2.303 -0.731 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -27.029 -24.075 -21.396 -18.976 -16.779 -14.769 -12.917 -11.196 -9.583 -8.059 -6.603 -5.195 -3.811 -2.415 -0.912 2.364 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -27.073 -24.119 -21.438 -19.017 -16.819 -14.809 -12.957 -11.237 -9.626 -8.104 -6.654 -5.255 -3.887 -2.518 -1.072 1.535 2.397 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -27.118 -24.162 -21.480 -19.057 -16.858 -14.848 -12.996 -11.277 -9.667 -8.149 -6.703 -5.313 -3.958 -2.613 -1.216 1.260 1.898 2.652 3.634 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -27.162 -24.205 -21.522 -19.097 -16.897 -14.887 -13.035 -11.316 -9.708 -8.192 -6.751 -5.368 -4.026 -2.702 -1.346 1.074 1.642 2.257 2.951 3.774 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -27.205 -24.248 -21.563 -19.137 -16.936 -14.925 -13.073 -11.355 -9.749 -8.235 -6.798 -5.422 -4.090 -2.785 -1.463 0.926 1.459 2.016 2.611 3.262 3.997 4.836 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -27.248 -24.290 -21.604 -19.177 -16.975 -14.963 -13.111 -11.394 -9.789 -8.277 -6.844 -5.474 -4.152 -2.862 -1.570 0.801 1.311 1.835 2.381 2.957 3.576 4.251 4.993 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -27.291 -24.333 -21.644 -19.216 -17.013 -15.001 -13.149 -11.432 -9.828 -8.319 -6.889 -5.524 -4.210 -2.934 -1.668 0.689 1.183 1.687 2.203 2.737 3.295 3.886 4.517 5.193 5.913 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -27.334 -24.374 -21.685 -19.255 -17.051 -15.038 -13.186 -11.469 -9.867 -8.359 -6.932 -5.572 -4.266 -3.001 -1.756 0.589 1.071 1.558 2.054 2.561 3.084 3.626 4.193 4.788 5.413 6.068 6.747 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -27.376 -24.416 -21.725 -19.294 -17.089 -15.075 -13.223 -11.507 -9.905 -8.399 -6.975 -5.619 -4.320 -3.064 -1.837 0.496 0.968 1.444 1.925 2.413 2.911 3.422 3.948 4.493 5.058 5.644 6.249 6.868 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -27.419 -24.458 -21.765 -19.333 -17.126 -15.112 -13.259 -11.544 -9.943 -8.439 -7.017 -5.665 -4.371 -3.124 -1.910 0.410 0.874 1.340 1.810 2.284 2.764 3.253 3.752 4.263 4.787 5.326 5.879 6.444 7.017 7.594 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -27.461 -24.499 -21.805 -19.371 -17.164 -15.148 -13.296 -11.580 -9.980 -8.478 -7.058 -5.710 -4.420 -3.180 -1.978 0.329 0.787 1.245 1.705 2.167 2.634 3.106 3.585 4.073 4.569 5.075 5.591 6.116 6.647 7.182 7.718 99999.999 99999.999 99999.999 99999.999 99999.999 -27.502 -24.540 -21.844 -19.409 -17.200 -15.185 -13.332 -11.616 -10.017 -8.516 -7.099 -5.753 -4.468 -3.234 -2.040 0.253 0.705 1.156 1.608 2.062 2.517 2.977 3.441 3.910 4.385 4.867 5.356 5.851 6.351 6.854 7.358 7.860 8.356 99999.999 99999.999 99999.999 -27.544 -24.580 -21.883 -19.447 -17.237 -15.221 -13.367 -11.652 -10.054 -8.554 -7.139 -5.796 -4.514 -3.285 -2.098 0.180 0.627 1.073 1.518 1.964 2.411 2.860 3.312 3.767 4.226 4.690 5.158 5.631 6.107 6.585 7.064 7.541 8.014 8.481 99999.999 99999.999 -27.585 -24.621 -21.922 -19.484 -17.274 -15.256 -13.403 -11.688 -10.090 -8.591 -7.178 -5.837 -4.559 -3.334 -2.153 0.111 0.554 0.994 1.434 1.873 2.312 2.753 3.195 3.638 4.085 4.534 4.987 5.442 5.899 6.358 6.816 7.273 7.727 8.176 8.618 9.050 -27.626 -24.661 -21.961 -19.522 -17.310 -15.292 -13.438 -11.723 -10.125 -8.628 -7.216 -5.878 -4.603 -3.381 -2.205 0.045 0.483 0.920 1.354 1.788 2.221 2.653 3.087 3.522 3.958 4.395 4.835 5.276 5.718 6.161 6.604 7.045 7.483 7.917 8.344 8.764 -28.024 -25.052 -22.338 -19.884 -17.660 -15.634 -13.775 -12.059 -10.465 -8.976 -7.576 -6.255 -5.001 -3.807 -2.665 -0.510 -0.096 0.313 0.717 1.118 1.514 1.907 2.297 2.684 3.068 3.449 3.828 4.204 4.578 4.949 5.319 5.685 6.049 6.410 6.769 7.123 -28.405 -25.426 -22.697 -20.229 -17.994 -15.957 -14.092 -12.373 -10.779 -9.293 -7.901 -6.589 -5.349 -4.172 -3.050 -0.947 -0.546 -0.151 0.239 0.623 1.003 1.378 1.749 2.115 2.478 2.837 3.192 3.544 3.892 4.238 4.580 4.919 5.255 5.589 5.919 6.247 -28.771 -25.786 -23.043 -20.561 -18.313 -16.267 -14.394 -12.670 -11.074 -9.589 -8.200 -6.894 -5.663 -4.496 -3.387 -1.318 -0.925 -0.539 -0.158 0.217 0.587 0.951 1.311 1.666 2.016 2.362 2.704 3.042 3.377 3.707 4.035 4.358 4.679 4.997 5.311 5.622 -29.125 -26.135 -23.378 -20.881 -18.621 -16.564 -14.683 -12.953 -11.354 -9.868 -8.480 -7.178 -5.951 -4.792 -3.692 -1.646 -1.259 -0.878 -0.503 -0.134 0.228 0.586 0.938 1.285 1.628 1.966 2.299 2.628 2.954 3.275 3.593 3.906 4.217 4.524 4.828 5.129 -29.471 -26.474 -23.703 -21.193 -18.919 -16.852 -14.962 -13.226 -11.622 -10.133 -8.744 -7.444 -6.220 -5.066 -3.972 -1.943 -1.559 -1.182 -0.812 -0.448 -0.089 0.263 0.610 0.952 1.289 1.621 1.949 2.272 2.591 2.905 3.216 3.523 3.827 4.127 4.424 4.717 -29.810 -26.806 -24.021 -21.496 -19.210 -17.132 -15.233 -13.489 -11.880 -10.388 -8.997 -7.696 -6.475 -5.323 -4.233 -2.215 -1.834 -1.461 -1.093 -0.732 -0.378 -0.029 0.315 0.653 0.986 1.314 1.637 1.956 2.270 2.580 2.886 3.188 3.487 3.781 4.073 4.361 -30.143 -27.132 -24.332 -21.792 -19.494 -17.404 -15.497 -13.745 -12.130 -10.633 -9.240 -7.938 -6.717 -5.566 -4.479 -2.469 -2.090 -1.719 -1.354 -0.995 -0.643 -0.296 0.044 0.380 0.709 1.034 1.354 1.670 1.981 2.287 2.590 2.888 3.183 3.474 3.762 4.046 99999.999 -27.452 -24.637 -22.083 -19.772 -17.671 -15.754 -13.995 -12.373 -10.872 -9.475 -8.171 -6.948 -5.798 -4.713 -2.708 -2.331 -1.960 -1.597 -1.240 -0.890 -0.545 -0.206 0.127 0.454 0.777 1.095 1.408 1.716 2.020 2.320 2.616 2.908 3.196 3.481 3.762 AsO4-3 AsO4-3 P-T:All Charge =-3. Radius(Å) = 5.00 Alk. = 0.000 Ref: Shock07 4 -1.750 1 -0.250 6 1.000 25 0.250 4 23.223 22.369 21.867 21.596 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.223 22.369 21.867 21.596 21.492 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.222 22.367 21.866 21.594 21.490 21.517 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.219 22.364 21.863 21.592 21.487 21.514 21.648 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.214 22.360 21.858 21.587 21.483 21.509 21.644 21.871 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.206 22.352 21.851 21.580 21.476 21.502 21.636 21.863 22.176 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.195 22.340 21.840 21.569 21.465 21.491 21.625 21.851 22.163 22.561 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.178 22.324 21.824 21.553 21.449 21.475 21.609 21.834 22.145 22.540 23.032 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.155 22.301 21.802 21.532 21.428 21.454 21.586 21.811 22.120 22.512 22.998 23.601 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.124 22.271 21.772 21.503 21.400 21.425 21.557 21.780 22.086 22.474 22.953 23.543 24.283 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.085 22.232 21.734 21.465 21.362 21.388 21.519 21.740 22.043 22.425 22.896 23.471 24.183 25.100 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.034 22.182 21.685 21.418 21.315 21.340 21.470 21.689 21.988 22.364 22.823 23.380 24.061 24.924 26.147 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.994 22.143 21.647 21.381 21.278 21.303 21.432 21.649 21.945 22.317 22.769 23.312 23.971 24.795 25.957 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.938 22.087 21.593 21.328 21.226 21.251 21.379 21.593 21.886 22.252 22.693 23.218 23.847 24.620 25.688 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.883 22.032 21.540 21.276 21.175 21.199 21.326 21.539 21.827 22.187 22.619 23.129 23.730 24.458 25.438 25.817 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.828 21.978 21.487 21.224 21.124 21.148 21.274 21.484 21.770 22.125 22.548 23.043 23.620 24.307 25.207 25.923 26.143 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.773 21.924 21.434 21.173 21.073 21.098 21.222 21.431 21.714 22.063 22.478 22.960 23.516 24.167 24.995 25.852 26.107 26.384 26.813 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.719 21.871 21.382 21.122 21.023 21.048 21.172 21.379 21.658 22.003 22.411 22.881 23.417 24.036 24.801 25.740 26.008 26.282 26.586 26.982 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.666 21.817 21.331 21.071 20.974 20.998 21.122 21.327 21.604 21.944 22.345 22.804 23.324 23.914 24.625 25.621 25.889 26.164 26.451 26.768 27.149 27.645 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.613 21.765 21.280 21.021 20.924 20.949 21.072 21.276 21.550 21.887 22.281 22.731 23.235 23.801 24.465 25.503 25.767 26.039 26.319 26.615 26.937 27.307 27.750 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.560 21.713 21.229 20.972 20.876 20.901 21.023 21.225 21.497 21.830 22.219 22.660 23.151 23.696 24.320 25.389 25.648 25.915 26.189 26.474 26.774 27.097 27.456 27.865 28.333 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.508 21.661 21.178 20.923 20.827 20.853 20.974 21.175 21.445 21.774 22.158 22.591 23.071 23.598 24.189 25.278 25.533 25.794 26.062 26.339 26.626 26.928 27.249 27.598 27.980 28.402 28.861 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.456 21.610 21.128 20.874 20.780 20.805 20.926 21.126 21.393 21.720 22.099 22.525 22.995 23.507 24.071 25.172 25.422 25.677 25.940 26.209 26.488 26.776 27.077 27.395 27.733 28.094 28.480 28.890 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.405 21.559 21.079 20.826 20.732 20.758 20.879 21.078 21.343 21.666 22.041 22.461 22.922 23.422 23.964 25.070 25.315 25.565 25.822 26.085 26.356 26.635 26.923 27.222 27.534 27.861 28.204 28.563 28.936 29.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.354 21.508 21.030 20.778 20.685 20.711 20.832 21.029 21.293 21.613 21.984 22.399 22.852 23.342 23.868 24.972 25.212 25.458 25.709 25.966 26.230 26.501 26.780 27.066 27.362 27.668 27.984 28.311 28.648 28.991 29.338 99999.999 99999.999 99999.999 99999.999 99999.999 22.304 21.458 20.981 20.730 20.638 20.665 20.785 20.982 21.243 21.561 21.928 22.338 22.786 23.267 23.780 24.877 25.113 25.354 25.600 25.852 26.110 26.374 26.645 26.922 27.206 27.498 27.797 28.103 28.415 28.732 29.052 29.371 29.685 99999.999 99999.999 99999.999 22.254 21.408 20.932 20.683 20.592 20.619 20.739 20.935 21.195 21.510 21.874 22.279 22.721 23.196 23.699 24.785 25.017 25.254 25.496 25.743 25.995 26.253 26.517 26.786 27.061 27.342 27.629 27.921 28.217 28.516 28.817 29.117 29.413 29.703 99999.999 99999.999 22.205 21.359 20.884 20.636 20.546 20.574 20.693 20.888 21.147 21.460 21.820 22.222 22.659 23.127 23.624 24.697 24.925 25.157 25.395 25.637 25.884 26.137 26.395 26.657 26.925 27.198 27.475 27.756 28.041 28.328 28.615 28.901 29.185 29.463 29.733 29.992 22.155 21.309 20.836 20.589 20.500 20.528 20.648 20.842 21.099 21.410 21.767 22.165 22.598 23.062 23.552 24.611 24.835 25.064 25.297 25.535 25.778 26.026 26.278 26.535 26.796 27.062 27.331 27.604 27.880 28.157 28.435 28.711 28.985 29.255 29.518 29.772 21.683 20.835 20.373 20.140 20.060 20.094 20.215 20.404 20.650 20.944 21.278 21.648 22.047 22.471 22.916 23.864 24.062 24.263 24.467 24.674 24.884 25.096 25.312 25.530 25.751 25.974 26.200 26.428 26.658 26.890 27.123 27.357 27.591 27.826 28.060 28.293 21.240 20.387 19.936 19.715 19.646 19.688 19.812 20.000 20.240 20.524 20.843 21.193 21.569 21.966 22.382 23.258 23.440 23.624 23.809 23.997 24.187 24.379 24.573 24.769 24.967 25.166 25.368 25.571 25.776 25.983 26.191 26.400 26.611 26.823 27.036 27.250 20.820 19.960 19.519 19.310 19.252 19.302 19.431 19.621 19.860 20.137 20.446 20.783 21.143 21.521 21.915 22.740 22.910 23.082 23.256 23.431 23.607 23.785 23.964 24.145 24.327 24.511 24.696 24.883 25.071 25.260 25.451 25.643 25.836 26.031 26.226 26.423 20.419 19.551 19.119 18.921 18.875 18.933 19.069 19.262 19.501 19.775 20.079 20.407 20.754 21.118 21.496 22.284 22.445 22.608 22.773 22.938 23.105 23.273 23.442 23.612 23.783 23.955 24.129 24.303 24.479 24.656 24.834 25.013 25.193 25.374 25.556 25.739 20.033 19.156 18.732 18.546 18.511 18.579 18.722 18.920 19.160 19.434 19.734 20.056 20.395 20.749 21.114 21.873 22.028 22.185 22.342 22.500 22.660 22.820 22.981 23.143 23.306 23.470 23.634 23.800 23.966 24.134 24.302 24.471 24.641 24.812 24.984 25.157 19.659 18.772 18.357 18.183 18.159 18.236 18.387 18.590 18.834 19.109 19.408 19.726 20.059 20.405 20.761 21.498 21.648 21.799 21.951 22.104 22.258 22.412 22.567 22.723 22.879 23.037 23.195 23.353 23.513 23.673 23.834 23.995 24.158 24.321 24.485 24.649 19.295 18.398 17.992 17.830 17.816 17.904 18.062 18.272 18.520 18.797 19.096 19.412 19.742 20.083 20.432 21.151 21.298 21.445 21.593 21.741 21.890 22.040 22.190 22.341 22.493 22.645 22.797 22.951 23.104 23.259 23.414 23.570 23.726 23.883 24.041 24.200 99999.999 18.032 17.635 17.485 17.483 17.580 17.747 17.964 18.217 18.497 18.797 19.113 19.440 19.777 20.122 20.828 20.971 21.115 21.260 21.405 21.550 21.696 21.843 21.990 22.137 22.286 22.434 22.583 22.733 22.883 23.033 23.185 23.336 23.489 23.642 23.796 AsO4-3 AsO4-3 P-T:All Charge =-3. Radius(Å) = 5.00 Alk. = 0.000 Ref: Shock07 3 -2.000 1 0.500 31 1.000 25 -14.801 -12.210 -9.742 -7.433 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -14.801 -12.210 -9.742 -7.433 -5.271 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -14.803 -12.212 -9.744 -7.434 -5.272 -3.238 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -14.807 -12.216 -9.748 -7.438 -5.276 -3.241 -1.312 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -14.813 -12.222 -9.754 -7.443 -5.281 -3.247 -1.318 0.527 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -14.823 -12.232 -9.763 -7.453 -5.290 -3.256 -1.327 0.517 2.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -14.838 -12.246 -9.777 -7.466 -5.304 -3.269 -1.341 0.503 2.283 4.025 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -14.859 -12.267 -9.797 -7.486 -5.323 -3.289 -1.361 0.482 2.261 4.000 5.732 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -14.888 -12.295 -9.824 -7.513 -5.349 -3.315 -1.388 0.454 2.230 3.966 5.692 7.453 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -14.927 -12.333 -9.861 -7.548 -5.385 -3.350 -1.424 0.416 2.190 3.921 5.638 7.385 9.220 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -14.977 -12.383 -9.909 -7.595 -5.431 -3.396 -1.471 0.367 2.137 3.862 5.570 7.298 9.101 11.079 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.042 -12.446 -9.971 -7.655 -5.490 -3.455 -1.531 0.305 2.071 3.789 5.484 7.191 8.956 10.864 13.180 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.092 -12.495 -10.018 -7.701 -5.535 -3.501 -1.577 0.257 2.020 3.732 5.419 7.110 8.849 10.709 12.922 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.163 -12.565 -10.086 -7.767 -5.600 -3.565 -1.643 0.189 1.948 3.653 5.328 6.999 8.703 10.501 12.586 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.234 -12.634 -10.153 -7.832 -5.664 -3.629 -1.707 0.122 1.877 3.576 5.240 6.893 8.565 10.309 12.284 15.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.304 -12.703 -10.219 -7.897 -5.727 -3.692 -1.771 0.056 1.807 3.500 5.154 6.790 8.435 10.132 12.010 14.718 15.517 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.374 -12.771 -10.285 -7.961 -5.790 -3.755 -1.834 -0.009 1.739 3.427 5.071 6.692 8.312 9.966 11.761 14.491 15.179 15.952 16.972 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.443 -12.839 -10.351 -8.024 -5.852 -3.817 -1.897 -0.073 1.671 3.354 4.991 6.598 8.195 9.813 11.534 14.288 14.943 15.628 16.381 17.278 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.512 -12.906 -10.416 -8.087 -5.914 -3.878 -1.959 -0.137 1.605 3.283 4.912 6.507 8.085 9.670 11.328 14.105 14.737 15.387 16.066 16.800 17.629 18.604 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.580 -12.973 -10.480 -8.150 -5.975 -3.939 -2.020 -0.199 1.540 3.213 4.835 6.419 7.980 9.537 11.141 13.937 14.552 15.178 15.822 16.494 17.208 17.990 18.865 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.647 -13.039 -10.544 -8.212 -6.036 -3.999 -2.080 -0.261 1.476 3.145 4.761 6.335 7.880 9.413 10.972 13.780 14.381 14.991 15.611 16.249 16.910 17.606 18.350 19.155 20.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.714 -13.105 -10.608 -8.273 -6.096 -4.058 -2.140 -0.322 1.412 3.078 4.688 6.253 7.785 9.297 10.818 13.634 14.223 14.819 15.422 16.036 16.665 17.315 17.992 18.704 19.457 20.254 21.091 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.781 -13.170 -10.671 -8.334 -6.156 -4.117 -2.199 -0.382 1.350 3.012 4.616 6.174 7.694 9.189 10.679 13.496 14.075 14.659 15.248 15.845 16.452 17.072 17.709 18.367 19.051 19.761 20.500 21.262 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.847 -13.235 -10.733 -8.395 -6.215 -4.176 -2.258 -0.442 1.288 2.947 4.547 6.097 7.608 9.088 10.553 13.365 13.936 14.510 15.087 15.670 16.260 16.859 17.469 18.093 18.732 19.389 20.064 20.755 21.459 22.170 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.912 -13.299 -10.796 -8.455 -6.274 -4.234 -2.316 -0.501 1.227 2.883 4.478 6.023 7.525 8.993 10.438 13.240 13.803 14.368 14.936 15.508 16.084 16.667 17.257 17.856 18.466 19.087 19.719 20.363 21.015 21.672 22.329 99999.999 99999.999 99999.999 99999.999 99999.999 -15.977 -13.363 -10.857 -8.515 -6.332 -4.291 -2.373 -0.559 1.167 2.820 4.411 5.950 7.445 8.903 10.333 13.121 13.677 14.234 14.793 15.355 15.920 16.490 17.064 17.645 18.233 18.829 19.432 20.041 20.657 21.275 21.894 22.508 23.113 99999.999 99999.999 99999.999 -16.042 -13.427 -10.919 -8.574 -6.390 -4.348 -2.430 -0.617 1.107 2.758 4.345 5.879 7.368 8.817 10.236 13.006 13.556 14.107 14.658 15.211 15.766 16.325 16.887 17.453 18.024 18.600 19.181 19.767 20.356 20.946 21.535 22.121 22.700 23.267 99999.999 99999.999 -16.106 -13.490 -10.980 -8.633 -6.447 -4.405 -2.487 -0.674 1.049 2.696 4.281 5.810 7.293 8.736 10.145 12.896 13.441 13.985 14.529 15.074 15.621 16.170 16.721 17.275 17.833 18.394 18.958 19.525 20.093 20.662 21.230 21.794 22.351 22.899 23.435 23.955 -16.170 -13.552 -11.040 -8.692 -6.505 -4.461 -2.543 -0.731 0.991 2.636 4.217 5.742 7.220 8.656 10.058 12.790 13.329 13.868 14.406 14.944 15.483 16.024 16.566 17.110 17.656 18.204 18.754 19.306 19.859 20.411 20.962 21.509 22.050 22.583 23.105 23.615 -16.787 -14.160 -11.627 -9.258 -7.055 -5.002 -3.079 -1.270 0.441 2.069 3.625 5.118 6.557 7.947 9.294 11.882 12.386 12.886 13.383 13.877 14.368 14.857 15.343 15.828 16.310 16.791 17.271 17.748 18.224 18.697 19.169 19.638 20.104 20.567 21.026 21.481 -17.371 -14.737 -12.184 -9.795 -7.576 -5.510 -3.580 -1.770 -0.062 1.556 3.096 4.569 5.981 7.341 8.653 11.154 11.637 12.116 12.590 13.059 13.525 13.987 14.445 14.900 15.352 15.801 16.247 16.690 17.131 17.569 18.005 18.439 18.870 19.298 19.724 20.147 -17.929 -15.289 -12.717 -10.309 -8.072 -5.993 -4.054 -2.239 -0.532 1.081 2.612 4.071 5.466 6.804 8.092 10.534 11.003 11.467 11.926 12.380 12.829 13.274 13.714 14.151 14.583 15.012 15.438 15.860 16.279 16.695 17.108 17.519 17.926 18.332 18.735 19.135 -18.466 -15.821 -13.230 -10.803 -8.549 -6.456 -4.507 -2.685 -0.975 0.637 2.162 3.612 4.995 6.319 7.588 9.987 10.447 10.901 11.349 11.792 12.229 12.662 13.090 13.513 13.933 14.348 14.759 15.166 15.571 15.971 16.369 16.763 17.155 17.543 17.930 18.313 -18.987 -16.337 -13.727 -11.281 -9.009 -6.902 -4.942 -3.112 -1.398 0.216 1.739 3.184 4.559 5.871 7.128 9.495 9.947 10.394 10.834 11.268 11.698 12.121 12.540 12.954 13.364 13.769 14.170 14.566 14.960 15.349 15.735 16.118 16.497 16.874 17.248 17.619 -19.495 -16.840 -14.211 -11.745 -9.456 -7.334 -5.362 -3.523 -1.803 -0.187 1.337 2.779 4.149 5.454 6.701 9.044 9.491 9.932 10.366 10.794 11.217 11.634 12.046 12.453 12.855 13.253 13.646 14.035 14.419 14.801 15.178 15.552 15.923 16.290 16.655 17.016 -19.992 -17.332 -14.683 -12.197 -9.891 -7.754 -5.770 -3.921 -2.194 -0.573 0.953 2.394 3.761 5.061 6.301 8.626 9.069 9.506 9.935 10.359 10.777 11.189 11.595 11.997 12.393 12.785 13.172 13.555 13.934 14.308 14.679 15.047 15.410 15.771 16.128 16.483 99999.999 -17.814 -15.146 -12.640 -10.316 -8.164 -6.167 -4.308 -2.572 -0.946 0.583 2.026 3.391 4.688 5.924 8.236 8.676 9.108 9.535 9.955 10.369 10.777 11.179 11.577 11.969 12.356 12.739 13.117 13.491 13.860 14.226 14.588 14.947 15.302 15.654 16.003 HAs3S6-2 HAs3S6(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 7.000 1 3.000 25 6.000 6 -9.000 2 -100.630 -92.754 -86.468 -81.392 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -100.630 -92.754 -86.468 -81.392 -77.272 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -100.630 -92.755 -86.469 -81.393 -77.272 -73.929 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 5 13.000 1 3.000 25 -12.000 31 -9.000 2 6.000 4 811.963 737.147 672.167 615.289 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 811.963 737.147 672.167 615.290 565.021 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 811.973 737.156 672.176 615.298 565.029 520.177 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 815.553 740.411 675.236 618.243 567.922 523.081 482.775 446.253 412.905 382.228 353.796 327.239 302.211 278.351 255.144 211.142 201.729 191.875 181.354 169.894 157.250 143.363 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 815.900 740.726 675.531 618.526 568.198 523.356 483.055 446.543 413.213 382.563 354.173 327.679 302.751 279.052 256.141 212.871 203.907 194.705 185.145 175.079 164.352 152.845 140.541 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 816.245 741.038 675.824 618.806 568.472 523.628 483.331 446.829 413.515 382.891 354.539 328.104 303.263 279.705 257.043 214.317 205.657 196.870 187.882 178.606 168.946 158.812 148.146 136.956 125.331 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 816.587 741.349 676.115 619.085 568.744 523.898 483.604 447.112 413.813 383.212 354.896 328.513 303.751 280.315 257.864 215.569 207.131 198.633 190.026 181.254 172.252 162.960 153.327 143.328 132.981 122.350 111.545 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 816.928 741.657 676.404 619.361 569.013 524.165 483.875 447.390 414.107 383.528 355.245 328.910 304.218 280.887 258.613 216.679 208.411 200.128 191.795 183.371 174.813 166.077 157.125 147.928 138.481 128.804 118.951 108.998 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 817.267 741.964 676.691 619.635 569.281 524.431 484.143 447.666 414.396 383.839 355.586 329.294 304.664 281.425 259.299 217.680 209.548 201.432 193.306 185.139 176.899 168.555 160.075 151.438 142.630 133.654 124.534 115.311 106.043 96.797 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 817.604 742.269 676.976 619.908 569.546 524.693 484.408 447.939 414.682 384.144 355.919 329.666 305.092 281.932 259.931 218.595 210.574 202.593 194.630 186.660 178.660 170.605 162.472 154.241 145.898 137.442 128.879 120.232 111.536 102.836 94.182 99999.999 99999.999 99999.999 99999.999 99999.999 817.939 742.572 677.260 620.179 569.809 524.954 484.670 448.208 414.963 384.444 356.245 330.029 305.504 282.414 260.516 219.440 211.513 203.642 195.811 187.999 180.187 172.354 164.484 156.559 148.567 140.502 132.367 124.171 115.937 107.692 99.473 91.319 83.268 99999.999 99999.999 99999.999 818.272 742.874 677.541 620.448 570.071 525.212 484.930 448.474 415.241 384.740 356.565 330.382 305.902 282.872 261.061 220.227 212.379 204.602 196.880 189.197 181.536 173.881 166.217 158.530 150.810 143.049 135.246 127.406 119.542 111.672 103.821 96.017 88.292 80.675 99999.999 99999.999 818.604 743.174 677.821 620.715 570.330 525.469 485.188 448.738 415.516 385.031 356.879 330.726 306.287 283.312 261.574 220.965 213.186 205.489 197.860 190.284 182.748 175.238 167.740 160.244 152.739 145.219 137.680 130.125 122.560 114.997 107.454 99.951 92.511 85.159 77.919 70.813 818.933 743.472 678.100 620.981 570.588 525.723 485.443 448.999 415.787 385.317 357.188 331.064 306.662 283.735 262.064 221.661 213.942 206.314 198.765 191.281 183.850 176.460 169.100 161.759 154.430 147.104 139.779 132.455 125.134 117.825 110.540 103.292 96.100 88.982 81.960 75.050 822.141 746.369 680.801 623.551 573.076 528.169 487.886 451.476 418.341 387.991 360.028 334.124 310.003 287.432 266.212 227.137 219.779 212.552 205.449 198.462 191.584 184.809 178.130 171.541 165.037 158.614 152.266 145.991 139.785 133.646 127.573 121.564 115.619 109.740 103.925 98.178 825.209 749.134 683.372 625.989 575.425 530.465 490.160 453.761 420.666 390.390 362.534 336.771 312.827 290.475 269.519 231.146 223.962 216.922 210.021 203.251 196.605 190.079 183.666 177.361 171.159 165.055 159.046 153.127 147.295 141.547 135.879 130.289 124.774 119.334 113.965 108.667 828.164 751.790 685.836 628.319 577.662 532.641 492.304 455.898 422.822 392.590 364.805 339.137 315.315 293.109 272.328 234.400 227.322 220.395 213.613 206.969 200.456 194.070 187.805 181.655 175.615 169.682 163.851 158.117 152.477 146.927 141.465 136.087 130.790 125.571 120.429 115.361 831.029 754.355 688.210 630.559 579.807 534.720 494.342 457.917 424.845 394.638 366.898 341.296 317.559 295.459 274.802 237.183 230.177 223.326 216.623 210.062 203.637 197.342 191.171 185.121 179.184 173.358 167.638 162.019 156.498 151.071 145.734 140.485 135.320 130.237 125.232 120.303 833.822 756.846 690.508 632.723 581.873 536.717 496.292 459.842 426.762 396.566 368.854 343.297 319.621 297.597 277.031 239.637 232.683 225.886 219.240 212.739 206.375 200.144 194.040 188.059 182.194 176.442 170.797 165.257 159.817 154.472 149.221 144.059 138.983 133.989 129.077 124.241 836.556 759.275 692.742 634.820 583.872 538.644 498.169 461.686 428.591 398.395 370.698 345.171 321.538 299.571 279.073 241.848 234.933 228.177 221.573 215.115 208.797 202.614 196.559 190.628 184.815 179.116 173.527 168.044 162.662 157.377 152.186 147.086 142.073 137.145 132.297 127.528 839.241 761.652 694.921 636.861 585.813 540.512 499.983 463.463 430.347 400.142 372.451 346.942 323.339 301.412 280.966 243.870 236.984 230.259 223.688 217.264 210.981 204.833 198.815 192.922 187.149 181.491 175.943 170.502 165.163 159.923 154.778 149.724 144.758 139.876 135.077 130.357 99999.999 763.985 697.051 638.852 587.703 542.326 501.741 465.181 432.038 401.821 374.127 348.627 325.044 303.146 282.738 245.741 238.879 232.178 225.631 219.233 212.977 206.857 200.868 195.004 189.261 183.634 178.119 172.710 167.404 162.198 157.087 152.068 147.137 142.292 137.529 132.846 H2As3S6- H2As3S6(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 4 8.000 1 3.000 25 6.000 6 -9.000 2 -109.002 -100.661 -94.016 -88.657 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -109.002 -100.661 -94.016 -88.657 -84.315 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -109.001 -100.661 -94.016 -88.657 -84.315 -80.801 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -108.973 -100.694 -94.055 -88.680 -84.309 -80.754 -77.882 -75.593 -73.819 -72.516 -71.674 -71.315 -71.521 -72.509 -75.086 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -108.969 -100.703 -94.066 -88.687 -84.309 -80.745 -77.860 -75.555 -73.761 -72.431 -71.547 -71.124 -71.221 -72.001 -74.023 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -108.967 -100.714 -94.077 -88.695 -84.309 -80.736 -77.839 -75.519 -73.705 -72.349 -71.428 -70.946 -70.947 -71.555 -73.183 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-76.734 -79.089 -82.345 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -108.968 -100.762 -94.127 -88.729 -84.317 -80.708 -77.766 -75.391 -73.507 -72.060 -71.011 -70.343 -70.054 -70.179 -70.856 -72.891 -73.853 -75.076 -76.651 -78.698 -81.334 -84.615 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -108.971 -100.775 -94.141 -88.738 -84.320 -80.703 -77.751 -75.363 -73.463 -71.995 -70.920 -70.214 -69.870 -69.911 -70.436 -72.194 -72.971 -73.929 -75.113 -76.584 -78.410 -80.649 -83.324 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -108.975 -100.789 -94.155 -88.748 -84.324 -80.698 -77.736 -75.335 -73.420 -71.933 -70.834 -70.093 -69.700 -69.666 -70.062 -71.611 -72.262 -73.048 -73.998 -75.143 -76.524 -78.180 -80.138 -82.405 -84.949 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -108.980 -100.804 -94.169 -88.759 -84.328 -80.694 -77.722 -75.309 -73.379 -71.874 -70.751 -69.979 -69.542 -69.443 -69.729 -71.108 -71.665 -72.331 -73.122 -74.059 -75.166 -76.467 -77.984 -79.730 -81.700 -83.871 -86.196 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -108.986 -100.819 -94.184 -88.770 -84.332 -80.691 -77.709 -75.284 -73.340 -71.818 -70.672 -69.871 -69.395 -69.239 -69.433 -70.664 -71.148 -71.723 -72.399 -73.190 -74.111 -75.179 -76.408 -77.809 -79.386 -81.130 -83.021 -85.024 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -108.993 -100.835 -94.199 -88.781 -84.337 -80.688 -77.696 -75.261 -73.303 -71.763 -70.597 -69.769 -69.257 -69.052 -69.168 -70.266 -70.691 -71.194 -71.782 -72.464 -73.252 -74.154 -75.183 -76.346 -77.648 -79.085 -80.649 -82.321 -84.075 -85.880 99999.999 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Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 5 14.000 1 3.000 25 -12.000 31 -9.000 2 6.000 4 803.591 729.240 664.620 608.025 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 803.591 729.240 664.620 608.025 557.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 803.601 729.249 664.628 608.033 557.986 513.306 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 803.620 729.267 664.645 608.049 558.002 513.322 473.066 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 803.651 729.296 664.672 608.075 558.028 513.348 473.094 436.504 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 803.702 729.342 664.716 608.118 558.070 513.391 473.138 436.551 402.997 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 803.778 729.412 664.781 608.181 558.133 513.455 473.205 436.622 403.076 372.009 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 803.887 729.511 664.875 608.272 558.223 513.546 473.299 436.724 403.188 372.139 343.043 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 804.037 729.648 665.005 608.397 558.346 513.671 473.429 436.862 403.342 372.317 343.263 315.613 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 804.238 729.831 665.178 608.564 558.511 513.838 473.602 437.047 403.545 372.552 343.552 316.001 289.184 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 804.500 730.070 665.403 608.782 558.726 514.055 473.827 437.286 403.808 372.854 343.920 316.489 289.914 262.995 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 804.836 730.376 665.692 609.061 559.002 514.332 474.114 437.591 404.142 373.234 344.380 317.088 290.783 264.522 235.106 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 805.096 730.613 665.915 609.277 559.214 514.546 474.335 437.825 404.397 373.523 344.725 317.532 291.409 265.547 237.751 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 805.467 730.952 666.234 609.584 559.517 514.851 474.648 438.155 404.756 373.929 345.206 318.141 292.248 266.853 240.426 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 805.836 731.287 666.550 609.889 559.816 515.152 474.957 438.481 405.109 374.324 345.670 318.720 293.026 268.010 242.505 172.167 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 806.202 731.621 666.864 610.191 560.113 515.449 475.262 438.801 405.454 374.709 346.118 319.271 293.752 269.054 244.244 191.895 174.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 806.566 731.952 667.175 610.490 560.407 515.744 475.564 439.117 405.793 375.084 346.552 319.798 294.433 270.005 245.749 197.692 185.426 170.675 152.118 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 806.927 732.280 667.484 610.787 560.698 516.035 475.861 439.428 406.126 375.452 346.972 320.302 295.074 270.878 247.077 201.069 190.528 178.963 165.823 150.549 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 807.286 732.607 667.791 611.082 560.987 516.323 476.155 439.734 406.453 375.811 347.380 320.787 295.679 271.685 248.263 203.489 193.791 183.573 172.585 160.527 147.137 132.365 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 807.643 732.931 668.095 611.374 561.273 516.609 476.446 440.037 406.775 376.162 347.777 321.252 296.253 272.433 249.331 205.398 196.206 186.725 176.820 166.330 155.083 142.952 129.931 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 807.998 733.253 668.398 611.664 561.557 516.892 476.734 440.335 407.092 376.507 348.163 321.701 296.797 273.130 250.297 206.989 198.138 189.124 179.865 170.263 160.213 149.617 138.416 126.624 114.345 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 808.350 733.573 668.698 611.952 561.838 517.172 477.018 440.630 407.404 376.844 348.539 322.134 297.316 273.780 251.176 208.361 199.759 191.071 182.240 173.204 163.894 154.242 144.194 133.725 122.859 111.672 100.286 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 808.701 733.891 668.996 612.238 562.117 517.449 477.299 440.921 407.711 377.176 348.906 322.553 297.810 274.389 251.977 209.574 201.163 192.716 184.193 175.549 166.737 157.708 148.422 138.848 128.982 118.851 108.514 98.059 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 809.049 734.208 669.293 612.522 562.394 517.725 477.578 441.208 408.013 377.501 349.265 322.959 298.284 274.962 252.711 210.665 202.406 194.147 185.855 177.500 169.045 160.455 151.699 142.751 133.598 124.245 114.720 105.071 95.363 85.671 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 809.395 734.522 669.587 612.803 562.669 517.997 477.853 441.492 408.312 377.821 349.615 323.353 298.738 275.503 253.386 211.661 203.526 195.417 187.308 179.173 170.987 162.723 154.354 145.860 137.228 128.454 119.548 110.538 101.462 92.372 83.322 99999.999 99999.999 99999.999 99999.999 99999.999 809.739 734.834 669.879 613.083 562.941 518.268 478.126 441.773 408.606 378.136 349.959 323.735 299.174 276.015 254.011 212.578 204.548 196.562 188.600 180.642 172.667 164.652 156.577 148.426 140.186 131.850 123.421 114.912 106.348 97.762 89.193 80.686 72.282 99999.999 99999.999 99999.999 810.082 735.145 670.170 613.361 563.212 518.536 478.397 442.050 408.896 378.445 350.295 324.108 299.596 276.503 254.594 213.431 205.489 197.607 189.768 181.954 174.148 166.331 158.488 150.603 142.666 134.669 126.612 118.501 110.349 102.179 94.018 85.898 77.855 69.921 99999.999 99999.999 810.422 735.453 670.459 613.637 563.481 518.802 478.665 442.325 409.183 378.750 350.625 324.471 300.004 276.971 255.143 214.229 206.364 198.571 190.836 183.142 175.475 167.820 160.163 152.491 144.795 137.068 129.305 121.511 113.693 105.866 98.047 90.261 82.535 74.895 67.368 59.979 810.761 735.760 670.746 613.912 563.748 519.066 478.930 442.597 409.466 379.051 350.949 324.827 300.400 277.421 255.665 214.980 207.182 199.467 191.820 184.228 176.679 169.158 161.655 154.157 146.657 139.147 131.624 124.088 116.543 108.998 101.466 93.965 86.514 79.135 71.850 64.680 814.053 738.742 673.531 616.566 566.321 521.600 481.466 445.175 412.130 381.847 353.928 328.046 303.927 281.339 260.079 220.860 213.461 206.190 199.038 191.998 185.063 178.226 171.480 164.820 158.240 151.735 145.302 138.936 132.635 126.396 120.218 114.101 108.044 102.048 96.114 90.245 817.198 741.585 676.180 619.082 568.749 523.976 483.825 447.548 414.552 384.351 356.550 330.823 306.899 284.549 263.579 225.131 217.923 210.859 203.929 197.128 190.449 183.887 177.435 171.088 164.842 158.691 152.632 146.661 140.774 134.968 129.240 123.588 118.010 112.502 107.065 101.696 820.223 744.313 678.716 621.485 571.059 526.228 486.045 449.766 416.793 386.643 358.921 333.299 309.508 287.319 266.541 228.581 221.490 214.549 207.750 201.087 194.555 188.146 181.856 175.680 169.613 163.649 157.786 152.019 146.343 140.757 135.256 129.837 124.498 119.236 114.049 108.934 823.154 746.947 681.158 623.793 573.272 528.376 488.155 451.861 418.895 388.774 361.104 335.555 311.858 289.785 269.143 231.521 224.509 217.650 210.939 204.367 197.930 191.621 185.436 179.369 173.414 167.569 161.827 156.186 150.641 145.189 139.826 134.549 129.355 124.241 119.205 114.243 826.010 749.503 683.521 626.021 575.404 530.439 490.173 453.854 420.884 390.778 363.140 337.642 314.013 292.024 271.482 234.107 227.152 220.353 213.703 207.197 200.827 194.589 188.476 182.484 176.608 170.843 165.185 159.630 154.173 148.812 143.542 138.360 133.263 128.248 123.313 118.454 828.803 751.994 685.817 628.180 577.465 532.429 492.113 455.764 422.781 392.678 365.058 339.595 316.015 294.088 273.621 236.431 229.519 222.765 216.162 209.703 203.383 197.197 191.138 185.201 179.382 173.676 168.078 162.585 157.192 151.895 146.692 141.578 136.550 131.606 126.742 121.955 831.546 754.430 688.055 630.280 579.464 534.355 493.987 457.602 424.599 394.491 366.880 341.439 317.893 296.012 275.601 238.554 231.674 224.954 218.386 211.965 205.683 199.536 193.517 187.622 181.846 176.184 170.632 165.185 159.839 154.591 149.437 144.374 139.397 134.504 129.693 124.960 99999.999 756.821 690.243 632.327 581.411 536.226 495.802 459.379 426.351 396.231 368.621 343.191 319.668 297.821 277.453 240.515 233.661 226.967 220.427 214.034 207.782 201.665 195.678 189.815 184.072 178.444 172.927 167.515 162.206 156.995 151.878 146.853 141.915 137.062 132.290 127.597 H3As3S6,aq H3As3S6(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 9.000 1 3.000 25 6.000 6 -9.000 2 -112.856 -104.241 -97.353 -91.778 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -112.856 -104.241 -97.353 -91.778 -87.244 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -112.855 -104.241 -97.353 -91.779 -87.244 -83.558 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -112.855 -104.242 -97.353 -91.779 -87.244 -83.557 -80.583 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -112.854 -104.242 -97.354 -91.779 -87.243 -83.556 -80.581 -78.219 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -112.852 -104.243 -97.355 -91.779 -87.243 -83.554 -80.577 -78.213 -76.397 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -112.850 -104.244 -97.356 -91.780 -87.242 -83.551 -80.571 -78.203 -76.382 -75.078 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -112.847 -104.245 -97.359 -91.781 -87.241 -83.547 -80.562 -78.189 -76.361 -75.047 -74.257 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -112.843 -104.247 -97.361 -91.782 -87.239 -83.541 -80.551 -78.171 -76.333 -75.005 -74.193 -73.965 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -112.838 -104.251 -97.366 -91.784 -87.237 -83.534 -80.536 -78.147 -76.296 -74.950 -74.110 -73.834 -74.274 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -112.832 -104.255 -97.371 -91.787 -87.235 -83.524 -80.518 -78.116 -76.249 -74.880 -74.006 -73.672 -74.001 -75.357 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -112.825 -104.261 -97.379 -91.791 -87.233 -83.513 -80.494 -78.077 -76.191 -74.794 -73.878 -73.474 -73.680 -74.761 -77.862 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -112.820 -104.267 -97.385 -91.795 -87.231 -83.505 -80.477 -78.049 -76.148 -74.730 -73.783 -73.330 -73.450 -74.359 -76.859 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -112.814 -104.275 -97.394 -91.800 -87.230 -83.493 -80.453 -78.009 -76.087 -74.642 -73.654 -73.136 -73.146 -73.848 -75.799 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -112.810 -104.284 -97.404 -91.806 -87.228 -83.483 -80.431 -77.971 -76.030 -74.558 -73.532 -72.955 -72.869 -73.396 -74.955 -85.078 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -112.807 -104.293 -97.414 -91.812 -87.228 -83.473 -80.409 -77.935 -75.975 -74.478 -73.417 -72.786 -72.613 -72.993 -74.242 -78.433 -82.055 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -112.805 -104.303 -97.425 -91.819 -87.228 -83.464 -80.389 -77.900 -75.923 -74.402 -73.308 -72.627 -72.378 -72.629 -73.624 -76.460 -78.243 -80.978 -85.250 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -112.804 -104.314 -97.436 -91.826 -87.229 -83.456 -80.370 -77.867 -75.872 -74.330 -73.204 -72.479 -72.161 -72.300 -73.082 -75.278 -76.479 -78.110 -80.381 -83.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -112.804 -104.325 -97.448 -91.834 -87.230 -83.448 -80.351 -77.836 -75.824 -74.260 -73.106 -72.339 -71.960 -72.001 -72.602 -74.417 -75.328 -76.495 -78.006 -79.981 -82.542 -85.753 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -112.806 -104.337 -97.460 -91.842 -87.231 -83.442 -80.334 -77.805 -75.778 -74.194 -73.012 -72.208 -71.773 -71.729 -72.176 -73.730 -74.463 -75.373 -76.505 -77.918 -79.680 -81.855 -84.468 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -112.808 -104.349 -97.472 -91.850 -87.234 -83.435 -80.318 -77.776 -75.733 -74.130 -72.923 -72.084 -71.600 -71.480 -71.797 -73.154 -73.765 -74.509 -75.412 -76.508 -77.836 -79.435 -81.336 -83.547 -86.041 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -112.812 -104.362 -97.485 -91.859 -87.236 -83.430 -80.302 -77.749 -75.691 -74.069 -72.838 -71.968 -71.439 -71.254 -71.459 -72.656 -73.175 -73.802 -74.551 -75.445 -76.505 -77.756 -79.222 -80.917 -82.837 -84.960 -87.243 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -112.816 -104.376 -97.498 -91.869 -87.239 -83.425 -80.287 -77.722 -75.650 -74.010 -72.757 -71.857 -71.289 -71.047 -71.159 -72.215 -72.664 -73.201 -73.839 -74.590 -75.469 -76.493 -77.676 -79.030 -80.560 -82.257 -84.103 -86.066 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -112.822 -104.390 -97.512 -91.878 -87.243 -83.421 -80.273 -77.697 -75.610 -73.954 -72.680 -71.753 -71.149 -70.857 -70.891 -71.820 -72.210 -72.678 -73.230 -73.875 -74.623 -75.486 -76.473 -77.593 -78.850 -80.244 -81.765 -83.395 -85.110 -86.878 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -112.829 -104.405 -97.526 -91.888 -87.247 -83.417 -80.260 -77.672 -75.573 -73.900 -72.606 -71.654 -71.018 -70.682 -70.651 -71.460 -71.802 -72.212 -72.696 -73.258 -73.908 -74.650 -75.494 -76.444 -77.505 -78.677 -79.956 -81.332 -82.789 -84.307 -85.862 99999.999 99999.999 99999.999 99999.999 99999.999 -112.836 -104.420 -97.541 -91.899 -87.251 -83.414 -80.248 -77.649 -75.536 -73.848 -72.535 -71.560 -70.894 -70.520 -70.435 -71.129 -71.431 -71.793 -72.220 -72.716 -73.286 -73.936 -74.670 -75.492 -76.406 -77.413 -78.509 -79.689 -80.943 -82.258 -83.615 -84.998 -86.385 99999.999 99999.999 99999.999 -112.845 -104.436 -97.555 -91.909 -87.256 -83.411 -80.236 -77.626 -75.501 -73.798 -72.467 -71.470 -70.778 -70.370 -70.240 -70.823 -71.089 -71.411 -71.790 -72.231 -72.737 -73.312 -73.959 -74.682 -75.482 -76.360 -77.315 -78.343 -79.436 -80.587 -81.782 -83.006 -84.246 -85.486 99999.999 99999.999 -112.854 -104.452 -97.571 -91.920 -87.261 -83.409 -80.225 -77.605 -75.467 -73.749 -72.402 -71.384 -70.667 -70.230 -70.061 -70.538 -70.773 -71.059 -71.398 -71.792 -72.245 -72.758 -73.335 -73.977 -74.686 -75.462 -76.305 -77.212 -78.177 -79.195 -80.255 -81.348 -82.461 -83.582 -84.699 -85.799 -112.865 -104.469 -97.586 -91.932 -87.266 -83.407 -80.215 -77.584 -75.435 -73.703 -72.338 -71.302 -70.562 -70.097 -69.893 -70.272 -70.479 -70.734 -71.037 -71.391 -71.798 -72.259 -72.777 -73.353 -73.987 -74.681 -75.434 -76.242 -77.104 -78.012 -78.962 -79.944 -80.949 -81.967 -82.988 -84.001 -113.016 -104.662 -97.761 -92.064 -87.342 -83.415 -80.144 -77.422 -75.168 -73.314 -71.810 -70.614 -69.690 -69.010 -68.554 -68.253 -68.287 -68.350 -68.444 -68.568 -68.721 -68.904 -69.117 -69.358 -69.629 -69.928 -70.254 -70.608 -70.987 -71.391 -71.819 -72.269 -72.739 -73.227 -73.731 -74.249 -113.243 -104.899 -97.969 -92.226 -87.449 -83.461 -80.121 -77.324 -74.983 -73.033 -71.422 -70.105 -69.047 -68.219 -67.596 -66.895 -66.834 -66.798 -66.786 -66.798 -66.834 -66.892 -66.973 -67.076 -67.200 -67.345 -67.511 -67.696 -67.900 -68.123 -68.364 -68.622 -68.896 -69.186 -69.490 -69.808 -113.530 -105.174 -98.204 -92.414 -87.584 -83.538 -80.137 -77.273 -74.859 -72.829 -71.130 -69.717 -68.554 -67.613 -66.866 -65.882 -65.758 -65.657 -65.577 -65.518 -65.480 -65.462 -65.463 -65.483 -65.521 -65.577 -65.651 -65.741 -65.848 -65.970 -66.108 -66.261 -66.428 -66.609 -66.803 -67.010 -113.867 -105.480 -98.466 -92.625 -87.742 -83.642 -80.184 -77.260 -74.782 -72.684 -70.910 -69.417 -68.169 -67.135 -66.290 -65.090 -64.919 -64.769 -64.639 -64.529 -64.438 -64.366 -64.311 -64.273 -64.253 -64.248 -64.260 -64.287 -64.328 -64.385 -64.455 -64.539 -64.636 -64.745 -64.868 -65.002 -114.244 -105.814 -98.749 -92.856 -87.921 -83.768 -80.257 -77.278 -74.743 -72.584 -70.746 -69.185 -67.863 -66.752 -65.827 -64.451 -64.242 -64.055 -63.886 -63.736 -63.605 -63.491 -63.394 -63.313 -63.248 -63.199 -63.165 -63.145 -63.139 -63.147 -63.168 -63.202 -63.249 -63.307 -63.378 -63.459 -114.653 -106.171 -99.053 -93.107 -88.119 -83.915 -80.353 -77.323 -74.736 -72.522 -70.627 -69.006 -67.621 -66.444 -65.450 -63.927 -63.688 -63.468 -63.268 -63.086 -62.922 -62.775 -62.644 -62.529 -62.430 -62.345 -62.275 -62.218 -62.176 -62.146 -62.130 -62.126 -62.134 -62.154 -62.185 -62.227 -115.091 -106.547 -99.373 -93.374 -88.334 -84.080 -80.469 -77.390 -74.754 -72.492 -70.545 -68.871 -67.431 -66.196 -65.141 -63.492 -63.227 -62.981 -62.754 -62.545 -62.354 -62.179 -62.020 -61.877 -61.749 -61.636 -61.536 -61.451 -61.379 -61.319 -61.273 -61.238 -61.216 -61.205 -61.205 -61.216 99999.999 -106.940 -99.709 -93.656 -88.565 -84.261 -80.603 -77.478 -74.796 -72.487 -70.494 -68.771 -67.282 -65.996 -64.888 -63.129 -62.841 -62.573 -62.323 -62.091 -61.876 -61.678 -61.495 -61.329 -61.177 -61.039 -60.915 -60.805 -60.709 -60.625 -60.553 -60.494 -60.446 -60.410 -60.385 -60.372 H3As3S6,aq H3As3S6(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 5 15.000 1 3.000 25 -12.000 31 -9.000 2 6.000 4 799.737 725.660 661.283 604.903 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 799.737 725.660 661.283 604.903 555.048 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 799.747 725.670 661.291 604.912 555.057 510.549 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 799.766 725.687 661.308 604.927 555.072 510.564 470.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 799.798 725.716 661.335 604.954 555.099 510.591 470.492 434.041 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 799.849 725.763 661.379 604.997 555.141 510.634 470.536 434.088 400.660 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 799.925 725.832 661.445 605.061 555.204 510.698 470.603 434.160 400.740 369.786 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 800.035 725.932 661.540 605.152 555.295 510.790 470.698 434.262 400.852 369.917 340.925 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 800.186 726.070 661.670 605.278 555.419 510.915 470.829 434.401 401.007 370.096 341.146 313.588 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 800.387 726.254 661.843 605.446 555.585 511.083 471.003 434.587 401.212 370.332 341.436 313.978 287.246 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 800.650 726.494 662.070 605.665 555.801 511.301 471.229 434.827 401.476 370.636 341.806 314.468 287.979 261.141 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 800.988 726.802 662.361 605.945 556.078 511.581 471.517 435.134 401.812 371.019 342.268 315.071 288.850 262.669 233.345 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 801.249 727.040 662.585 606.162 556.292 511.796 471.739 435.369 402.068 371.309 342.616 315.517 289.480 263.697 235.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 801.622 727.380 662.906 606.471 556.596 512.102 472.054 435.702 402.430 371.717 343.100 316.130 290.323 265.007 238.651 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 801.993 727.718 663.223 606.777 556.897 512.405 472.365 436.029 402.784 372.115 343.566 316.711 291.105 266.169 240.733 170.972 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 802.361 728.053 663.539 607.081 557.195 512.704 472.672 436.352 403.132 372.502 344.016 317.266 291.835 267.218 242.478 190.481 172.955 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 802.726 728.385 663.852 607.382 557.491 513.000 472.975 436.669 403.473 372.880 344.453 317.795 292.519 268.174 243.989 196.215 184.030 169.383 150.940 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 803.089 728.716 664.162 607.680 557.784 513.293 473.275 436.982 403.808 373.249 344.875 318.303 293.164 269.052 245.324 199.562 189.080 177.587 164.532 149.347 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 803.450 729.044 664.470 607.977 558.074 513.583 473.570 437.290 404.137 373.610 345.286 318.790 293.773 269.863 246.517 201.964 192.315 182.154 171.231 159.244 145.929 131.227 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 803.808 729.370 664.776 608.270 558.362 513.870 473.863 437.594 404.460 373.964 345.685 319.259 294.350 270.615 247.591 203.862 194.714 185.280 175.429 164.996 153.812 141.747 128.788 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 804.164 729.693 665.080 608.562 558.647 514.154 474.152 437.894 404.779 374.310 346.073 319.710 294.897 271.315 248.563 205.445 196.635 187.664 178.450 168.898 158.901 148.362 137.218 125.482 113.253 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 804.518 730.015 665.382 608.851 558.930 514.436 474.438 438.190 405.092 374.650 346.451 320.146 295.419 271.969 249.446 206.813 198.249 189.600 180.810 171.819 162.555 152.953 142.956 132.539 121.723 110.583 99.239 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 804.870 730.335 665.682 609.139 559.210 514.715 474.721 438.483 405.401 374.983 346.821 320.567 295.916 272.582 250.251 208.023 199.648 191.237 182.752 174.148 165.378 156.394 147.154 137.627 127.809 117.724 107.431 97.017 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 805.220 730.652 665.980 609.424 559.489 514.992 475.001 438.772 405.705 375.311 347.181 320.975 296.392 273.157 250.988 209.112 200.887 192.663 184.407 176.089 167.673 159.124 150.410 141.504 132.395 123.087 113.605 103.997 94.329 84.672 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 805.568 730.968 666.276 609.707 559.765 515.266 475.278 439.058 406.005 375.632 347.534 321.371 296.848 273.701 251.666 210.106 202.005 193.929 185.854 177.755 169.606 161.378 153.048 144.594 136.003 127.270 118.406 109.436 100.400 91.347 82.333 99999.999 99999.999 99999.999 99999.999 99999.999 805.914 731.282 666.570 609.989 560.039 515.538 475.552 439.340 406.301 375.949 347.879 321.755 297.287 274.215 252.294 211.023 203.025 195.072 187.143 179.219 171.278 163.298 155.260 147.146 138.943 130.646 122.255 113.786 105.260 96.711 88.179 79.706 71.336 99999.999 99999.999 99999.999 806.258 731.594 666.862 610.268 560.311 515.807 475.824 439.619 406.594 376.260 348.217 322.130 297.710 274.705 252.879 211.876 203.966 196.116 188.309 180.527 172.753 164.970 157.161 149.312 141.410 133.450 125.429 117.354 109.240 101.106 92.980 84.896 76.886 68.985 99999.999 99999.999 806.600 731.904 667.152 610.546 560.581 516.075 476.094 439.895 406.882 376.567 348.549 322.495 298.120 275.175 253.430 212.674 204.840 197.078 189.374 181.712 174.077 166.454 158.829 151.191 143.529 135.836 128.108 120.349 112.566 104.773 96.990 89.238 81.545 73.938 66.442 59.084 806.940 732.213 667.441 610.821 560.849 516.340 476.361 440.169 407.167 376.869 348.875 322.853 298.519 275.627 253.954 213.426 205.659 197.974 190.357 182.796 175.278 167.788 160.316 152.851 145.383 137.906 130.415 122.912 115.401 107.890 100.392 92.924 85.506 78.159 70.905 63.766 810.247 735.209 670.240 613.490 563.436 518.888 478.910 442.761 409.846 379.681 351.871 326.090 302.065 279.564 258.387 219.319 211.949 204.706 197.582 190.569 183.661 176.851 170.131 163.497 156.943 150.464 144.056 137.715 131.439 125.225 119.072 112.979 106.946 100.974 95.065 89.220 813.404 738.065 672.901 616.018 565.877 521.277 481.282 445.148 412.281 382.199 354.508 328.883 305.053 282.791 261.904 223.607 216.428 209.391 202.488 195.714 189.061 182.524 176.098 169.776 163.554 157.427 151.392 145.444 139.580 133.797 128.091 122.461 116.903 111.417 106.001 100.653 816.442 740.805 675.450 618.433 568.199 523.540 483.514 447.378 414.535 384.505 356.893 331.374 307.677 285.578 264.883 227.074 220.011 213.098 206.326 199.690 193.183 186.800 180.535 174.384 168.340 162.401 156.561 150.816 145.163 139.598 134.119 128.721 123.403 118.161 112.994 107.899 819.385 743.451 677.904 620.753 570.424 525.700 485.635 449.483 416.648 386.648 359.088 333.643 310.041 288.057 267.499 230.029 223.046 216.215 209.531 202.986 196.575 190.292 184.132 178.089 172.158 166.336 160.618 154.999 149.477 144.046 138.704 133.448 128.275 123.181 118.165 113.223 822.252 746.018 680.278 622.992 572.566 527.773 487.663 451.488 418.648 388.662 361.136 335.742 312.209 290.310 269.852 232.630 225.704 218.933 212.311 205.831 199.488 193.275 187.187 181.220 175.368 169.627 163.992 158.460 153.025 147.686 142.437 137.276 132.200 127.205 122.290 117.450 825.056 748.520 682.584 625.161 574.637 529.773 489.614 453.407 420.555 390.572 363.065 337.705 314.222 292.385 272.003 234.968 228.084 221.358 214.783 208.351 202.058 195.897 189.863 183.952 178.157 172.475 166.900 161.430 156.059 150.785 145.603 140.510 135.503 130.579 125.735 120.968 827.809 750.967 684.833 627.271 576.647 531.709 491.497 455.255 422.383 392.396 364.897 339.559 316.110 294.320 273.995 237.103 230.252 223.560 217.020 210.626 204.371 198.249 192.256 186.387 180.635 174.997 169.468 164.044 158.721 153.495 148.363 143.321 138.365 133.493 128.701 123.988 99999.999 753.369 687.031 629.328 578.602 533.590 493.322 457.041 424.144 394.145 366.647 341.321 317.896 296.139 275.857 239.075 232.250 225.585 219.073 212.707 206.482 200.391 194.429 188.592 182.874 177.270 171.776 166.388 161.101 155.913 150.818 145.814 140.897 136.064 131.313 126.639 Au+3 Au(+3) P-T:All Charge = 3. Radius(Å) = 3.46 Alk. = 0.000 Ref: Shock07 5 2.250 1 -1.000 2 -0.250 6 1.000 19 0.250 4 41.258 38.930 36.932 35.201 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.258 38.930 36.932 35.201 33.688 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.258 38.929 36.931 35.200 33.688 32.358 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.257 38.928 36.930 35.199 33.687 32.357 31.182 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.255 38.926 36.928 35.197 33.685 32.355 31.180 30.139 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.252 38.924 36.926 35.194 33.682 32.352 31.177 30.136 29.211 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.248 38.919 36.921 35.190 33.678 32.348 31.173 30.131 29.206 28.383 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.242 38.913 36.915 35.184 33.672 32.342 31.167 30.125 29.199 28.376 27.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.235 38.905 36.907 35.176 33.663 32.333 31.158 30.116 29.189 28.365 27.637 26.998 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.224 38.893 36.896 35.165 33.652 32.322 31.146 30.104 29.176 28.351 27.621 26.979 26.410 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.210 38.879 36.881 35.150 33.638 32.308 31.132 30.088 29.160 28.333 27.600 26.954 26.384 25.840 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.193 38.860 36.862 35.132 33.620 32.289 31.113 30.068 29.138 28.310 27.574 26.923 26.348 25.823 25.170 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.179 38.846 36.848 35.118 33.605 32.275 31.098 30.053 29.122 28.293 27.554 26.899 26.320 25.799 25.286 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.160 38.826 36.828 35.097 33.585 32.255 31.077 30.032 29.100 28.268 27.526 26.866 26.279 25.756 25.306 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.141 38.806 36.808 35.078 33.566 32.235 31.057 30.010 29.077 28.244 27.499 26.833 26.239 25.708 25.269 19.213 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.123 38.786 36.788 35.058 33.546 32.215 31.037 29.990 29.055 28.220 27.472 26.802 26.200 25.660 25.212 22.129 20.537 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.104 38.766 36.768 35.039 33.527 32.196 31.017 29.969 29.034 28.197 27.446 26.771 26.162 25.612 25.147 22.835 22.052 20.927 19.427 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.086 38.747 36.749 35.019 33.508 32.177 30.998 29.949 29.013 28.174 27.421 26.742 26.126 25.567 25.083 23.153 22.626 21.947 21.064 19.974 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.069 38.728 36.730 35.000 33.489 32.158 30.979 29.930 28.992 28.152 27.397 26.714 26.092 25.524 25.021 23.331 22.920 22.429 21.828 21.096 20.239 19.309 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.051 38.709 36.711 34.982 33.471 32.140 30.960 29.910 28.972 28.131 27.373 26.687 26.060 25.484 24.964 23.441 23.095 22.700 22.241 21.702 21.075 20.365 19.603 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.034 38.691 36.692 34.963 33.452 32.121 30.941 29.891 28.952 28.109 27.350 26.661 26.030 25.447 24.912 23.513 23.207 22.869 22.491 22.062 21.574 21.022 20.415 19.769 19.111 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.017 38.672 36.674 34.945 33.434 32.103 30.923 29.872 28.932 28.089 27.328 26.636 26.002 25.413 24.867 23.560 23.281 22.981 22.654 22.292 21.891 21.444 20.951 20.418 19.856 19.281 18.709 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.000 38.654 36.655 34.927 33.416 32.085 30.905 29.854 28.913 28.068 27.306 26.612 25.975 25.383 24.828 23.591 23.331 23.057 22.764 22.447 22.103 21.726 21.314 20.868 20.391 19.892 19.381 18.866 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.984 38.636 36.637 34.909 33.399 32.068 30.887 29.835 28.894 28.048 27.284 26.589 25.950 25.355 24.794 23.610 23.365 23.110 22.841 22.556 22.250 21.921 21.567 21.185 20.776 20.345 19.895 19.433 18.965 18.497 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.967 38.618 36.619 34.891 33.381 32.050 30.870 29.817 28.875 28.029 27.264 26.567 25.927 25.330 24.765 23.622 23.388 23.146 22.895 22.632 22.355 22.061 21.747 21.413 21.056 20.679 20.284 19.873 19.451 19.022 18.590 99999.999 99999.999 99999.999 99999.999 99999.999 40.951 38.601 36.602 34.874 33.364 32.033 30.852 29.799 28.857 28.009 27.243 26.546 25.904 25.307 24.741 23.627 23.402 23.171 22.933 22.688 22.431 22.163 21.879 21.580 21.263 20.929 20.579 20.213 19.834 19.446 19.049 18.648 18.242 99999.999 99999.999 99999.999 40.935 38.583 36.584 34.857 33.347 32.016 30.835 29.782 28.839 27.990 27.223 26.525 25.883 25.285 24.720 23.628 23.409 23.187 22.960 22.727 22.487 22.237 21.977 21.704 21.418 21.118 20.804 20.476 20.135 19.784 19.423 19.054 18.679 18.299 99999.999 99999.999 40.919 38.566 36.567 34.839 33.330 31.999 30.818 29.764 28.821 27.971 27.204 26.505 25.862 25.265 24.701 23.625 23.412 23.196 22.978 22.755 22.527 22.293 22.050 21.798 21.536 21.262 20.977 20.680 20.372 20.053 19.724 19.387 19.042 18.691 18.335 17.972 40.904 38.549 36.550 34.822 33.313 31.982 30.801 29.747 28.803 27.953 27.185 26.485 25.842 25.245 24.683 23.620 23.411 23.201 22.989 22.775 22.557 22.334 22.105 21.869 21.626 21.373 21.111 20.839 20.558 20.267 19.967 19.658 19.342 19.018 18.689 18.353 40.757 38.387 36.386 34.661 33.153 31.824 30.643 29.586 28.638 27.782 27.006 26.300 25.654 25.057 24.502 23.491 23.301 23.115 22.931 22.751 22.573 22.397 22.223 22.051 21.880 21.710 21.540 21.371 21.202 21.033 20.864 20.694 20.523 20.352 20.179 20.004 40.626 38.239 36.235 34.512 33.006 31.679 30.498 29.441 28.489 27.629 26.849 26.137 25.485 24.885 24.329 23.326 23.140 22.959 22.782 22.608 22.439 22.273 22.111 21.951 21.795 21.642 21.491 21.344 21.198 21.055 20.915 20.776 20.640 20.506 20.373 20.242 40.505 38.101 36.095 34.372 32.869 31.543 30.364 29.307 28.354 27.491 26.707 25.990 25.334 24.729 24.169 23.164 22.979 22.798 22.622 22.450 22.283 22.119 21.959 21.803 21.651 21.502 21.356 21.214 21.075 20.939 20.806 20.676 20.549 20.425 20.304 20.185 40.394 37.971 35.962 34.240 32.739 31.416 30.238 29.182 28.228 27.364 26.577 25.857 25.196 24.587 24.024 23.012 22.826 22.645 22.469 22.296 22.129 21.965 21.805 21.650 21.498 21.349 21.205 21.064 20.926 20.792 20.660 20.532 20.408 20.286 20.167 20.052 40.289 37.847 35.835 34.114 32.616 31.295 30.119 29.063 28.111 27.245 26.456 25.734 25.070 24.457 23.890 22.872 22.685 22.503 22.325 22.152 21.983 21.819 21.658 21.502 21.349 21.201 21.056 20.914 20.776 20.641 20.510 20.382 20.257 20.135 20.016 19.901 40.191 37.730 35.714 33.994 32.498 31.179 30.005 28.951 27.999 27.134 26.344 25.619 24.953 24.337 23.767 22.742 22.554 22.370 22.192 22.017 21.848 21.682 21.521 21.363 21.210 21.060 20.914 20.771 20.632 20.497 20.365 20.236 20.110 19.987 19.867 19.751 40.096 37.616 35.597 33.878 32.384 31.067 29.895 28.843 27.892 27.027 26.237 25.512 24.843 24.225 23.652 22.622 22.432 22.248 22.068 21.893 21.722 21.555 21.393 21.234 21.079 20.929 20.781 20.638 20.498 20.361 20.228 20.098 19.971 19.847 19.726 19.608 99999.999 37.506 35.484 33.766 32.274 30.960 29.790 28.740 27.790 26.926 26.135 25.409 24.740 24.120 23.545 22.510 22.319 22.133 21.953 21.776 21.604 21.437 21.273 21.114 20.958 20.806 20.658 20.513 20.372 20.234 20.100 19.969 19.841 19.716 19.594 19.475 Au+3 Au(+3) P-T:All Charge = 3. Radius(Å) = 3.46 Alk. = 0.000 Ref: Shock07 4 2.000 1 -1.000 2 0.500 31 1.000 19 3.234 4.351 5.322 6.172 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.234 4.351 5.322 6.172 6.926 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.233 4.350 5.321 6.171 6.925 7.603 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.231 4.348 5.319 6.170 6.923 7.602 8.222 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.228 4.345 5.316 6.167 6.920 7.599 8.219 8.795 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.223 4.340 5.312 6.162 6.916 7.594 8.214 8.790 9.333 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.216 4.333 5.305 6.155 6.909 7.587 8.207 8.783 9.326 9.847 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.206 4.322 5.294 6.145 6.899 7.578 8.197 8.773 9.315 9.836 10.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.192 4.308 5.280 6.132 6.886 7.564 8.184 8.758 9.300 9.819 10.331 10.849 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.173 4.289 5.262 6.113 6.868 7.546 8.166 8.740 9.280 9.798 10.306 10.820 11.347 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.148 4.264 5.238 6.090 6.845 7.523 8.142 8.715 9.254 9.770 10.275 10.782 11.302 11.820 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.117 4.233 5.206 6.059 6.815 7.493 8.112 8.684 9.222 9.735 10.234 10.734 11.243 11.764 12.203 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.093 4.208 5.183 6.036 6.792 7.471 8.089 8.661 9.197 9.708 10.204 10.697 11.198 11.713 12.251 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.059 4.173 5.148 6.003 6.759 7.438 8.056 8.627 9.161 9.670 10.161 10.646 11.134 11.637 12.204 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.024 4.139 5.115 5.970 6.727 7.406 8.024 8.594 9.127 9.632 10.120 10.597 11.073 11.560 12.116 8.544 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.991 4.105 5.081 5.937 6.695 7.374 7.992 8.561 9.093 9.596 10.079 10.549 11.014 11.484 12.015 10.924 9.912 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.957 4.071 5.048 5.905 6.664 7.343 7.961 8.529 9.059 9.560 10.040 10.504 10.958 11.412 11.913 11.473 11.124 10.495 9.586 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.924 4.037 5.016 5.873 6.632 7.312 7.929 8.497 9.026 9.525 10.001 10.459 10.905 11.344 11.816 11.701 11.561 11.293 10.859 10.271 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.891 4.004 4.983 5.842 6.601 7.282 7.899 8.466 8.994 9.491 9.964 10.417 10.854 11.279 11.724 11.815 11.769 11.652 11.443 11.128 10.719 10.268 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.859 3.971 4.951 5.810 6.571 7.252 7.869 8.435 8.962 9.457 9.927 10.376 10.805 11.219 11.640 11.875 11.879 11.840 11.744 11.581 11.346 11.048 10.718 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.827 3.939 4.919 5.779 6.541 7.222 7.839 8.405 8.931 9.424 9.892 10.336 10.760 11.164 11.564 11.904 11.940 11.945 11.914 11.837 11.710 11.531 11.308 11.059 10.807 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.795 3.906 4.888 5.749 6.511 7.192 7.809 8.375 8.900 9.392 9.857 10.298 10.716 11.112 11.496 11.915 11.972 12.006 12.014 11.990 11.930 11.831 11.694 11.524 11.333 11.133 10.939 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.763 3.874 4.856 5.718 6.481 7.163 7.780 8.345 8.869 9.360 9.823 10.261 10.675 11.065 11.435 11.914 11.985 12.039 12.073 12.083 12.067 12.022 11.946 11.841 11.709 11.560 11.400 11.238 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.732 3.843 4.825 5.688 6.451 7.134 7.751 8.316 8.839 9.329 9.790 10.226 10.636 11.021 11.382 11.905 11.986 12.054 12.106 12.140 12.154 12.146 12.113 12.056 11.975 11.873 11.754 11.625 11.488 11.349 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.701 3.811 4.794 5.658 6.422 7.105 7.722 8.287 8.809 9.298 9.758 10.191 10.599 10.980 11.335 11.890 11.979 12.057 12.122 12.174 12.209 12.226 12.225 12.203 12.160 12.098 12.019 11.924 11.818 11.703 11.582 99999.999 99999.999 99999.999 99999.999 99999.999 2.670 3.780 4.764 5.629 6.393 7.077 7.694 8.258 8.780 9.268 9.726 10.158 10.564 10.943 11.294 11.871 11.966 12.051 12.127 12.190 12.241 12.278 12.299 12.303 12.290 12.260 12.214 12.152 12.076 11.989 11.891 11.785 11.670 99999.999 99999.999 99999.999 2.639 3.749 4.734 5.599 6.365 7.048 7.666 8.230 8.751 9.238 9.695 10.125 10.529 10.907 11.256 11.849 11.948 12.040 12.123 12.196 12.258 12.309 12.347 12.371 12.381 12.376 12.356 12.322 12.274 12.213 12.141 12.058 11.965 11.863 99999.999 99999.999 2.609 3.718 4.703 5.570 6.336 7.020 7.638 8.202 8.723 9.208 9.664 10.093 10.496 10.873 11.222 11.825 11.928 12.024 12.112 12.193 12.264 12.326 12.377 12.416 12.443 12.458 12.460 12.448 12.424 12.387 12.339 12.279 12.209 12.128 12.037 11.936 2.579 3.687 4.674 5.541 6.308 6.993 7.611 8.174 8.695 9.179 9.634 10.062 10.464 10.840 11.190 11.799 11.905 12.004 12.098 12.183 12.262 12.332 12.393 12.444 12.485 12.515 12.534 12.541 12.537 12.521 12.494 12.455 12.406 12.347 12.277 12.196 2.288 3.393 4.386 5.263 6.038 6.728 7.349 7.912 8.429 8.907 9.353 9.771 10.164 10.533 10.880 11.509 11.625 11.737 11.847 11.954 12.057 12.157 12.254 12.348 12.439 12.527 12.611 12.691 12.768 12.841 12.910 12.975 13.036 13.093 13.145 13.193 2.015 3.115 4.116 5.001 5.785 6.481 7.106 7.671 8.187 8.661 9.102 9.512 9.898 10.259 10.600 11.222 11.338 11.451 11.562 11.670 11.777 11.881 11.983 12.082 12.180 12.276 12.370 12.463 12.553 12.642 12.729 12.815 12.898 12.981 13.061 13.140 1.757 2.851 3.859 4.753 5.545 6.248 6.878 7.446 7.963 8.436 8.872 9.278 9.657 10.013 10.346 10.958 11.072 11.183 11.293 11.400 11.505 11.608 11.709 11.809 11.907 12.003 12.097 12.191 12.283 12.374 12.463 12.552 12.640 12.726 12.812 12.897 1.508 2.599 3.613 4.516 5.316 6.027 6.662 7.234 7.752 8.225 8.660 9.063 9.437 9.787 10.116 10.716 10.828 10.937 11.045 11.150 11.253 11.354 11.454 11.551 11.647 11.742 11.835 11.927 12.017 12.107 12.195 12.283 12.370 12.456 12.541 12.626 1.269 2.354 3.376 4.288 5.096 5.814 6.455 7.031 7.553 8.027 8.461 8.862 9.233 9.579 9.903 10.494 10.604 10.711 10.817 10.920 11.021 11.120 11.218 11.313 11.407 11.500 11.591 11.680 11.769 11.857 11.943 12.028 12.113 12.197 12.280 12.363 1.036 2.117 3.146 4.066 4.883 5.609 6.256 6.837 7.362 7.838 8.273 8.673 9.042 9.386 9.706 10.288 10.397 10.503 10.606 10.708 10.807 10.904 11.000 11.093 11.185 11.276 11.365 11.453 11.539 11.625 11.709 11.792 11.875 11.957 12.037 12.118 0.809 1.886 2.922 3.851 4.676 5.409 6.063 6.650 7.178 7.657 8.094 8.494 8.862 9.204 9.521 10.097 10.204 10.308 10.411 10.510 10.608 10.704 10.798 10.890 10.980 11.069 11.156 11.242 11.327 11.410 11.493 11.574 11.655 11.734 11.813 11.892 99999.999 1.659 2.703 3.642 4.475 5.216 5.876 6.468 7.001 7.483 7.921 8.322 8.691 9.031 9.347 9.918 10.024 10.127 10.228 10.326 10.423 10.517 10.610 10.700 10.789 10.877 10.962 11.047 11.130 11.212 11.293 11.373 11.451 11.529 11.606 11.683 AuCl,aq AuCl(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 2 1.000 3 1.000 19 -8.618 -7.920 -7.359 -6.901 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.618 -7.920 -7.359 -6.901 -6.525 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.618 -7.920 -7.359 -6.901 -6.524 -6.216 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 2 2.000 3 1.000 19 -10.435 -9.546 -8.845 -8.282 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.435 -9.546 -8.845 -8.282 -7.828 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.435 -9.545 -8.844 -8.281 -7.828 -7.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-6.368 -6.334 -6.350 -6.422 -6.577 -6.877 -7.015 -7.188 -7.408 -7.694 -8.070 -8.555 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.247 -9.365 -8.668 -8.106 -7.649 -7.278 -6.979 -6.742 -6.560 -6.427 -6.342 -6.302 -6.309 -6.367 -6.496 -6.770 -6.886 -7.025 -7.194 -7.402 -7.660 -7.982 -8.376 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.233 -9.351 -8.654 -8.092 -7.635 -7.264 -6.963 -6.725 -6.541 -6.406 -6.317 -6.272 -6.271 -6.316 -6.422 -6.679 -6.779 -6.896 -7.034 -7.199 -7.396 -7.633 -7.916 -8.250 -8.633 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.220 -9.338 -8.641 -8.078 -7.621 -7.249 -6.948 -6.708 -6.522 -6.385 -6.293 -6.243 -6.234 -6.269 -6.357 -6.598 -6.685 -6.787 -6.905 -7.042 -7.202 -7.390 -7.609 -7.862 -8.153 -8.477 -8.831 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-6.114 -6.155 -6.339 -6.396 -6.462 -6.536 -6.620 -6.713 -6.817 -6.932 -7.060 -7.200 -7.354 -7.520 -7.699 -7.889 -8.088 -8.294 -8.503 -8.714 99999.999 99999.999 99999.999 -10.160 -9.275 -8.577 -8.014 -7.556 -7.181 -6.876 -6.630 -6.436 -6.289 -6.183 -6.115 -6.082 -6.082 -6.115 -6.285 -6.338 -6.398 -6.465 -6.541 -6.625 -6.719 -6.822 -6.936 -7.060 -7.195 -7.341 -7.498 -7.663 -7.837 -8.018 -8.203 -8.390 -8.577 99999.999 99999.999 -10.150 -9.264 -8.565 -8.002 -7.543 -7.168 -6.862 -6.615 -6.420 -6.271 -6.163 -6.092 -6.055 -6.051 -6.079 -6.234 -6.283 -6.338 -6.400 -6.469 -6.546 -6.631 -6.725 -6.827 -6.938 -7.059 -7.189 -7.328 -7.475 -7.629 -7.789 -7.954 -8.121 -8.289 -8.456 -8.620 -10.140 -9.252 -8.554 -7.990 -7.531 -7.155 -6.849 -6.601 -6.404 -6.253 -6.143 -6.069 -6.030 -6.022 -6.045 -6.186 -6.231 -6.281 -6.338 -6.402 -6.473 -6.551 -6.636 -6.729 -6.830 -6.939 -7.056 -7.181 -7.313 -7.451 -7.595 -7.743 -7.894 -8.047 -8.199 -8.350 -10.058 -9.155 -8.451 -7.884 -7.421 -7.041 -6.728 -6.471 -6.263 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=-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 2 3.000 3 1.000 19 -10.281 -9.290 -8.518 -7.905 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.281 -9.290 -8.518 -7.905 -7.416 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.281 -9.289 -8.517 -7.904 -7.415 -7.028 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 6 2.250 1 -1.000 2 -0.250 6 1.000 19 0.250 4 4.000 3 29.760 29.096 28.322 27.506 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.760 29.096 28.322 27.506 26.671 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.759 29.094 28.320 27.505 26.670 25.821 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.640 28.972 28.205 27.399 26.574 25.738 24.889 24.025 23.138 22.214 21.230 20.145 18.881 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.591 28.922 28.157 27.355 26.534 25.703 24.860 24.002 23.123 22.209 21.239 20.177 18.958 17.421 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.527 28.857 28.095 27.298 26.483 25.658 24.822 23.972 23.102 22.200 21.248 20.214 19.045 17.619 15.452 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.477 28.806 28.048 27.254 26.443 25.622 24.792 23.948 23.085 22.192 21.253 20.239 19.104 17.748 15.835 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.405 28.734 27.979 27.190 26.386 25.572 24.749 23.913 23.060 22.180 21.258 20.271 19.180 17.907 16.219 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.333 28.661 27.910 27.127 26.329 25.521 24.705 23.878 23.034 22.166 21.260 20.297 19.245 18.042 16.512 10.364 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.260 28.588 27.842 27.064 26.272 25.471 24.662 23.842 23.008 22.151 21.260 20.320 19.302 18.158 16.751 13.285 11.403 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.188 28.516 27.773 27.001 26.215 25.420 24.618 23.806 22.981 22.134 21.258 20.338 19.351 18.258 16.952 14.097 13.036 11.566 9.439 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.115 28.443 27.705 26.938 26.158 25.369 24.574 23.770 22.953 22.117 21.254 20.353 19.394 18.345 17.124 14.557 13.753 12.771 11.519 9.890 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.042 28.371 27.637 26.875 26.101 25.319 24.530 23.733 22.924 22.099 21.248 20.364 19.430 18.421 17.271 14.876 14.199 13.421 12.501 11.390 10.036 8.415 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.969 28.298 27.569 26.812 26.044 25.268 24.486 23.696 22.896 22.079 21.241 20.372 19.461 18.486 17.397 15.120 14.519 13.853 13.099 12.233 11.224 10.047 8.693 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.896 28.226 27.500 26.750 25.987 25.217 24.442 23.659 22.866 22.059 21.232 20.378 19.487 18.542 17.505 15.316 14.768 14.173 13.518 12.789 11.969 11.040 9.990 8.816 7.531 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.823 28.153 27.432 26.687 25.930 25.166 24.397 23.621 22.836 22.038 21.222 20.381 19.509 18.590 17.597 15.480 14.971 14.426 13.837 13.195 12.490 11.711 10.848 9.895 8.852 7.732 6.551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.749 28.081 27.364 26.624 25.873 25.115 24.352 23.584 22.806 22.016 21.210 20.382 19.526 18.631 17.675 15.619 15.141 14.633 14.092 13.511 12.884 12.203 11.461 10.653 9.778 8.837 7.840 6.801 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.675 28.008 27.296 26.562 25.816 25.064 24.308 23.545 22.775 21.993 21.197 20.381 19.540 18.666 17.740 15.741 15.286 14.808 14.304 13.768 13.196 12.584 11.926 11.219 10.459 9.648 8.790 7.890 6.961 6.013 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.601 27.936 27.229 26.499 25.759 25.013 24.263 23.507 22.744 21.970 21.183 20.378 19.551 18.694 17.795 15.847 15.413 14.959 14.483 13.983 13.453 12.892 12.295 11.660 10.984 10.268 9.512 8.721 7.901 7.059 6.207 99999.999 99999.999 99999.999 99999.999 99999.999 28.527 27.864 27.161 26.437 25.703 24.962 24.218 23.469 22.712 21.946 21.168 20.373 19.559 18.718 17.841 15.942 15.525 15.091 14.639 14.166 13.670 13.148 12.598 12.017 11.404 10.759 10.081 9.373 8.639 7.884 7.116 6.341 5.567 99999.999 99999.999 99999.999 28.453 27.791 27.093 26.375 25.646 24.911 24.173 23.430 22.681 21.922 21.152 20.367 19.564 18.738 17.880 16.027 15.624 15.208 14.776 14.326 13.857 13.366 12.853 12.315 11.750 11.159 10.541 9.898 9.232 8.548 7.849 7.141 6.430 5.723 99999.999 99999.999 28.378 27.719 27.025 26.312 25.589 24.861 24.128 23.391 22.648 21.897 21.135 20.360 19.567 18.754 17.912 16.103 15.714 15.312 14.897 14.467 14.020 13.556 13.072 12.567 12.041 11.493 10.923 10.332 9.721 9.092 8.451 7.799 7.143 6.488 5.837 5.196 28.304 27.646 26.958 26.250 25.533 24.810 24.083 23.352 22.616 21.872 21.118 20.351 19.569 18.767 17.940 16.173 15.794 15.406 15.005 14.592 14.164 13.722 13.263 12.786 12.292 11.778 11.247 10.697 10.130 9.548 8.954 8.350 7.740 7.129 6.520 5.917 27.548 26.922 26.284 25.630 24.967 24.299 23.627 22.953 22.277 21.597 20.911 20.220 19.521 18.813 18.095 16.613 16.308 15.998 15.685 15.367 15.045 14.718 14.386 14.049 13.706 13.358 13.005 12.646 12.282 11.913 11.539 11.161 10.780 10.395 10.008 9.619 26.779 26.197 25.613 25.014 24.404 23.788 23.167 22.544 21.919 21.293 20.664 20.033 19.397 18.758 18.114 16.806 16.541 16.273 16.004 15.733 15.460 15.185 14.908 14.629 14.347 14.062 13.776 13.487 13.195 12.901 12.605 12.307 12.007 11.705 11.402 11.097 25.999 25.470 24.944 24.400 23.843 23.276 22.703 22.127 21.550 20.971 20.391 19.810 19.227 18.642 18.056 16.875 16.637 16.398 16.158 15.918 15.677 15.434 15.191 14.946 14.700 14.453 14.205 13.956 13.705 13.453 13.199 12.945 12.689 12.432 12.175 11.916 25.210 24.742 24.276 23.788 23.283 22.764 22.237 21.705 21.171 20.635 20.099 19.562 19.024 18.486 17.947 16.867 16.650 16.433 16.216 15.998 15.780 15.562 15.342 15.123 14.902 14.681 14.459 14.237 14.013 13.789 13.565 13.339 13.113 12.886 12.658 12.430 24.414 24.013 23.608 23.177 22.723 22.252 21.769 21.280 20.786 20.290 19.793 19.295 18.798 18.300 17.803 16.808 16.609 16.409 16.210 16.011 15.811 15.611 15.411 15.210 15.009 14.808 14.606 14.404 14.201 13.998 13.794 13.590 13.385 13.180 12.974 12.768 23.614 23.284 22.941 22.567 22.164 21.739 21.300 20.851 20.395 19.937 19.476 19.015 18.554 18.093 17.632 16.711 16.527 16.343 16.159 15.974 15.790 15.605 15.421 15.236 15.051 14.866 14.680 14.494 14.308 14.121 13.934 13.747 13.559 13.370 13.182 12.992 22.809 22.554 22.275 21.957 21.604 21.226 20.829 20.419 20.001 19.578 19.152 18.725 18.297 17.869 17.441 16.586 16.415 16.244 16.073 15.902 15.731 15.560 15.388 15.217 15.045 14.873 14.701 14.529 14.356 14.183 14.010 13.836 13.662 13.487 13.312 13.137 99999.999 21.825 21.610 21.347 21.045 20.713 20.357 19.985 19.603 19.214 18.821 18.425 18.028 17.631 17.234 16.438 16.279 16.120 15.961 15.801 15.642 15.483 15.323 15.163 15.003 14.843 14.683 14.522 14.361 14.200 14.038 13.876 13.713 13.550 13.387 13.223 AuCl4- AuCl4(-1) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 5 2.000 1 -1.000 2 0.500 31 1.000 19 4.000 3 -8.264 -5.483 -3.288 -1.522 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.264 -5.483 -3.288 -1.522 -0.091 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.267 -5.486 -3.290 -1.524 -0.093 1.067 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.271 -5.490 -3.294 -1.528 -0.096 1.064 1.998 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.278 -5.497 -3.301 -1.534 -0.102 1.059 1.993 2.732 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.289 -5.509 -3.312 -1.544 -0.112 1.050 1.986 2.726 3.291 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.307 -5.526 -3.328 -1.560 -0.126 1.038 1.975 2.717 3.284 3.686 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.331 -5.551 -3.352 -1.582 -0.146 1.020 1.959 2.704 3.274 3.680 3.916 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.365 -5.586 -3.385 -1.612 -0.173 0.995 1.938 2.686 3.261 3.672 3.916 3.969 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.411 -5.632 -3.429 -1.653 -0.210 0.962 1.909 2.662 3.242 3.661 3.916 3.986 3.818 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.471 -5.693 -3.486 -1.706 -0.259 0.918 1.870 2.630 3.217 3.646 3.913 4.005 3.876 3.400 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.549 -5.771 -3.560 -1.775 -0.322 0.862 1.821 2.588 3.185 3.624 3.908 4.025 3.939 3.560 2.485 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.610 -5.832 -3.618 -1.828 -0.370 0.818 1.783 2.556 3.159 3.607 3.903 4.037 3.982 3.663 2.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.697 -5.919 -3.700 -1.904 -0.440 0.755 1.727 2.509 3.122 3.582 3.893 4.052 4.035 3.788 3.117 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.784 -6.006 -3.783 -1.980 -0.510 0.693 1.672 2.461 3.084 3.555 3.881 4.061 4.080 3.893 3.358 -0.305 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.872 -6.093 -3.865 -2.057 -0.579 0.630 1.617 2.414 3.045 3.527 3.867 4.068 4.117 3.982 3.555 2.080 0.777 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.959 -6.180 -3.947 -2.132 -0.649 0.567 1.561 2.366 3.006 3.498 3.852 4.070 4.147 4.058 3.719 2.736 2.108 1.134 -0.402 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.047 -6.266 -4.028 -2.208 -0.718 0.505 1.506 2.318 2.966 3.468 3.834 4.070 4.172 4.122 3.857 3.105 2.688 2.117 1.314 0.186 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.135 -6.353 -4.110 -2.284 -0.787 0.442 1.450 2.270 2.926 3.437 3.815 4.067 4.191 4.177 3.974 3.360 3.047 2.644 2.117 1.423 0.516 -0.625 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.223 -6.439 -4.191 -2.359 -0.856 0.380 1.394 2.221 2.886 3.406 3.795 4.061 4.206 4.222 4.073 3.553 3.304 2.992 2.602 2.112 1.495 0.731 -0.193 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.311 -6.526 -4.273 -2.434 -0.925 0.317 1.339 2.173 2.845 3.374 3.774 4.053 4.216 4.259 4.156 3.708 3.502 3.249 2.941 2.564 2.105 1.549 0.883 0.106 -0.773 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.400 -6.612 -4.354 -2.509 -0.994 0.255 1.283 2.124 2.804 3.341 3.751 4.043 4.223 4.289 4.226 3.835 3.661 3.451 3.197 2.893 2.530 2.098 1.590 1.001 0.329 -0.416 -1.219 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.488 -6.699 -4.435 -2.584 -1.062 0.193 1.227 2.075 2.762 3.308 3.727 4.031 4.226 4.313 4.283 3.943 3.794 3.615 3.401 3.147 2.849 2.499 2.093 1.626 1.096 0.505 -0.140 -0.828 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.577 -6.785 -4.516 -2.659 -1.131 0.130 1.171 2.026 2.720 3.274 3.703 4.017 4.226 4.332 4.329 4.035 3.907 3.752 3.569 3.353 3.101 2.809 2.473 2.090 1.657 1.176 0.649 0.082 -0.516 -1.135 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.665 -6.871 -4.596 -2.734 -1.199 0.068 1.116 1.977 2.678 3.240 3.677 4.002 4.223 4.345 4.366 4.116 4.004 3.870 3.710 3.524 3.307 3.057 2.773 2.450 2.088 1.687 1.247 0.772 0.268 -0.259 -0.801 99999.999 99999.999 99999.999 99999.999 99999.999 -9.754 -6.957 -4.677 -2.808 -1.268 0.006 1.060 1.928 2.636 3.205 3.651 3.985 4.218 4.354 4.394 4.186 4.089 3.972 3.832 3.669 3.480 3.263 3.018 2.741 2.432 2.090 1.716 1.311 0.880 0.427 -0.043 -0.522 -1.005 99999.999 99999.999 99999.999 -9.843 -7.043 -4.758 -2.883 -1.336 -0.056 1.004 1.878 2.593 3.170 3.623 3.967 4.210 4.359 4.416 4.248 4.164 4.061 3.938 3.794 3.628 3.438 3.223 2.982 2.713 2.417 2.093 1.744 1.371 0.977 0.567 0.145 -0.283 -0.713 99999.999 99999.999 -9.932 -7.129 -4.838 -2.957 -1.404 -0.118 0.948 1.829 2.550 3.134 3.596 3.948 4.201 4.362 4.433 4.303 4.230 4.140 4.031 3.904 3.757 3.588 3.398 3.185 2.949 2.689 2.406 2.100 1.773 1.427 1.065 0.692 0.310 -0.076 -0.461 -0.841 -10.022 -7.215 -4.918 -3.031 -1.472 -0.180 0.892 1.779 2.507 3.098 3.567 3.928 4.190 4.362 4.446 4.352 4.289 4.210 4.114 4.001 3.870 3.720 3.550 3.361 3.151 2.921 2.669 2.399 2.109 1.802 1.481 1.147 0.805 0.457 0.108 -0.240 -10.921 -8.073 -5.716 -3.768 -2.148 -0.797 0.333 1.279 2.068 2.722 3.258 3.691 4.031 4.290 4.472 4.631 4.631 4.621 4.601 4.570 4.529 4.478 4.417 4.346 4.266 4.175 4.075 3.966 3.848 3.721 3.586 3.443 3.293 3.137 2.975 2.808 -11.831 -8.927 -6.507 -4.496 -2.817 -1.410 -0.225 0.774 1.617 2.325 2.917 3.408 3.810 4.133 4.385 4.702 4.738 4.766 4.785 4.795 4.798 4.793 4.780 4.760 4.732 4.697 4.655 4.606 4.550 4.488 4.420 4.345 4.266 4.180 4.090 3.994 -12.750 -9.779 -7.292 -5.218 -3.481 -2.019 -0.782 0.267 1.158 1.915 2.557 3.097 3.550 3.926 4.233 4.668 4.730 4.783 4.829 4.868 4.899 4.923 4.941 4.952 4.956 4.954 4.946 4.932 4.913 4.887 4.857 4.821 4.780 4.734 4.683 4.628 -13.676 -10.630 -8.073 -5.936 -4.141 -2.625 -1.339 -0.242 0.695 1.496 2.182 2.767 3.265 3.686 4.039 4.570 4.652 4.726 4.792 4.852 4.905 4.951 4.991 5.024 5.052 5.073 5.089 5.100 5.105 5.105 5.100 5.090 5.075 5.055 5.032 5.004 -14.606 -11.480 -8.851 -6.650 -4.797 -3.229 -1.894 -0.752 0.228 1.071 1.798 2.424 2.962 3.423 3.816 4.429 4.528 4.618 4.702 4.779 4.849 4.912 4.970 5.021 5.067 5.107 5.141 5.170 5.194 5.213 5.227 5.237 5.242 5.242 5.238 5.230 -15.541 -12.328 -9.627 -7.361 -5.451 -3.831 -2.449 -1.263 -0.242 0.641 1.406 2.069 2.644 3.142 3.572 4.257 4.370 4.475 4.573 4.664 4.749 4.827 4.900 4.966 5.026 5.081 5.131 5.175 5.215 5.249 5.279 5.303 5.324 5.340 5.352 5.359 -16.478 -13.176 -10.400 -8.070 -6.103 -4.432 -3.003 -1.775 -0.713 0.207 1.008 1.707 2.316 2.847 3.310 4.061 4.187 4.305 4.416 4.520 4.617 4.708 4.793 4.873 4.946 5.014 5.076 5.133 5.185 5.233 5.275 5.313 5.346 5.375 5.400 5.420 99999.999 -14.022 -11.171 -8.777 -6.753 -5.031 -3.557 -2.286 -1.186 -0.229 0.607 1.338 1.979 2.542 3.036 3.846 3.984 4.113 4.236 4.352 4.461 4.563 4.660 4.750 4.835 4.914 4.987 5.056 5.119 5.177 5.231 5.280 5.324 5.364 5.399 5.430 AuOH,aq AuOH(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 1.000 Ref: Shock07 3 -1.000 1 1.000 19 1.000 2 -8.145 -7.203 -6.350 -5.577 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.145 -7.203 -6.350 -5.577 -4.873 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.146 -7.203 -6.350 -5.577 -4.873 -4.228 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.146 -7.204 -6.351 -5.578 -4.874 -4.228 -3.634 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.147 -7.205 -6.352 -5.579 -4.874 -4.229 -3.634 -3.083 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.149 -7.206 -6.353 -5.580 -4.876 -4.230 -3.635 -3.084 -2.570 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.152 -7.208 -6.355 -5.582 -4.878 -4.232 -3.637 -3.086 -2.572 -2.091 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.155 -7.212 -6.358 -5.585 -4.880 -4.235 -3.640 -3.088 -2.575 -2.094 -1.641 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.160 -7.216 -6.363 -5.589 -4.884 -4.239 -3.643 -3.092 -2.578 -2.097 -1.644 -1.216 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.167 -7.223 -6.368 -5.594 -4.889 -4.243 -3.648 -3.096 -2.583 -2.102 -1.649 -1.221 -0.811 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.176 -7.231 -6.376 -5.601 -4.896 -4.250 -3.654 -3.103 -2.589 -2.108 -1.655 -1.227 -0.818 -0.420 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.188 -7.241 -6.386 -5.611 -4.905 -4.258 -3.662 -3.110 -2.596 -2.115 -1.663 -1.235 -0.828 -0.433 -0.025 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.197 -7.250 -6.393 -5.618 -4.912 -4.265 -3.669 -3.116 -2.602 -2.121 -1.669 -1.241 -0.834 -0.442 -0.051 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.210 -7.261 -6.404 -5.628 -4.921 -4.274 -3.678 -3.125 -2.611 -2.130 -1.677 -1.250 -0.844 -0.454 -0.073 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.223 -7.273 -6.415 -5.638 -4.931 -4.283 -3.687 -3.134 -2.619 -2.138 -1.686 -1.259 -0.853 -0.464 -0.088 1.035 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.236 -7.285 -6.426 -5.648 -4.941 -4.293 -3.696 -3.143 -2.628 -2.147 -1.694 -1.267 -0.862 -0.474 -0.100 0.778 1.035 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.249 -7.297 -6.437 -5.659 -4.950 -4.302 -3.704 -3.151 -2.637 -2.155 -1.703 -1.276 -0.870 -0.483 -0.111 0.699 0.888 1.105 1.353 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.262 -7.308 -6.448 -5.669 -4.960 -4.311 -3.713 -3.160 -2.645 -2.164 -1.711 -1.284 -0.879 -0.492 -0.121 0.655 0.821 0.999 1.194 1.405 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.275 -7.320 -6.458 -5.679 -4.970 -4.320 -3.722 -3.169 -2.654 -2.172 -1.720 -1.293 -0.887 -0.501 -0.131 0.624 0.779 0.940 1.109 1.289 1.479 1.675 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.288 -7.332 -6.469 -5.689 -4.979 -4.330 -3.731 -3.177 -2.662 -2.180 -1.728 -1.301 -0.896 -0.510 -0.140 0.599 0.748 0.899 1.056 1.218 1.387 1.562 1.742 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.301 -7.344 -6.480 -5.699 -4.989 -4.339 -3.740 -3.186 -2.670 -2.189 -1.736 -1.309 -0.904 -0.518 -0.149 0.579 0.723 0.869 1.017 1.169 1.325 1.486 1.650 1.817 1.984 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.314 -7.355 -6.491 -5.710 -4.999 -4.348 -3.749 -3.195 -2.679 -2.197 -1.744 -1.317 -0.913 -0.527 -0.158 0.561 0.702 0.844 0.987 1.133 1.280 1.431 1.584 1.740 1.898 2.055 2.211 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.327 -7.367 -6.502 -5.720 -5.008 -4.357 -3.758 -3.203 -2.687 -2.205 -1.753 -1.326 -0.921 -0.536 -0.167 0.545 0.684 0.823 0.963 1.103 1.245 1.389 1.535 1.682 1.831 1.981 2.131 2.279 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.340 -7.379 -6.513 -5.730 -5.018 -4.367 -3.767 -3.212 -2.696 -2.213 -1.761 -1.334 -0.929 -0.544 -0.175 0.531 0.668 0.805 0.942 1.079 1.217 1.356 1.496 1.637 1.779 1.922 2.066 2.209 2.351 2.491 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.353 -7.391 -6.524 -5.740 -5.028 -4.376 -3.776 -3.221 -2.704 -2.222 -1.769 -1.342 -0.938 -0.553 -0.184 0.517 0.653 0.789 0.923 1.058 1.193 1.328 1.464 1.600 1.737 1.875 2.013 2.151 2.289 2.425 2.560 99999.999 99999.999 99999.999 99999.999 99999.999 -8.366 -7.402 -6.535 -5.750 -5.037 -4.385 -3.785 -3.229 -2.712 -2.230 -1.777 -1.350 -0.946 -0.561 -0.193 0.505 0.640 0.774 0.907 1.039 1.172 1.304 1.437 1.569 1.702 1.836 1.969 2.103 2.236 2.369 2.501 2.631 2.760 99999.999 99999.999 99999.999 -8.379 -7.414 -6.545 -5.761 -5.047 -4.394 -3.794 -3.238 -2.721 -2.238 -1.785 -1.358 -0.954 -0.570 -0.202 0.493 0.627 0.760 0.892 1.023 1.153 1.283 1.413 1.543 1.673 1.803 1.933 2.062 2.192 2.321 2.450 2.577 2.703 2.828 99999.999 99999.999 -8.392 -7.426 -6.556 -5.771 -5.057 -4.403 -3.802 -3.246 -2.729 -2.246 -1.793 -1.366 -0.962 -0.578 -0.211 0.481 0.615 0.747 0.878 1.007 1.136 1.265 1.393 1.520 1.647 1.774 1.901 2.028 2.154 2.280 2.406 2.530 2.654 2.776 2.898 3.017 -8.405 -7.438 -6.567 -5.781 -5.066 -4.413 -3.811 -3.255 -2.738 -2.254 -1.801 -1.374 -0.971 -0.587 -0.220 0.471 0.603 0.734 0.864 0.993 1.121 1.248 1.374 1.500 1.625 1.749 1.874 1.998 2.121 2.245 2.367 2.489 2.610 2.730 2.849 2.967 -8.533 -7.554 -6.675 -5.882 -5.162 -4.504 -3.899 -3.340 -2.820 -2.335 -1.881 -1.453 -1.049 -0.667 -0.303 0.378 0.507 0.634 0.760 0.883 1.005 1.126 1.244 1.362 1.477 1.592 1.705 1.817 1.928 2.037 2.146 2.253 2.359 2.464 2.569 2.672 -8.661 -7.670 -6.783 -5.983 -5.258 -4.595 -3.986 -3.424 -2.901 -2.414 -1.958 -1.529 -1.125 -0.742 -0.378 0.298 0.427 0.553 0.677 0.799 0.919 1.037 1.154 1.269 1.382 1.493 1.603 1.712 1.819 1.924 2.028 2.131 2.233 2.333 2.432 2.530 -8.788 -7.786 -6.890 -6.083 -5.352 -4.685 -4.073 -3.507 -2.982 -2.492 -2.034 -1.604 -1.198 -0.814 -0.450 0.226 0.354 0.479 0.603 0.724 0.844 0.961 1.077 1.191 1.303 1.413 1.522 1.629 1.734 1.838 1.941 2.042 2.142 2.240 2.338 2.433 -8.913 -7.900 -6.996 -6.183 -5.446 -4.775 -4.158 -3.589 -3.061 -2.569 -2.109 -1.677 -1.269 -0.885 -0.520 0.157 0.285 0.410 0.534 0.655 0.774 0.891 1.007 1.120 1.232 1.342 1.450 1.556 1.661 1.765 1.867 1.967 2.066 2.164 2.260 2.355 -9.038 -8.013 -7.101 -6.281 -5.539 -4.863 -4.243 -3.670 -3.139 -2.645 -2.182 -1.748 -1.339 -0.953 -0.587 0.091 0.219 0.345 0.468 0.589 0.709 0.826 0.941 1.054 1.166 1.275 1.383 1.490 1.594 1.698 1.799 1.899 1.998 2.095 2.191 2.285 -9.162 -8.126 -7.205 -6.379 -5.632 -4.951 -4.326 -3.750 -3.217 -2.720 -2.255 -1.819 -1.408 -1.021 -0.654 0.027 0.155 0.281 0.405 0.526 0.645 0.763 0.878 0.992 1.103 1.213 1.321 1.427 1.532 1.635 1.736 1.836 1.935 2.032 2.128 2.222 -9.286 -8.238 -7.309 -6.476 -5.723 -5.038 -4.409 -3.830 -3.293 -2.793 -2.326 -1.888 -1.476 -1.087 -0.718 -0.036 0.093 0.219 0.343 0.465 0.584 0.702 0.817 0.931 1.043 1.153 1.261 1.367 1.472 1.575 1.677 1.777 1.875 1.972 2.068 2.162 99999.999 -8.349 -7.411 -6.572 -5.814 -5.124 -4.491 -3.909 -3.369 -2.866 -2.397 -1.957 -1.543 -1.152 -0.782 -0.097 0.032 0.159 0.283 0.405 0.525 0.643 0.759 0.872 0.984 1.094 1.203 1.309 1.414 1.518 1.619 1.719 1.818 1.915 2.011 2.106 AuHS,aq Au(HS)(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 2 1.000 19 1.000 6 -26.769 -24.433 -22.519 -20.925 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.769 -24.433 -22.519 -20.925 -19.584 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.768 -24.433 -22.518 -20.924 -19.583 -18.447 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.766 -24.431 -22.517 -20.923 -19.582 -18.445 -17.480 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.764 -24.429 -22.515 -20.921 -19.579 -18.443 -17.477 -16.656 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.760 -24.425 -22.511 -20.917 -19.576 -18.440 -17.474 -16.653 -15.958 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.753 -24.419 -22.505 -20.912 -19.571 -18.434 -17.468 -16.647 -15.951 -15.370 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.744 -24.411 -22.497 -20.904 -19.563 -18.427 -17.461 -16.639 -15.943 -15.361 -14.888 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.732 -24.399 -22.487 -20.894 -19.553 -18.416 -17.450 -16.628 -15.931 -15.347 -14.872 -14.509 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 1.000 1 -2.000 31 1.000 19 1.000 4 125.330 113.884 103.920 95.189 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 125.330 113.884 103.920 95.189 87.465 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 125.333 113.886 103.922 95.191 87.467 80.571 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 125.488 114.034 104.063 95.326 87.598 80.700 74.487 68.842 63.669 58.884 54.407 50.154 46.015 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 125.552 114.094 104.120 95.381 87.652 80.753 74.540 68.896 63.726 58.946 54.478 50.242 46.140 41.990 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 125.633 114.172 104.194 95.452 87.720 80.820 74.607 68.965 63.798 59.024 54.567 50.352 46.291 42.239 37.718 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 125.696 114.232 104.251 95.506 87.773 80.872 74.659 69.018 63.853 59.083 54.634 50.434 46.400 42.408 38.125 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 125.786 114.317 104.333 95.584 87.848 80.946 74.733 69.093 63.931 59.167 54.729 50.547 46.547 42.626 38.548 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 125.875 114.402 104.413 95.661 87.923 81.019 74.805 69.166 64.007 59.249 54.820 50.655 46.685 42.822 38.883 28.401 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 125.964 114.486 104.493 95.737 87.997 81.091 74.877 69.239 64.083 59.329 54.909 50.759 46.815 43.000 39.167 31.260 28.635 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.052 114.569 104.572 95.813 88.070 81.163 74.948 69.311 64.157 59.407 54.995 50.858 46.938 43.164 39.416 32.111 30.266 28.060 25.288 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.139 114.652 104.650 95.888 88.142 81.233 75.018 69.382 64.230 59.484 55.079 50.954 47.054 43.315 39.637 32.617 31.019 29.275 27.301 25.011 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.225 114.734 104.728 95.962 88.214 81.303 75.088 69.452 64.301 59.560 55.161 51.047 47.165 43.456 39.837 32.986 31.509 29.959 28.298 26.481 24.466 22.240 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.311 114.815 104.805 96.036 88.285 81.373 75.156 69.521 64.372 59.634 55.241 51.137 47.270 43.588 40.018 33.281 31.877 30.433 28.928 27.339 25.640 23.810 21.845 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.396 114.896 104.881 96.109 88.355 81.441 75.224 69.589 64.442 59.707 55.319 51.224 47.371 43.711 40.183 33.531 32.175 30.798 29.387 27.927 26.402 24.798 23.104 21.322 19.463 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.481 114.976 104.957 96.181 88.425 81.509 75.291 69.656 64.511 59.778 55.395 51.308 47.467 43.827 40.334 33.748 32.429 31.098 29.749 28.370 26.953 25.487 23.964 22.378 20.732 19.038 17.311 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.565 115.055 105.033 96.253 88.494 81.577 75.358 69.723 64.578 59.849 55.470 51.390 47.560 43.937 40.472 33.942 32.650 31.355 30.049 28.728 27.383 26.008 24.595 23.142 21.645 20.109 18.541 16.955 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.648 115.134 105.107 96.324 88.563 81.644 75.424 69.789 64.645 59.918 55.544 51.469 47.649 44.040 40.600 34.118 32.848 31.580 30.308 29.028 27.735 26.423 25.088 23.726 22.334 20.914 19.468 18.003 16.530 15.058 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.731 115.213 105.182 96.395 88.631 81.710 75.489 69.854 64.712 59.986 55.616 51.547 47.735 44.139 40.718 34.281 33.029 31.781 30.536 29.288 28.034 26.769 25.491 24.195 22.879 21.544 20.190 18.820 17.442 16.061 14.687 99999.999 99999.999 99999.999 99999.999 99999.999 126.813 115.291 105.255 96.465 88.698 81.776 75.554 69.918 64.777 60.054 55.686 51.623 47.818 44.232 40.828 34.431 33.194 31.965 30.740 29.518 28.294 27.066 25.830 24.584 23.326 22.054 20.770 19.475 18.173 16.867 15.565 14.272 12.996 99999.999 99999.999 99999.999 126.895 115.368 105.328 96.535 88.765 81.841 75.618 69.982 64.842 60.120 55.756 51.697 47.898 44.322 40.932 34.573 33.348 32.134 30.927 29.725 28.526 27.326 26.124 24.916 23.702 22.481 21.251 20.014 18.772 17.528 16.287 15.052 13.829 12.623 99999.999 99999.999 126.976 115.445 105.401 96.604 88.832 81.905 75.681 70.045 64.905 60.186 55.824 51.769 47.977 44.408 41.029 34.705 33.492 32.290 31.099 29.914 28.735 27.559 26.383 25.207 24.028 22.845 21.659 20.468 19.275 18.082 16.890 15.705 14.529 13.367 12.223 11.100 127.057 115.521 105.473 96.673 88.898 81.969 75.744 70.108 64.969 60.250 55.891 51.840 48.053 44.492 41.123 34.831 33.628 32.437 31.258 30.088 28.926 27.769 26.616 25.465 24.314 23.163 22.011 20.858 19.705 18.553 17.404 16.260 15.125 14.001 12.892 11.802 127.839 116.259 106.171 97.336 89.534 82.585 76.346 70.704 65.567 60.858 56.517 52.494 48.745 45.235 41.932 35.845 34.698 33.570 32.462 31.371 30.297 29.238 28.194 27.163 26.146 25.140 24.146 23.162 22.189 21.227 20.274 19.330 18.397 17.473 16.560 15.656 128.581 116.960 106.831 97.962 90.132 83.162 76.908 71.257 66.116 61.410 57.078 53.070 49.343 45.862 42.596 36.612 35.491 34.392 33.314 32.257 31.218 30.198 29.196 28.210 27.240 26.285 25.344 24.417 23.504 22.603 21.714 20.838 19.973 19.119 18.276 17.444 129.293 117.629 107.461 98.559 90.702 83.710 77.439 71.776 66.629 61.921 57.593 53.593 49.878 46.415 43.172 37.250 36.144 35.061 34.001 32.962 31.944 30.945 29.965 29.003 28.058 27.129 26.215 25.317 24.434 23.564 22.708 21.864 21.033 20.214 19.407 18.612 129.980 118.274 108.067 99.132 91.247 84.233 77.945 72.269 67.113 62.401 58.072 54.076 50.369 46.916 43.688 37.806 36.710 35.638 34.589 33.562 32.556 31.571 30.605 29.657 28.727 27.814 26.917 26.037 25.171 24.320 23.483 22.659 21.849 21.051 20.265 19.490 130.647 118.898 108.653 99.685 91.773 84.736 78.430 72.741 67.574 62.856 58.524 54.528 50.825 47.379 44.160 38.305 37.216 36.151 35.109 34.091 33.093 32.117 31.160 30.222 29.302 28.400 27.514 26.645 25.791 24.952 24.128 23.317 22.520 21.735 20.963 20.203 131.297 119.506 109.221 100.220 92.282 85.223 78.899 73.194 68.017 63.290 58.954 54.956 51.254 47.811 44.598 38.761 37.677 36.617 35.581 34.567 33.576 32.605 31.655 30.724 29.811 28.916 28.039 27.177 26.332 25.501 24.685 23.884 23.096 22.321 21.558 20.808 131.934 120.099 109.775 100.742 92.776 85.695 79.352 73.633 68.443 63.708 59.366 55.364 51.661 48.220 45.010 39.185 38.103 37.047 36.014 35.005 34.018 33.052 32.106 31.179 30.272 29.382 28.510 27.654 26.814 25.990 25.180 24.385 23.604 22.835 22.080 21.336 99999.999 120.681 110.317 101.251 93.258 86.154 79.793 74.058 68.856 64.112 59.762 55.755 52.050 48.608 45.399 39.581 38.502 37.448 36.418 35.411 34.427 33.464 32.521 31.599 30.695 29.809 28.940 28.089 27.253 26.433 25.628 24.837 24.060 23.297 22.546 21.808 Au(HS)2- Au(HS)2(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 2 1.000 19 2.000 6 -32.980 -29.980 -27.555 -25.561 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -32.980 -29.980 -27.555 -25.561 -23.905 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -32.980 -29.979 -27.554 -25.561 -23.904 -22.520 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 4 2.000 1 1.000 19 -4.000 31 2.000 4 271.217 246.654 225.323 206.666 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 271.217 246.654 225.323 206.666 190.193 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 271.221 246.658 225.327 206.669 190.196 175.515 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 271.229 246.665 225.334 206.676 190.202 175.522 162.322 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 271.241 246.677 225.345 206.687 190.213 175.532 162.333 150.364 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 271.262 246.696 225.364 206.705 190.230 175.549 162.350 150.381 139.437 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 271.292 246.725 225.391 206.731 190.256 175.574 162.375 150.407 139.464 129.367 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 271.336 246.766 225.430 206.769 190.292 175.610 162.411 150.445 139.504 129.411 119.998 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 271.396 246.823 225.484 206.821 190.343 175.660 162.461 150.496 139.559 129.471 120.069 111.180 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 271.476 246.899 225.557 206.890 190.410 175.726 162.528 150.565 139.631 129.551 120.161 111.298 102.757 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 271.581 246.998 225.651 206.980 190.497 175.813 162.615 150.653 139.724 129.653 120.280 111.447 102.968 94.522 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 271.715 247.125 225.771 207.095 190.610 175.923 162.725 150.767 139.843 129.783 120.429 111.632 103.222 94.941 85.975 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 271.819 247.223 225.864 207.184 190.696 176.008 162.810 150.853 139.935 129.882 120.542 111.769 103.406 95.228 86.656 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 271.967 247.363 225.997 207.311 190.819 176.129 162.931 150.977 140.063 130.021 120.699 111.959 103.656 95.597 87.369 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 272.114 247.501 226.128 207.437 190.941 176.248 163.050 151.098 140.190 130.156 120.851 112.141 103.888 95.929 87.937 68.139 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 272.259 247.639 226.258 207.561 191.061 176.366 163.168 151.218 140.314 130.289 120.999 112.314 104.107 96.230 88.420 72.798 68.005 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 272.404 247.775 226.387 207.685 191.180 176.483 163.284 151.336 140.436 130.419 121.143 112.481 104.314 96.508 88.843 74.195 70.671 66.569 61.539 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 272.547 247.910 226.515 207.807 191.298 176.599 163.399 151.452 140.556 130.547 121.283 112.642 104.510 96.764 89.220 75.030 71.909 68.561 64.847 60.619 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 272.690 248.044 226.642 207.928 191.415 176.713 163.513 151.567 140.675 130.671 121.419 112.797 104.696 97.003 89.560 75.641 72.718 69.687 66.486 63.039 59.273 55.165 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 272.831 248.177 226.768 208.048 191.531 176.827 163.625 151.680 140.791 130.794 121.552 112.947 104.873 97.225 89.867 76.132 73.328 70.471 67.526 64.454 61.210 57.758 54.090 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 272.971 248.309 226.892 208.167 191.646 176.939 163.737 151.792 140.906 130.914 121.682 113.092 105.042 97.434 90.147 76.547 73.824 71.077 68.285 65.424 62.468 59.390 56.173 52.816 49.339 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 273.111 248.440 227.016 208.285 191.760 177.050 163.847 151.903 141.019 131.033 121.809 113.232 105.204 97.629 90.403 76.910 74.246 71.576 68.886 66.160 63.381 60.530 57.594 54.564 51.443 48.247 45.005 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 273.249 248.570 227.139 208.402 191.873 177.160 163.955 152.012 141.131 131.149 121.933 113.369 105.359 97.813 90.637 77.235 74.616 72.003 69.386 66.754 64.093 61.392 58.640 55.829 52.955 50.023 47.048 44.048 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 273.386 248.699 227.261 208.519 191.985 177.269 164.063 152.120 141.241 131.264 122.055 113.501 105.508 97.987 90.852 77.530 74.947 72.379 69.817 67.253 64.678 62.082 59.458 56.798 54.098 51.359 48.585 45.789 42.984 40.190 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 273.523 248.828 227.382 208.634 192.095 177.377 164.170 152.227 141.350 131.377 122.174 113.631 105.651 98.152 91.052 77.801 75.249 72.716 70.198 67.687 65.176 62.658 60.126 57.576 55.002 52.404 49.783 47.145 44.499 41.857 39.233 99999.999 99999.999 99999.999 99999.999 99999.999 273.659 248.955 227.502 208.748 192.206 177.484 164.275 152.333 141.457 131.488 122.291 113.756 105.790 98.309 91.237 78.053 75.526 73.023 70.540 68.071 65.610 63.152 60.691 58.223 55.744 53.252 50.747 48.232 45.712 43.196 40.692 38.211 35.764 99999.999 99999.999 99999.999 273.793 249.081 227.622 208.862 192.315 177.591 164.380 152.437 141.564 131.597 122.406 113.879 105.924 98.459 91.410 78.290 75.783 73.306 70.852 68.417 65.997 63.586 61.181 58.777 56.371 53.961 51.546 49.128 46.709 44.294 41.891 39.506 37.149 34.827 99999.999 99999.999 273.927 249.207 227.740 208.975 192.423 177.696 164.484 152.541 141.669 131.705 122.519 114.000 106.055 98.604 91.574 78.513 76.025 73.568 71.139 68.733 66.346 63.975 61.614 59.261 56.913 54.568 52.224 49.883 47.545 45.214 42.894 40.591 38.312 36.062 33.849 31.678 274.061 249.332 227.858 209.087 192.531 177.800 164.587 152.643 141.772 131.812 122.630 114.118 106.182 98.743 91.731 78.724 76.252 73.814 71.406 69.025 66.666 64.326 62.003 59.692 57.391 55.098 52.812 50.533 48.261 45.998 43.748 41.514 39.302 37.116 34.961 32.843 275.352 250.541 228.995 210.167 193.566 178.804 165.570 153.619 142.753 132.812 123.664 115.200 107.331 99.981 93.083 80.422 78.045 75.713 73.424 71.175 68.964 66.789 64.647 62.537 60.458 58.407 56.383 54.385 52.412 50.464 48.539 46.637 44.758 42.902 41.069 39.259 276.580 251.687 230.072 211.186 194.540 179.743 166.486 154.521 143.652 133.718 124.587 116.151 108.321 101.021 94.187 81.704 79.372 77.089 74.852 72.660 70.510 68.400 66.329 64.294 62.295 60.329 58.395 56.492 54.619 52.775 50.958 49.168 47.403 45.664 43.949 42.258 277.758 252.783 231.099 212.157 195.466 180.633 167.349 155.367 144.489 134.554 125.431 117.011 109.205 101.937 95.143 82.768 80.462 78.207 76.001 73.841 71.725 69.651 67.618 65.624 63.667 61.746 59.859 58.005 56.182 54.391 52.628 50.894 49.187 47.507 45.852 44.222 278.897 253.839 232.087 213.088 196.352 181.483 168.171 156.169 145.278 135.337 126.215 117.804 110.012 102.764 95.997 83.692 81.404 79.168 76.981 74.841 72.747 70.696 68.687 66.718 64.788 62.894 61.036 59.212 57.420 55.660 53.930 52.230 50.558 48.913 47.295 45.702 280.003 254.862 233.041 213.986 197.205 182.300 168.959 156.935 146.028 136.078 126.953 118.544 110.760 103.525 96.776 84.520 82.244 80.020 77.846 75.721 73.641 71.606 69.613 67.662 65.749 63.873 62.034 60.230 58.459 56.720 55.012 53.334 51.685 50.064 48.469 46.900 281.084 255.858 233.967 214.857 198.030 183.088 169.718 157.670 146.747 136.785 127.654 119.243 111.463 104.235 97.497 85.275 83.007 80.792 78.628 76.512 74.443 72.419 70.438 68.498 66.597 64.735 62.909 61.119 59.362 57.638 55.946 54.283 52.650 51.045 49.467 47.915 282.143 256.830 234.869 215.703 198.831 183.853 170.452 158.381 147.439 137.464 128.323 119.908 112.127 104.903 98.172 85.973 83.711 81.502 79.345 77.236 75.175 73.159 71.186 69.254 67.363 65.510 63.694 61.914 60.167 58.454 56.772 55.121 53.499 51.906 50.340 48.800 99999.999 257.784 235.751 216.529 199.612 184.597 171.166 159.070 148.108 138.118 128.967 120.545 112.761 105.538 98.810 86.625 84.368 82.163 80.011 77.907 75.851 73.841 71.874 69.949 68.064 66.218 64.409 62.636 60.897 59.191 57.518 55.875 54.261 52.676 51.119 49.588 BO2- BO2(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 3 -1.000 1 -1.000 2 1.000 33 9.543 9.245 9.045 8.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.543 9.245 9.045 8.906 8.814 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.542 9.244 9.044 8.905 8.813 8.758 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.539 9.241 9.041 8.903 8.811 8.756 8.733 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.535 9.237 9.038 8.900 8.808 8.753 8.730 8.739 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.528 9.231 9.032 8.894 8.802 8.748 8.725 8.734 8.773 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.517 9.221 9.023 8.886 8.795 8.740 8.718 8.726 8.765 8.838 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.501 9.208 9.011 8.875 8.784 8.729 8.707 8.715 8.754 8.825 8.939 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.480 9.189 8.994 8.859 8.768 8.715 8.693 8.701 8.739 8.809 8.920 9.086 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.451 9.164 8.971 8.837 8.748 8.695 8.673 8.681 8.718 8.787 8.895 9.054 9.292 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.414 9.131 8.941 8.809 8.722 8.669 8.648 8.656 8.692 8.759 8.863 9.015 9.237 9.583 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.366 9.089 8.902 8.774 8.688 8.637 8.616 8.623 8.658 8.723 8.822 8.966 9.172 9.480 10.048 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.329 9.056 8.873 8.746 8.661 8.611 8.591 8.598 8.633 8.696 8.792 8.929 9.124 9.409 9.901 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.276 9.010 8.830 8.707 8.624 8.575 8.556 8.563 8.597 8.657 8.749 8.879 9.058 9.315 9.735 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.223 8.964 8.788 8.667 8.587 8.540 8.521 8.528 8.561 8.620 8.707 8.830 8.997 9.230 9.595 10.862 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.171 8.918 8.747 8.629 8.550 8.504 8.486 8.494 8.526 8.583 8.667 8.783 8.939 9.152 9.473 10.119 10.564 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.119 8.873 8.705 8.590 8.514 8.470 8.452 8.460 8.491 8.547 8.628 8.738 8.884 9.079 9.364 9.878 10.123 10.475 11.014 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.068 8.828 8.665 8.552 8.478 8.435 8.418 8.426 8.457 8.511 8.589 8.695 8.832 9.012 9.266 9.722 9.903 10.132 10.433 10.844 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.017 8.783 8.624 8.514 8.442 8.401 8.385 8.393 8.423 8.476 8.552 8.653 8.782 8.949 9.177 9.601 9.750 9.927 10.142 10.411 10.752 11.176 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.966 8.739 8.583 8.477 8.407 8.367 8.352 8.360 8.390 8.442 8.515 8.612 8.735 8.890 9.096 9.499 9.629 9.777 9.950 10.154 10.399 10.693 11.044 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.916 8.695 8.543 8.440 8.372 8.333 8.319 8.328 8.357 8.408 8.480 8.573 8.690 8.835 9.022 9.411 9.526 9.656 9.803 9.971 10.165 10.391 10.653 10.953 11.291 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.866 8.651 8.504 8.403 8.337 8.300 8.287 8.295 8.325 8.375 8.445 8.535 8.647 8.783 8.955 9.331 9.437 9.553 9.682 9.827 9.990 10.175 10.385 10.622 10.886 11.176 11.486 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.816 8.607 8.464 8.366 8.302 8.267 8.254 8.264 8.293 8.342 8.410 8.498 8.605 8.735 8.894 9.259 9.356 9.462 9.579 9.707 9.850 10.008 10.184 10.380 10.596 10.833 11.087 11.355 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.766 8.564 8.425 8.330 8.268 8.234 8.223 8.232 8.262 8.310 8.377 8.462 8.565 8.689 8.838 9.192 9.282 9.381 9.487 9.604 9.731 9.871 10.024 10.192 10.376 10.575 10.788 11.014 11.250 11.491 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.717 8.521 8.386 8.293 8.234 8.201 8.191 8.201 8.230 8.278 8.343 8.426 8.527 8.646 8.787 9.129 9.214 9.306 9.405 9.512 9.628 9.754 9.890 10.039 10.199 10.371 10.555 10.750 10.954 11.163 11.376 99999.999 99999.999 99999.999 99999.999 99999.999 8.668 8.478 8.347 8.257 8.200 8.169 8.160 8.170 8.200 8.247 8.311 8.392 8.490 8.605 8.739 9.070 9.151 9.237 9.330 9.429 9.536 9.651 9.775 9.908 10.051 10.204 10.366 10.538 10.716 10.901 11.090 11.279 11.467 99999.999 99999.999 99999.999 8.619 8.435 8.308 8.222 8.166 8.137 8.128 8.140 8.169 8.216 8.279 8.358 8.454 8.565 8.695 9.015 9.091 9.173 9.260 9.353 9.452 9.559 9.673 9.794 9.924 10.062 10.207 10.361 10.520 10.686 10.855 11.026 11.196 11.365 99999.999 99999.999 8.570 8.393 8.270 8.186 8.133 8.105 8.098 8.109 8.139 8.185 8.248 8.326 8.419 8.528 8.653 8.961 9.035 9.112 9.195 9.282 9.376 9.475 9.581 9.693 9.812 9.938 10.070 10.210 10.354 10.504 10.657 10.813 10.969 11.124 11.276 11.424 8.522 8.351 8.232 8.151 8.100 8.073 8.067 8.079 8.109 8.155 8.217 8.293 8.385 8.491 8.613 8.911 8.981 9.055 9.133 9.216 9.304 9.398 9.497 9.601 9.712 9.828 9.950 10.078 10.210 10.347 10.488 10.631 10.774 10.918 11.060 11.198 8.052 7.941 7.861 7.808 7.778 7.767 7.773 7.792 7.825 7.869 7.926 7.994 8.072 8.161 8.260 8.489 8.540 8.594 8.649 8.706 8.766 8.828 8.892 8.958 9.027 9.098 9.171 9.246 9.324 9.403 9.484 9.567 9.652 9.737 9.824 9.911 7.600 7.549 7.507 7.482 7.473 7.478 7.495 7.523 7.561 7.608 7.663 7.727 7.799 7.878 7.964 8.158 8.200 8.244 8.288 8.334 8.382 8.430 8.480 8.531 8.584 8.638 8.693 8.750 8.808 8.867 8.927 8.989 9.051 9.115 9.180 9.245 7.164 7.171 7.166 7.168 7.180 7.202 7.231 7.268 7.313 7.363 7.420 7.482 7.551 7.625 7.704 7.877 7.913 7.951 7.990 8.029 8.070 8.111 8.153 8.196 8.240 8.284 8.330 8.377 8.424 8.473 8.522 8.572 8.623 8.675 8.727 8.781 6.739 6.804 6.836 6.865 6.897 6.935 6.978 7.025 7.076 7.132 7.191 7.254 7.322 7.393 7.467 7.627 7.661 7.695 7.730 7.765 7.801 7.838 7.875 7.912 7.951 7.990 8.030 8.070 8.111 8.153 8.195 8.238 8.282 8.327 8.372 8.417 6.324 6.445 6.514 6.569 6.623 6.677 6.732 6.790 6.849 6.910 6.974 7.039 7.107 7.177 7.249 7.401 7.432 7.464 7.496 7.529 7.562 7.595 7.629 7.664 7.699 7.734 7.770 7.806 7.843 7.880 7.918 7.956 7.995 8.035 8.075 8.115 5.916 6.094 6.199 6.281 6.355 6.425 6.494 6.562 6.630 6.697 6.765 6.834 6.903 6.973 7.045 7.192 7.222 7.252 7.283 7.313 7.344 7.376 7.408 7.440 7.472 7.505 7.538 7.571 7.605 7.640 7.674 7.710 7.745 7.781 7.818 7.855 5.515 5.749 5.890 5.999 6.093 6.179 6.261 6.340 6.416 6.491 6.564 6.636 6.708 6.780 6.851 6.996 7.025 7.054 7.084 7.114 7.144 7.174 7.204 7.234 7.265 7.296 7.327 7.359 7.391 7.423 7.456 7.488 7.522 7.555 7.589 7.624 99999.999 5.408 5.586 5.721 5.835 5.938 6.033 6.123 6.208 6.290 6.369 6.446 6.520 6.594 6.667 6.811 6.840 6.869 6.898 6.927 6.956 6.985 7.014 7.044 7.073 7.103 7.133 7.163 7.194 7.225 7.256 7.287 7.319 7.351 7.383 7.416 BaCO3,aq BaCO3(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 3 -1.000 1 1.000 22 1.000 5 8.203 7.683 7.264 6.917 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.203 7.683 7.264 6.917 6.622 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.202 7.683 7.263 6.916 6.621 6.362 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.201 7.682 7.262 6.915 6.620 6.362 6.127 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.200 7.680 7.261 6.914 6.619 6.361 6.126 5.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.198 7.677 7.258 6.911 6.617 6.359 6.125 5.905 5.689 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.194 7.673 7.254 6.907 6.613 6.356 6.123 5.903 5.689 5.467 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.190 7.668 7.248 6.902 6.608 6.352 6.119 5.901 5.688 5.468 5.228 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.183 7.660 7.240 6.895 6.602 6.346 6.115 5.898 5.687 5.470 5.233 4.956 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.174 7.649 7.229 6.884 6.593 6.338 6.109 5.894 5.685 5.471 5.239 4.970 4.634 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.162 7.634 7.215 6.871 6.581 6.328 6.100 5.888 5.682 5.472 5.247 4.988 4.669 4.237 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.146 7.616 7.196 6.854 6.565 6.314 6.089 5.880 5.678 5.474 5.256 5.009 4.710 4.317 3.679 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.134 7.601 7.182 6.840 6.553 6.304 6.081 5.874 5.675 5.474 5.261 5.023 4.739 4.371 3.799 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.116 7.580 7.161 6.820 6.535 6.288 6.068 5.865 5.669 5.474 5.269 5.042 4.776 4.441 3.941 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.097 7.558 7.140 6.800 6.517 6.272 6.055 5.855 5.663 5.473 5.275 5.058 4.810 4.503 4.062 3.179 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.079 7.537 7.118 6.780 6.498 6.256 6.042 5.845 5.657 5.471 5.279 5.073 4.839 4.557 4.166 3.664 3.322 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.060 7.515 7.096 6.760 6.480 6.240 6.028 5.834 5.650 5.469 5.283 5.085 4.865 4.606 4.257 3.816 3.614 3.329 2.866 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.040 7.493 7.075 6.739 6.461 6.224 6.014 5.823 5.643 5.466 5.286 5.096 4.888 4.648 4.337 3.919 3.759 3.565 3.311 2.955 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.021 7.470 7.053 6.719 6.443 6.207 6.000 5.812 5.635 5.462 5.287 5.105 4.908 4.686 4.406 4.000 3.862 3.705 3.518 3.286 2.986 2.596 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.001 7.448 7.031 6.698 6.424 6.191 5.986 5.801 5.627 5.458 5.288 5.113 4.926 4.718 4.466 4.066 3.944 3.808 3.653 3.474 3.259 2.997 2.675 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.981 7.425 7.008 6.677 6.405 6.174 5.972 5.789 5.618 5.453 5.288 5.119 4.941 4.747 4.518 4.124 4.012 3.891 3.756 3.605 3.433 3.233 2.998 2.722 2.404 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.961 7.403 6.986 6.656 6.386 6.157 5.957 5.777 5.609 5.448 5.287 5.124 4.954 4.771 4.562 4.174 4.071 3.961 3.840 3.708 3.561 3.396 3.208 2.995 2.753 2.482 2.186 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.941 7.380 6.964 6.635 6.366 6.139 5.942 5.765 5.600 5.442 5.286 5.128 4.965 4.792 4.599 4.219 4.123 4.021 3.911 3.792 3.662 3.520 3.362 3.186 2.991 2.775 2.540 2.288 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.920 7.357 6.941 6.614 6.347 6.122 5.927 5.752 5.590 5.436 5.284 5.131 4.974 4.809 4.630 4.259 4.169 4.074 3.973 3.864 3.747 3.620 3.482 3.332 3.167 2.987 2.793 2.586 2.367 2.140 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.899 7.334 6.918 6.592 6.327 6.104 5.911 5.739 5.580 5.429 5.281 5.133 4.982 4.824 4.656 4.295 4.211 4.122 4.028 3.927 3.820 3.705 3.582 3.448 3.305 3.150 2.985 2.809 2.624 2.432 2.235 99999.999 99999.999 99999.999 99999.999 99999.999 7.878 7.310 6.895 6.571 6.307 6.086 5.896 5.726 5.570 5.422 5.278 5.134 4.987 4.836 4.677 4.328 4.249 4.165 4.077 3.983 3.884 3.779 3.666 3.546 3.418 3.282 3.137 2.984 2.823 2.657 2.487 2.314 2.143 99999.999 99999.999 99999.999 7.857 7.287 6.872 6.549 6.287 6.069 5.880 5.713 5.560 5.415 5.274 5.134 4.992 4.847 4.694 4.358 4.283 4.204 4.121 4.033 3.941 3.844 3.740 3.631 3.514 3.392 3.262 3.126 2.984 2.837 2.687 2.535 2.382 2.232 99999.999 99999.999 7.836 7.263 6.849 6.527 6.267 6.051 5.864 5.700 5.549 5.407 5.269 5.133 4.996 4.855 4.709 4.386 4.314 4.240 4.161 4.079 3.993 3.902 3.806 3.704 3.598 3.486 3.368 3.245 3.118 2.986 2.851 2.715 2.578 2.442 2.309 2.181 7.814 7.239 6.826 6.505 6.247 6.032 5.848 5.686 5.538 5.399 5.265 5.132 4.999 4.862 4.721 4.412 4.344 4.272 4.198 4.121 4.039 3.954 3.864 3.770 3.672 3.568 3.461 3.348 3.232 3.112 2.990 2.866 2.741 2.617 2.495 2.377 7.588 6.994 6.587 6.281 6.040 5.844 5.681 5.541 5.417 5.304 5.198 5.096 4.996 4.897 4.796 4.585 4.541 4.495 4.448 4.399 4.350 4.298 4.245 4.190 4.134 4.076 4.016 3.955 3.892 3.827 3.762 3.695 3.627 3.558 3.489 3.420 7.347 6.739 6.339 6.047 5.823 5.646 5.501 5.381 5.279 5.188 5.106 5.029 4.955 4.884 4.813 4.668 4.638 4.607 4.576 4.544 4.512 4.478 4.444 4.409 4.372 4.335 4.297 4.258 4.218 4.176 4.134 4.091 4.047 4.002 3.956 3.910 7.094 6.474 6.083 5.806 5.599 5.440 5.313 5.212 5.128 5.057 4.995 4.940 4.889 4.840 4.793 4.699 4.680 4.660 4.641 4.620 4.600 4.579 4.557 4.535 4.512 4.488 4.464 4.439 4.413 4.386 4.359 4.331 4.302 4.272 4.242 4.211 6.831 6.203 5.822 5.560 5.370 5.227 5.119 5.034 4.968 4.915 4.872 4.835 4.803 4.775 4.748 4.696 4.685 4.675 4.664 4.653 4.641 4.630 4.618 4.605 4.592 4.578 4.564 4.550 4.534 4.519 4.502 4.485 4.467 4.449 4.429 4.409 6.561 5.926 5.555 5.309 5.135 5.010 4.918 4.850 4.801 4.764 4.738 4.718 4.704 4.693 4.684 4.668 4.665 4.662 4.658 4.655 4.651 4.647 4.643 4.638 4.633 4.628 4.622 4.615 4.608 4.601 4.593 4.584 4.575 4.565 4.554 4.543 6.284 5.644 5.284 5.053 4.897 4.788 4.713 4.661 4.628 4.607 4.596 4.592 4.593 4.598 4.605 4.622 4.625 4.628 4.631 4.634 4.637 4.640 4.642 4.644 4.646 4.647 4.648 4.648 4.648 4.647 4.646 4.645 4.642 4.639 4.636 4.632 6.003 5.358 5.009 4.794 4.655 4.563 4.504 4.468 4.449 4.444 4.447 4.458 4.474 4.493 4.515 4.561 4.570 4.579 4.588 4.596 4.605 4.613 4.621 4.629 4.637 4.644 4.650 4.656 4.662 4.667 4.672 4.676 4.680 4.683 4.685 4.687 99999.999 5.069 4.731 4.532 4.410 4.335 4.291 4.271 4.267 4.276 4.293 4.318 4.348 4.380 4.415 4.488 4.502 4.516 4.531 4.545 4.558 4.572 4.585 4.598 4.610 4.623 4.634 4.646 4.656 4.667 4.676 4.686 4.694 4.702 4.710 4.716 Ba(HCO3)+ Ba(HCO3)(+1) P-T:All Charge = 1. Radius(Å) = 2.50 Alk. = 0.000 Ref: Shock07 2 1.000 22 1.000 5 -0.748 -1.017 -1.330 -1.657 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.748 -1.017 -1.330 -1.657 -1.990 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.747 -1.017 -1.330 -1.657 -1.990 -2.327 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.745 -1.015 -1.328 -1.656 -1.988 -2.326 -2.668 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.742 -1.013 -1.326 -1.653 -1.986 -2.323 -2.666 -3.016 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.738 -1.009 -1.323 -1.650 -1.983 -2.320 -2.662 -3.012 -3.375 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.731 -1.003 -1.317 -1.645 -1.978 -2.315 -2.657 -3.007 -3.368 -3.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.721 -0.995 -1.310 -1.638 -1.971 -2.308 -2.649 -2.999 -3.359 -3.739 -4.149 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.708 -0.983 -1.299 -1.628 -1.961 -2.298 -2.639 -2.988 -3.347 -3.724 -4.131 -4.587 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 -0.617 -0.905 -1.227 -1.559 -1.894 -2.230 -2.569 -2.913 -3.264 -3.629 -4.015 -4.434 -4.905 -5.466 -6.242 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.586 -0.878 -1.203 -1.536 -1.871 -2.207 -2.545 -2.887 -3.236 -3.597 -3.977 -4.385 -4.838 -5.366 -6.069 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.556 -0.852 -1.179 -1.513 -1.849 -2.185 -2.522 -2.863 -3.210 -3.567 -3.940 -4.339 -4.775 -5.275 -5.917 -7.167 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.526 -0.827 -1.156 -1.491 -1.827 -2.163 -2.500 -2.839 -3.183 -3.537 -3.905 -4.295 -4.717 -5.191 -5.783 -6.653 -7.075 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.497 -0.802 -1.133 -1.470 -1.806 -2.142 -2.478 -2.815 -3.158 -3.509 -3.872 -4.253 -4.662 -5.115 -5.662 -6.476 -6.756 -7.121 -7.671 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.469 -0.778 -1.111 -1.448 -1.786 -2.121 -2.456 -2.793 -3.133 -3.481 -3.839 -4.214 -4.611 -5.044 -5.553 -6.349 -6.586 -6.859 -7.192 -7.633 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.442 -0.754 -1.089 -1.428 -1.765 -2.101 -2.435 -2.770 -3.109 -3.454 -3.808 -4.176 -4.563 -4.979 -5.456 -6.243 -6.459 -6.694 -6.959 -7.271 -7.654 -8.131 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.415 -0.731 -1.068 -1.408 -1.745 -2.081 -2.415 -2.749 -3.086 -3.428 -3.778 -4.140 -4.518 -4.919 -5.368 -6.152 -6.352 -6.566 -6.799 -7.058 -7.352 -7.696 -8.103 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.388 -0.708 -1.047 -1.388 -1.726 -2.061 -2.395 -2.728 -3.063 -3.403 -3.749 -4.106 -4.475 -4.864 -5.289 -6.070 -6.259 -6.459 -6.672 -6.901 -7.153 -7.433 -7.749 -8.108 -8.511 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.363 -0.686 -1.026 -1.368 -1.707 -2.042 -2.375 -2.707 -3.041 -3.378 -3.722 -4.073 -4.435 -4.813 -5.219 -5.995 -6.176 -6.366 -6.564 -6.775 -7.001 -7.245 -7.512 -7.805 -8.129 -8.483 -8.864 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.337 -0.664 -1.006 -1.349 -1.689 -2.024 -2.356 -2.687 -3.019 -3.354 -3.695 -4.042 -4.398 -4.766 -5.155 -5.927 -6.101 -6.281 -6.470 -6.667 -6.875 -7.097 -7.333 -7.588 -7.863 -8.160 -8.477 -8.812 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.313 -0.643 -0.987 -1.331 -1.670 -2.006 -2.337 -2.667 -2.998 -3.331 -3.669 -4.012 -4.362 -4.723 -5.099 -5.863 -6.031 -6.205 -6.385 -6.572 -6.767 -6.973 -7.189 -7.419 -7.662 -7.921 -8.195 -8.483 -8.783 -9.090 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.288 -0.622 -0.968 -1.313 -1.653 -1.988 -2.319 -2.648 -2.977 -3.308 -3.643 -3.983 -4.329 -4.682 -5.048 -5.803 -5.966 -6.134 -6.307 -6.486 -6.672 -6.865 -7.067 -7.278 -7.501 -7.734 -7.978 -8.233 -8.498 -8.769 -9.045 99999.999 99999.999 99999.999 99999.999 99999.999 -0.265 -0.602 -0.949 -1.295 -1.635 -1.970 -2.301 -2.629 -2.957 -3.286 -3.619 -3.955 -4.297 -4.645 -5.002 -5.747 -5.906 -6.068 -6.235 -6.407 -6.585 -6.769 -6.960 -7.158 -7.364 -7.579 -7.802 -8.034 -8.273 -8.517 -8.766 -9.017 -9.266 99999.999 99999.999 99999.999 -0.242 -0.582 -0.931 -1.277 -1.618 -1.953 -2.284 -2.611 -2.938 -3.265 -3.595 -3.928 -4.266 -4.610 -4.961 -5.694 -5.848 -6.006 -6.168 -6.335 -6.506 -6.682 -6.864 -7.051 -7.246 -7.447 -7.654 -7.868 -8.088 -8.312 -8.541 -8.770 -9.000 -9.227 99999.999 99999.999 -0.219 -0.562 -0.913 -1.260 -1.602 -1.937 -2.266 -2.593 -2.918 -3.244 -3.572 -3.903 -4.237 -4.576 -4.922 -5.643 -5.794 -5.948 -6.106 -6.267 -6.432 -6.602 -6.776 -6.956 -7.140 -7.330 -7.526 -7.726 -7.931 -8.140 -8.352 -8.566 -8.780 -8.992 -9.200 -9.404 -0.197 -0.543 -0.895 -1.243 -1.585 -1.920 -2.250 -2.575 -2.900 -3.224 -3.549 -3.878 -4.209 -4.545 -4.886 -5.595 -5.743 -5.893 -6.047 -6.203 -6.364 -6.528 -6.696 -6.868 -7.045 -7.226 -7.412 -7.602 -7.795 -7.992 -8.191 -8.392 -8.593 -8.793 -8.990 -9.184 0.002 -0.371 -0.737 -1.093 -1.438 -1.773 -2.099 -2.419 -2.733 -3.043 -3.352 -3.659 -3.966 -4.273 -4.581 -5.204 -5.330 -5.457 -5.586 -5.715 -5.845 -5.977 -6.110 -6.244 -6.379 -6.516 -6.655 -6.794 -6.935 -7.077 -7.220 -7.363 -7.507 -7.652 -7.796 -7.940 0.165 -0.230 -0.607 -0.969 -1.317 -1.652 -1.976 -2.290 -2.596 -2.897 -3.192 -3.485 -3.774 -4.062 -4.347 -4.916 -5.030 -5.144 -5.259 -5.373 -5.488 -5.604 -5.720 -5.836 -5.953 -6.071 -6.189 -6.307 -6.427 -6.546 -6.667 -6.788 -6.909 -7.031 -7.153 -7.275 0.299 -0.113 -0.499 -0.866 -1.216 -1.550 -1.872 -2.182 -2.483 -2.775 -3.061 -3.342 -3.618 -3.890 -4.159 -4.690 -4.796 -4.901 -5.006 -5.111 -5.216 -5.321 -5.426 -5.531 -5.636 -5.742 -5.847 -5.953 -6.060 -6.166 -6.273 -6.380 -6.488 -6.595 -6.703 -6.811 0.410 -0.016 -0.409 -0.780 -1.131 -1.465 -1.785 -2.092 -2.388 -2.674 -2.952 -3.223 -3.488 -3.748 -4.004 -4.506 -4.605 -4.703 -4.801 -4.899 -4.997 -5.094 -5.191 -5.289 -5.386 -5.483 -5.580 -5.677 -5.774 -5.871 -5.969 -6.066 -6.164 -6.262 -6.360 -6.458 0.502 0.064 -0.335 -0.708 -1.060 -1.394 -1.712 -2.015 -2.307 -2.588 -2.859 -3.122 -3.379 -3.629 -3.874 -4.352 -4.446 -4.539 -4.632 -4.724 -4.816 -4.907 -4.999 -5.090 -5.181 -5.271 -5.362 -5.452 -5.543 -5.633 -5.723 -5.814 -5.904 -5.994 -6.085 -6.176 0.579 0.131 -0.273 -0.648 -1.000 -1.333 -1.649 -1.950 -2.238 -2.514 -2.780 -3.037 -3.286 -3.528 -3.764 -4.222 -4.311 -4.400 -4.488 -4.576 -4.664 -4.750 -4.837 -4.923 -5.009 -5.095 -5.180 -5.265 -5.350 -5.435 -5.520 -5.605 -5.690 -5.774 -5.859 -5.944 0.643 0.187 -0.222 -0.598 -0.951 -1.282 -1.597 -1.895 -2.180 -2.452 -2.712 -2.964 -3.206 -3.441 -3.670 -4.110 -4.196 -4.281 -4.366 -4.450 -4.534 -4.617 -4.699 -4.781 -4.863 -4.945 -5.026 -5.107 -5.188 -5.268 -5.349 -5.429 -5.509 -5.590 -5.670 -5.750 99999.999 0.233 -0.179 -0.558 -0.909 -1.240 -1.552 -1.848 -2.130 -2.398 -2.654 -2.901 -3.137 -3.366 -3.588 -4.014 -4.097 -4.179 -4.261 -4.342 -4.422 -4.502 -4.581 -4.660 -4.738 -4.816 -4.894 -4.971 -5.049 -5.126 -5.202 -5.279 -5.356 -5.432 -5.509 -5.585 BaCl+ BaCl(+) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 2 1.000 22 1.000 3 0.660 0.498 0.290 0.059 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.660 0.498 0.290 0.059 -0.188 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.660 0.498 0.290 0.059 -0.188 -0.448 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.661 0.498 0.290 0.059 -0.188 -0.448 -0.721 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.662 0.499 0.291 0.060 -0.187 -0.447 -0.720 -1.007 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.663 0.500 0.292 0.060 -0.186 -0.446 -0.719 -1.006 -1.310 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.665 0.501 0.293 0.061 -0.185 -0.445 -0.717 -1.003 -1.307 -1.632 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.667 0.503 0.294 0.063 -0.183 -0.443 -0.714 -1.000 -1.302 -1.626 -1.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.671 0.505 0.296 0.065 -0.181 -0.440 -0.711 -0.995 -1.296 -1.618 -1.972 -2.374 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.676 0.508 0.299 0.068 -0.178 -0.436 -0.706 -0.989 -1.288 -1.608 -1.957 -2.351 -2.816 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.682 0.512 0.302 0.071 -0.174 -0.431 -0.700 -0.982 -1.278 -1.594 -1.938 -2.323 -2.772 -3.332 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.690 0.517 0.306 0.075 -0.169 -0.425 -0.693 -0.972 -1.266 -1.577 -1.915 -2.289 -2.720 -3.245 -3.994 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.695 0.521 0.310 0.079 -0.166 -0.421 -0.687 -0.965 -1.256 -1.565 -1.897 -2.264 -2.681 -3.183 -3.878 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.703 0.526 0.314 0.083 -0.161 -0.415 -0.679 -0.955 -1.243 -1.548 -1.874 -2.230 -2.630 -3.101 -3.732 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.711 0.530 0.318 0.087 -0.156 -0.409 -0.672 -0.946 -1.231 -1.532 -1.852 -2.198 -2.583 -3.027 -3.604 -4.501 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.718 0.535 0.321 0.091 -0.152 -0.404 -0.665 -0.937 -1.219 -1.516 -1.830 -2.168 -2.539 -2.960 -3.490 -4.177 -4.494 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.724 0.539 0.325 0.094 -0.148 -0.399 -0.658 -0.928 -1.208 -1.501 -1.810 -2.140 -2.498 -2.899 -3.389 -4.058 -4.283 -4.569 -5.004 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.731 0.543 0.328 0.098 -0.144 -0.394 -0.652 -0.920 -1.197 -1.487 -1.792 -2.114 -2.461 -2.843 -3.298 -3.966 -4.164 -4.386 -4.655 -5.010 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.737 0.547 0.331 0.101 -0.140 -0.389 -0.646 -0.912 -1.187 -1.474 -1.774 -2.090 -2.426 -2.792 -3.217 -3.887 -4.070 -4.268 -4.487 -4.743 -5.056 -5.451 99999.999 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-17.504 -17.174 -17.077 -17.130 -17.291 -17.536 -17.849 -18.222 -18.650 -19.128 -19.654 -20.223 -20.833 -21.482 -22.177 -23.633 -23.952 -24.279 -24.616 -24.963 -25.321 -25.691 -26.074 -26.471 -26.884 -27.315 -27.763 -28.229 -28.710 -29.203 -29.703 99999.999 99999.999 99999.999 99999.999 99999.999 -17.454 -17.126 -17.031 -17.085 -17.246 -17.489 -17.801 -18.172 -18.595 -19.068 -19.587 -20.148 -20.747 -21.383 -22.057 -23.497 -23.808 -24.127 -24.455 -24.792 -25.138 -25.494 -25.862 -26.241 -26.632 -27.037 -27.454 -27.883 -28.324 -28.773 -29.227 -29.682 -30.131 99999.999 99999.999 99999.999 -17.404 -17.079 -16.986 -17.040 -17.201 -17.444 -17.754 -18.121 -18.541 -19.009 -19.522 -20.075 -20.665 -21.289 -21.948 -23.367 -23.670 -23.982 -24.301 -24.628 -24.964 -25.309 -25.664 -26.028 -26.403 -26.787 -27.182 -27.585 -27.997 -28.415 -28.837 -29.258 -29.676 -30.085 99999.999 99999.999 -17.355 -17.033 -16.941 -16.996 -17.157 -17.399 -17.707 -18.072 -18.488 -18.951 -19.458 -20.003 -20.585 -21.200 -21.847 -23.241 -23.538 -23.842 -24.154 -24.473 -24.799 -25.134 -25.478 -25.829 -26.190 -26.559 -26.936 -27.320 -27.710 -28.105 -28.503 -28.900 -29.295 -29.682 -30.059 -30.421 -17.306 -16.986 -16.896 -16.952 -17.113 -17.354 -17.660 -18.022 -18.435 -18.894 -19.395 -19.934 -20.508 -21.114 -21.750 -23.120 -23.411 -23.708 -24.012 -24.323 -24.642 -24.968 -25.301 -25.642 -25.990 -26.346 -26.709 -27.077 -27.451 -27.829 -28.208 -28.587 -28.964 -29.335 -29.697 -30.047 -16.854 -16.547 -16.467 -16.529 -16.689 -16.924 -17.217 -17.558 -17.941 -18.362 -18.817 -19.302 -19.815 -20.351 -20.908 -22.086 -22.331 -22.581 -22.834 -23.090 -23.351 -23.616 -23.884 -24.157 -24.433 -24.713 -24.996 -25.283 -25.573 -25.866 -26.160 -26.456 -26.753 -27.051 -27.348 -27.644 -16.453 -16.142 -16.067 -16.132 -16.292 -16.522 -16.806 -17.133 -17.495 -17.889 -18.311 -18.757 -19.225 -19.711 -20.215 -21.265 -21.482 -21.702 -21.924 -22.148 -22.375 -22.604 -22.836 -23.070 -23.307 -23.546 -23.788 -24.033 -24.279 -24.528 -24.780 -25.033 -25.288 -25.545 -25.803 -26.062 -16.093 -15.766 -15.690 -15.757 -15.917 -16.144 -16.421 -16.737 -17.085 -17.458 -17.855 -18.271 -18.706 -19.155 -19.618 -20.576 -20.773 -20.972 -21.172 -21.373 -21.577 -21.782 -21.989 -22.197 -22.408 -22.620 -22.835 -23.051 -23.269 -23.488 -23.710 -23.933 -24.158 -24.385 -24.613 -24.843 -15.765 -15.414 -15.334 -15.400 -15.560 -15.785 -16.057 -16.365 -16.701 -17.060 -17.437 -17.831 -18.239 -18.659 -19.090 -19.978 -20.159 -20.342 -20.525 -20.710 -20.897 -21.084 -21.273 -21.463 -21.654 -21.847 -22.041 -22.236 -22.433 -22.631 -22.831 -23.033 -23.235 -23.440 -23.646 -23.853 -15.465 -15.082 -14.995 -15.060 -15.219 -15.442 -15.711 -16.013 -16.340 -16.687 -17.050 -17.426 -17.813 -18.210 -18.615 -19.447 -19.616 -19.786 -19.957 -20.128 -20.301 -20.475 -20.649 -20.825 -21.002 -21.179 -21.358 -21.538 -21.719 -21.901 -22.084 -22.269 -22.455 -22.642 -22.830 -23.020 -15.187 -14.767 -14.671 -14.733 -14.891 -15.113 -15.379 -15.677 -15.997 -16.335 -16.687 -17.048 -17.419 -17.797 -18.182 -18.967 -19.126 -19.286 -19.447 -19.608 -19.770 -19.933 -20.096 -20.260 -20.425 -20.591 -20.758 -20.926 -21.094 -21.264 -21.434 -21.606 -21.778 -21.952 -22.127 -22.302 -14.927 -14.466 -14.359 -14.418 -14.575 -14.796 -15.060 -15.354 -15.670 -16.001 -16.343 -16.694 -17.051 -17.414 -17.782 -18.529 -18.680 -18.832 -18.984 -19.137 -19.290 -19.444 -19.598 -19.753 -19.909 -20.065 -20.222 -20.380 -20.538 -20.698 -20.858 -21.019 -21.181 -21.344 -21.508 -21.673 99999.999 -14.177 -14.058 -14.114 -14.269 -14.489 -14.752 -15.044 -15.356 -15.681 -16.017 -16.358 -16.705 -17.056 -17.409 -18.125 -18.270 -18.414 -18.559 -18.705 -18.851 -18.997 -19.144 -19.292 -19.440 -19.588 -19.737 -19.887 -20.037 -20.188 -20.340 -20.493 -20.647 -20.801 -20.956 -21.113 BaF+ BaF(+) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 2 1.000 22 1.000 23 0.278 0.183 0.029 -0.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.278 0.183 0.029 -0.155 -0.360 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.278 0.183 0.030 -0.155 -0.360 -0.581 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.279 0.184 0.030 -0.155 -0.360 -0.581 -0.818 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.280 0.184 0.030 -0.154 -0.359 -0.580 -0.818 -1.072 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.281 0.185 0.031 -0.153 -0.358 -0.579 -0.816 -1.070 -1.342 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.283 0.186 0.032 -0.152 -0.357 -0.578 -0.815 -1.068 -1.339 -1.635 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.286 0.188 0.034 -0.151 -0.355 -0.576 -0.812 -1.064 -1.335 -1.629 -1.957 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.290 0.191 0.036 -0.149 -0.353 -0.573 -0.808 -1.059 -1.329 -1.621 -1.946 -2.320 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.295 0.194 0.039 -0.146 -0.350 -0.569 -0.804 -1.053 -1.321 -1.610 -1.931 -2.298 -2.734 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.302 0.198 0.042 -0.142 -0.346 -0.564 -0.798 -1.046 -1.311 -1.597 -1.912 -2.269 -2.690 -3.215 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.310 0.204 0.046 -0.138 -0.341 -0.558 -0.790 -1.036 -1.298 -1.580 -1.888 -2.235 -2.638 -3.131 -3.822 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.316 0.208 0.050 -0.135 -0.337 -0.554 -0.784 -1.029 -1.288 -1.567 -1.871 -2.210 -2.599 -3.070 -3.723 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.325 0.213 0.054 -0.130 -0.332 -0.548 -0.776 -1.018 -1.275 -1.550 -1.847 -2.175 -2.548 -2.990 -3.587 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.333 0.218 0.059 -0.126 -0.327 -0.542 -0.769 -1.009 -1.263 -1.533 -1.824 -2.143 -2.500 -2.916 -3.463 -3.818 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.341 0.223 0.063 -0.122 -0.322 -0.536 -0.762 -0.999 -1.251 -1.517 -1.803 -2.113 -2.456 -2.849 -3.350 -3.792 -3.954 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.349 0.228 0.067 -0.118 -0.318 -0.531 -0.755 -0.991 -1.239 -1.502 -1.783 -2.085 -2.415 -2.787 -3.249 -3.744 -3.898 -4.076 -4.355 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.357 0.233 0.070 -0.114 -0.314 -0.525 -0.748 -0.982 -1.228 -1.488 -1.763 -2.058 -2.377 -2.731 -3.157 -3.686 -3.838 -4.000 -4.184 -4.428 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.364 0.237 0.074 -0.111 -0.310 -0.520 -0.742 -0.974 -1.217 -1.474 -1.745 -2.033 -2.342 -2.680 -3.075 -3.628 -3.777 -3.932 -4.097 -4.282 -4.509 -4.804 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.371 0.241 0.077 -0.107 -0.306 -0.515 -0.735 -0.966 -1.207 -1.460 -1.727 -2.009 -2.309 -2.633 -3.002 -3.572 -3.717 -3.867 -4.023 -4.190 -4.375 -4.590 -4.848 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.377 0.245 0.080 -0.104 -0.302 -0.511 -0.729 -0.958 -1.197 -1.448 -1.711 -1.987 -2.279 -2.591 -2.937 -3.520 -3.661 -3.806 -3.956 -4.113 -4.280 -4.462 -4.667 -4.901 -5.169 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.384 0.249 0.083 -0.101 -0.299 -0.506 -0.724 -0.951 -1.188 -1.435 -1.695 -1.966 -2.251 -2.552 -2.880 -3.471 -3.608 -3.749 -3.893 -4.044 -4.201 -4.367 -4.545 -4.740 -4.956 -5.194 -5.454 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.390 0.252 0.086 -0.098 -0.295 -0.502 -0.718 -0.944 -1.179 -1.424 -1.680 -1.947 -2.225 -2.517 -2.830 -3.425 -3.558 -3.695 -3.835 -3.979 -4.129 -4.285 -4.450 -4.624 -4.810 -5.011 -5.227 -5.456 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.396 0.256 0.089 -0.096 -0.292 -0.498 -0.713 -0.937 -1.170 -1.412 -1.665 -1.928 -2.201 -2.486 -2.786 -3.381 -3.511 -3.644 -3.780 -3.920 -4.064 -4.213 -4.368 -4.529 -4.698 -4.877 -5.065 -5.263 -5.469 -5.680 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.401 0.259 0.091 -0.093 -0.289 -0.494 -0.708 -0.930 -1.161 -1.402 -1.651 -1.911 -2.179 -2.457 -2.747 -3.339 -3.466 -3.596 -3.728 -3.864 -4.003 -4.147 -4.294 -4.447 -4.605 -4.769 -4.940 -5.118 -5.301 -5.488 -5.677 99999.999 99999.999 99999.999 99999.999 99999.999 0.407 0.262 0.093 -0.091 -0.286 -0.491 -0.703 -0.924 -1.153 -1.391 -1.638 -1.894 -2.158 -2.431 -2.714 -3.300 -3.424 -3.550 -3.679 -3.811 -3.947 -4.085 -4.227 -4.373 -4.523 -4.678 -4.837 -5.001 -5.168 -5.339 -5.511 -5.683 -5.853 99999.999 99999.999 99999.999 0.412 0.264 0.096 -0.089 -0.283 -0.487 -0.699 -0.918 -1.145 -1.381 -1.625 -1.878 -2.139 -2.407 -2.684 -3.262 -3.383 -3.507 -3.633 -3.762 -3.893 -4.028 -4.165 -4.306 -4.450 -4.597 -4.748 -4.902 -5.058 -5.217 -5.377 -5.537 -5.695 -5.850 99999.999 99999.999 0.417 0.267 0.098 -0.086 -0.281 -0.484 -0.694 -0.912 -1.138 -1.371 -1.613 -1.863 -2.120 -2.385 -2.657 -3.226 -3.345 -3.466 -3.589 -3.715 -3.843 -3.973 -4.107 -4.243 -4.382 -4.523 -4.668 -4.814 -4.963 -5.113 -5.264 -5.415 -5.564 -5.711 -5.853 -5.989 0.422 0.270 0.099 -0.084 -0.279 -0.481 -0.690 -0.906 -1.130 -1.362 -1.601 -1.849 -2.103 -2.364 -2.632 -3.192 -3.308 -3.427 -3.547 -3.670 -3.795 -3.922 -4.052 -4.184 -4.319 -4.456 -4.595 -4.736 -4.878 -5.022 -5.166 -5.310 -5.453 -5.593 -5.730 -5.862 0.458 0.286 0.111 -0.072 -0.261 -0.456 -0.656 -0.860 -1.069 -1.283 -1.503 -1.727 -1.956 -2.189 -2.426 -2.912 -3.012 -3.112 -3.214 -3.316 -3.420 -3.524 -3.630 -3.737 -3.845 -3.954 -4.065 -4.176 -4.288 -4.400 -4.513 -4.627 -4.741 -4.854 -4.968 -5.080 0.476 0.290 0.112 -0.069 -0.255 -0.443 -0.635 -0.830 -1.027 -1.227 -1.430 -1.637 -1.847 -2.059 -2.273 -2.710 -2.798 -2.887 -2.976 -3.066 -3.157 -3.248 -3.340 -3.433 -3.526 -3.620 -3.714 -3.809 -3.905 -4.002 -4.099 -4.197 -4.295 -4.394 -4.493 -4.592 0.482 0.284 0.104 -0.075 -0.256 -0.439 -0.624 -0.810 -0.997 -1.186 -1.377 -1.569 -1.764 -1.959 -2.156 -2.554 -2.634 -2.715 -2.796 -2.877 -2.958 -3.040 -3.122 -3.205 -3.288 -3.371 -3.455 -3.539 -3.624 -3.709 -3.795 -3.882 -3.968 -4.056 -4.143 -4.232 0.476 0.269 0.088 -0.088 -0.265 -0.442 -0.621 -0.799 -0.978 -1.158 -1.337 -1.518 -1.700 -1.882 -2.064 -2.432 -2.505 -2.579 -2.653 -2.727 -2.802 -2.876 -2.951 -3.026 -3.101 -3.177 -3.253 -3.329 -3.405 -3.482 -3.560 -3.638 -3.716 -3.794 -3.873 -3.953 0.462 0.247 0.066 -0.107 -0.279 -0.451 -0.624 -0.796 -0.967 -1.138 -1.309 -1.479 -1.650 -1.821 -1.991 -2.333 -2.401 -2.470 -2.538 -2.607 -2.675 -2.744 -2.813 -2.882 -2.951 -3.020 -3.090 -3.160 -3.230 -3.300 -3.371 -3.442 -3.514 -3.585 -3.657 -3.730 0.441 0.220 0.040 -0.131 -0.298 -0.465 -0.632 -0.798 -0.962 -1.126 -1.289 -1.451 -1.612 -1.773 -1.933 -2.252 -2.316 -2.380 -2.444 -2.508 -2.572 -2.636 -2.700 -2.764 -2.828 -2.892 -2.957 -3.021 -3.086 -3.152 -3.217 -3.283 -3.349 -3.415 -3.481 -3.548 0.414 0.188 0.009 -0.158 -0.322 -0.484 -0.645 -0.805 -0.963 -1.120 -1.276 -1.430 -1.583 -1.735 -1.886 -2.187 -2.247 -2.307 -2.366 -2.426 -2.486 -2.546 -2.606 -2.666 -2.726 -2.786 -2.846 -2.907 -2.967 -3.028 -3.089 -3.150 -3.212 -3.273 -3.336 -3.398 99999.999 0.153 -0.026 -0.190 -0.349 -0.506 -0.661 -0.816 -0.969 -1.120 -1.269 -1.416 -1.562 -1.706 -1.849 -2.133 -2.190 -2.246 -2.302 -2.359 -2.415 -2.471 -2.528 -2.584 -2.641 -2.697 -2.754 -2.810 -2.867 -2.925 -2.982 -3.039 -3.097 -3.155 -3.213 -3.272 CH4,aq CH4 P-T:All Charge = 0. Radius(Å) = 9.99 Alk. = 0.000 Ref: Shock07 4 -1.000 4 1.000 5 1.000 6 1.000 2 5.807 5.893 5.956 5.995 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.807 5.893 5.956 5.995 6.016 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.806 5.893 5.955 5.995 6.016 6.022 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.805 5.892 5.955 5.995 6.016 6.021 6.014 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.804 5.891 5.954 5.995 6.016 6.021 6.014 5.996 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.801 5.890 5.953 5.994 6.015 6.021 6.014 5.996 5.968 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.797 5.888 5.952 5.993 6.014 6.020 6.013 5.995 5.968 5.931 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.791 5.884 5.950 5.991 6.013 6.019 6.012 5.995 5.967 5.931 5.885 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.783 5.880 5.947 5.989 6.012 6.018 6.011 5.994 5.967 5.931 5.885 5.828 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.773 5.874 5.943 5.986 6.009 6.016 6.010 5.993 5.966 5.930 5.885 5.829 5.752 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.759 5.866 5.938 5.983 6.007 6.014 6.008 5.991 5.965 5.930 5.885 5.830 5.758 5.643 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.741 5.856 5.932 5.979 6.004 6.012 6.006 5.990 5.964 5.929 5.886 5.832 5.763 5.663 5.446 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.726 5.849 5.927 5.975 6.001 6.010 6.005 5.989 5.963 5.929 5.886 5.833 5.766 5.674 5.512 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.706 5.838 5.920 5.971 5.998 6.008 6.003 5.988 5.962 5.928 5.886 5.834 5.770 5.686 5.560 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.685 5.827 5.914 5.967 5.996 6.006 6.002 5.987 5.962 5.928 5.886 5.836 5.774 5.694 5.587 4.054 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.664 5.816 5.907 5.963 5.993 6.004 6.001 5.986 5.961 5.928 5.887 5.837 5.776 5.701 5.604 4.887 4.441 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.642 5.805 5.901 5.959 5.991 6.003 6.000 5.985 5.961 5.928 5.888 5.838 5.779 5.706 5.616 5.109 4.893 4.574 4.131 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.621 5.794 5.895 5.956 5.988 6.001 5.999 5.985 5.961 5.929 5.888 5.840 5.782 5.711 5.625 5.222 5.080 4.891 4.638 4.314 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.599 5.784 5.889 5.952 5.987 6.000 5.999 5.985 5.961 5.929 5.889 5.841 5.784 5.715 5.632 5.292 5.186 5.053 4.884 4.672 4.416 4.127 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.577 5.773 5.884 5.949 5.985 6.000 5.999 5.985 5.962 5.930 5.890 5.843 5.786 5.719 5.639 5.343 5.256 5.152 5.027 4.874 4.692 4.479 4.242 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.555 5.763 5.878 5.946 5.983 5.999 5.999 5.986 5.963 5.931 5.892 5.845 5.789 5.723 5.644 5.380 5.307 5.221 5.121 5.003 4.863 4.702 4.519 4.319 4.110 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.533 5.752 5.873 5.943 5.982 5.999 5.999 5.986 5.963 5.932 5.893 5.846 5.791 5.726 5.650 5.410 5.346 5.272 5.188 5.091 4.979 4.851 4.706 4.546 4.372 4.191 4.008 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.511 5.742 5.868 5.941 5.981 5.999 5.999 5.987 5.965 5.934 5.895 5.848 5.794 5.730 5.655 5.435 5.377 5.312 5.239 5.157 5.063 4.957 4.839 4.707 4.563 4.410 4.251 4.089 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.489 5.732 5.862 5.938 5.980 5.999 6.000 5.988 5.966 5.935 5.897 5.851 5.797 5.734 5.661 5.455 5.402 5.344 5.279 5.207 5.127 5.037 4.936 4.826 4.705 4.575 4.438 4.295 4.150 4.005 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.466 5.721 5.858 5.936 5.980 5.999 6.001 5.989 5.967 5.937 5.898 5.853 5.800 5.738 5.666 5.473 5.424 5.371 5.312 5.248 5.176 5.098 5.011 4.916 4.813 4.701 4.582 4.458 4.329 4.198 4.066 99999.999 99999.999 99999.999 99999.999 99999.999 5.443 5.711 5.853 5.934 5.979 5.999 6.002 5.991 5.969 5.938 5.901 5.855 5.803 5.742 5.671 5.488 5.443 5.393 5.340 5.281 5.217 5.147 5.070 4.987 4.897 4.799 4.696 4.586 4.472 4.354 4.235 4.115 3.995 99999.999 99999.999 99999.999 5.421 5.701 5.848 5.932 5.979 6.000 6.003 5.992 5.971 5.940 5.903 5.858 5.806 5.746 5.677 5.502 5.459 5.413 5.363 5.309 5.250 5.187 5.118 5.044 4.964 4.878 4.786 4.689 4.588 4.482 4.374 4.264 4.154 4.044 99999.999 99999.999 5.398 5.691 5.843 5.930 5.979 6.001 6.004 5.994 5.973 5.943 5.905 5.861 5.809 5.750 5.683 5.514 5.473 5.430 5.383 5.333 5.279 5.221 5.158 5.091 5.019 4.942 4.860 4.773 4.682 4.587 4.489 4.389 4.288 4.186 4.083 3.982 5.375 5.681 5.839 5.929 5.979 6.002 6.006 5.996 5.975 5.945 5.908 5.864 5.813 5.754 5.688 5.525 5.486 5.445 5.401 5.354 5.303 5.250 5.192 5.131 5.065 4.995 4.921 4.842 4.760 4.674 4.585 4.494 4.401 4.306 4.211 4.116 5.138 5.583 5.800 5.920 5.987 6.020 6.030 6.023 6.004 5.976 5.940 5.898 5.849 5.796 5.737 5.604 5.574 5.543 5.512 5.479 5.446 5.411 5.375 5.338 5.299 5.260 5.219 5.177 5.133 5.089 5.043 4.996 4.948 4.899 4.849 4.798 4.893 5.490 5.772 5.924 6.008 6.051 6.067 6.064 6.047 6.019 5.984 5.942 5.894 5.842 5.786 5.662 5.636 5.609 5.581 5.553 5.524 5.495 5.465 5.434 5.403 5.372 5.339 5.307 5.274 5.240 5.206 5.171 5.136 5.100 5.065 5.028 4.640 5.401 5.751 5.937 6.040 6.094 6.115 6.115 6.100 6.073 6.037 5.995 5.947 5.895 5.840 5.719 5.694 5.668 5.642 5.615 5.588 5.561 5.533 5.505 5.477 5.448 5.419 5.390 5.360 5.331 5.301 5.271 5.240 5.210 5.179 5.148 4.383 5.315 5.736 5.958 6.081 6.145 6.173 6.176 6.162 6.135 6.099 6.056 6.007 5.955 5.899 5.778 5.753 5.727 5.701 5.675 5.649 5.622 5.596 5.569 5.541 5.514 5.486 5.458 5.430 5.402 5.374 5.346 5.317 5.289 5.260 5.232 4.120 5.231 5.727 5.986 6.128 6.204 6.238 6.244 6.231 6.204 6.168 6.124 6.074 6.020 5.963 5.841 5.815 5.789 5.764 5.737 5.711 5.685 5.658 5.631 5.604 5.577 5.550 5.522 5.495 5.467 5.440 5.412 5.385 5.357 5.329 5.301 3.854 5.150 5.723 6.020 6.182 6.269 6.309 6.318 6.306 6.280 6.242 6.197 6.146 6.091 6.032 5.907 5.881 5.855 5.829 5.802 5.776 5.749 5.722 5.695 5.668 5.641 5.613 5.586 5.558 5.531 5.503 5.476 5.448 5.421 5.393 5.366 3.586 5.072 5.723 6.059 6.242 6.340 6.386 6.398 6.388 6.361 6.323 6.276 6.223 6.166 6.105 5.977 5.951 5.924 5.897 5.870 5.843 5.816 5.788 5.761 5.733 5.706 5.678 5.650 5.623 5.595 5.567 5.539 5.512 5.484 5.456 5.428 99999.999 4.995 5.726 6.102 6.306 6.416 6.468 6.483 6.473 6.446 6.407 6.359 6.305 6.246 6.183 6.051 6.024 5.996 5.969 5.941 5.913 5.885 5.857 5.829 5.801 5.773 5.745 5.717 5.689 5.660 5.632 5.604 5.576 5.548 5.519 5.491 CH4,aq CH4 P-T:All Charge = 0. Radius(Å) = 9.99 Alk. = 0.000 Ref: Shock07 4 1.000 1 1.000 5 -2.000 31 1.000 2 157.905 144.210 132.395 122.109 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 157.905 144.210 132.395 122.109 113.065 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 157.907 144.211 132.396 122.110 113.066 105.039 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 157.909 144.214 132.399 122.113 113.069 105.042 97.855 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 157.912 144.218 132.403 122.117 113.073 105.046 97.859 91.373 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 157.918 144.224 132.409 122.123 113.079 105.052 97.866 91.379 85.478 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 157.926 144.234 132.419 122.133 113.089 105.062 97.875 91.389 85.488 80.075 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 157.938 144.247 132.433 122.147 113.102 105.075 97.889 91.403 85.503 80.092 75.082 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 157.955 144.266 132.452 122.166 113.121 105.094 97.908 91.422 85.523 80.114 75.108 70.420 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 157.977 144.291 132.478 122.191 113.147 105.119 97.933 91.448 85.551 80.144 75.143 70.464 66.006 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 158.006 144.324 132.512 122.225 113.180 105.152 97.966 91.482 85.586 80.182 75.187 70.520 66.088 61.726 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 158.043 144.367 132.555 122.268 113.222 105.194 98.008 91.525 85.631 80.231 75.243 70.589 66.185 61.901 57.314 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 158.071 144.400 132.589 122.302 113.255 105.227 98.041 91.558 85.666 80.269 75.286 70.641 66.255 62.017 57.651 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 158.112 144.447 132.637 122.350 113.303 105.274 98.088 91.606 85.715 80.322 75.345 70.712 66.349 62.162 57.968 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 158.152 144.494 132.685 122.397 113.350 105.320 98.135 91.653 85.764 80.374 75.403 70.780 66.436 62.289 58.201 46.729 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 158.191 144.540 132.733 122.445 113.397 105.367 98.181 91.700 85.812 80.425 75.459 70.846 66.518 62.403 58.391 49.706 46.943 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 158.231 144.587 132.781 122.493 113.444 105.413 98.227 91.747 85.860 80.475 75.514 70.909 66.595 62.507 58.552 50.555 48.606 46.301 43.496 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 158.270 144.633 132.828 122.540 113.491 105.460 98.273 91.793 85.908 80.525 75.568 70.970 66.669 62.603 58.693 51.028 49.340 47.507 45.457 43.130 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 158.308 144.679 132.876 122.587 113.537 105.506 98.319 91.839 85.955 80.574 75.621 71.029 66.739 62.692 58.819 51.356 49.793 48.161 46.424 44.543 42.495 40.290 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 158.346 144.724 132.923 122.634 113.584 105.552 98.365 91.885 86.002 80.623 75.673 71.087 66.807 62.776 58.933 51.608 50.119 48.595 47.016 45.360 43.607 41.746 39.785 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 158.384 144.770 132.970 122.682 113.630 105.597 98.410 91.931 86.048 80.671 75.724 71.144 66.872 62.855 59.038 51.814 50.374 48.917 47.431 45.904 44.320 42.668 40.945 39.157 37.325 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 158.422 144.815 133.017 122.728 113.676 105.643 98.455 91.976 86.094 80.719 75.775 71.199 66.934 62.930 59.134 51.988 50.583 49.173 47.749 46.302 44.823 43.303 41.736 40.121 38.466 36.782 35.088 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 158.459 144.860 133.064 122.775 113.723 105.689 98.501 92.021 86.140 80.766 75.824 71.253 66.995 63.002 59.223 52.141 50.762 49.385 48.004 46.613 45.205 43.772 42.310 40.816 39.291 37.740 36.173 34.603 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 158.496 144.905 133.111 122.822 113.769 105.734 98.546 92.066 86.185 80.812 75.873 71.305 67.054 63.070 59.307 52.277 50.919 49.568 48.219 46.868 45.509 44.138 42.750 41.342 39.912 38.463 36.999 35.527 34.057 32.597 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 158.532 144.950 133.158 122.869 113.815 105.779 98.590 92.111 86.230 80.859 75.922 71.357 67.111 63.135 59.386 52.400 51.059 49.728 48.404 47.083 45.762 44.436 43.102 41.756 40.397 39.025 37.642 36.252 34.860 33.474 32.099 99999.999 99999.999 99999.999 99999.999 99999.999 158.568 144.995 133.204 122.915 113.861 105.825 98.635 92.155 86.275 80.905 75.970 71.408 67.166 63.198 59.460 52.513 51.185 49.871 48.567 47.270 45.978 44.686 43.392 42.093 40.788 39.476 38.156 36.832 35.506 34.183 32.867 31.566 30.282 99999.999 99999.999 99999.999 158.604 145.039 133.251 122.962 113.906 105.870 98.680 92.200 86.320 80.950 76.017 71.458 67.221 63.259 59.530 52.618 51.301 50.000 48.713 47.435 46.166 44.901 43.639 42.376 41.113 39.846 38.577 37.305 36.034 34.764 33.501 32.248 31.009 29.789 99999.999 99999.999 158.640 145.084 133.297 123.008 113.952 105.915 98.724 92.244 86.364 80.995 76.064 71.507 67.274 63.318 59.598 52.716 51.409 50.119 48.845 47.583 46.332 45.089 43.852 42.619 41.388 40.158 38.929 37.700 36.473 35.249 34.030 32.820 31.622 30.439 29.274 28.129 158.675 145.128 133.343 123.054 113.998 105.959 98.768 92.288 86.408 81.040 76.110 71.556 67.326 63.375 59.663 52.808 51.509 50.229 48.966 47.718 46.483 45.257 44.041 42.831 41.627 40.426 39.229 38.035 36.844 35.658 34.478 33.305 32.143 30.994 29.860 28.744 159.015 145.562 133.801 123.513 114.450 106.404 99.205 92.720 86.840 81.475 76.554 72.015 67.809 63.892 60.227 53.532 52.280 51.053 49.849 48.669 47.509 46.370 45.249 44.147 43.061 41.992 40.937 39.897 38.871 37.858 36.858 35.871 34.896 33.932 32.981 32.043 159.334 145.984 134.250 123.965 114.896 106.841 99.634 93.142 87.257 81.891 76.972 72.440 68.244 64.344 60.703 54.079 52.846 51.640 50.460 49.305 48.173 47.064 45.977 44.909 43.862 42.834 41.823 40.830 39.854 38.893 37.948 37.018 36.103 35.201 34.313 33.439 159.636 146.397 134.693 124.412 115.337 107.273 100.057 93.557 87.665 82.295 77.374 72.843 68.653 64.760 61.131 54.545 53.322 52.127 50.959 49.816 48.698 47.604 46.533 45.483 44.453 43.444 42.454 41.483 40.529 39.592 38.672 37.768 36.879 36.005 35.145 34.300 159.925 146.803 135.131 124.854 115.775 107.702 100.476 93.966 88.067 82.690 77.765 73.232 69.042 65.153 61.530 54.964 53.747 52.558 51.396 50.261 49.151 48.065 47.003 45.962 44.943 43.945 42.966 42.006 41.065 40.141 39.234 38.344 37.469 36.610 35.766 34.936 160.203 147.203 135.565 125.294 116.210 108.127 100.891 94.371 88.463 83.079 78.148 73.611 69.419 65.530 61.909 55.354 54.139 52.954 51.796 50.665 49.560 48.479 47.421 46.387 45.374 44.381 43.409 42.456 41.522 40.606 39.707 38.825 37.959 37.109 36.274 35.453 160.473 147.599 135.996 125.731 116.642 108.550 101.304 94.773 88.855 83.462 78.524 73.982 69.787 65.896 62.274 55.723 54.510 53.326 52.171 51.042 49.939 48.861 47.806 46.775 45.765 44.777 43.809 42.861 41.931 41.019 40.125 39.248 38.388 37.543 36.713 35.898 160.736 147.991 136.424 126.166 117.072 108.972 101.714 95.172 89.244 83.842 78.896 74.348 70.147 66.252 62.628 56.076 54.864 53.681 52.526 51.399 50.297 49.220 48.168 47.138 46.131 45.144 44.179 43.233 42.306 41.397 40.506 39.632 38.775 37.933 37.107 36.296 99999.999 148.380 136.850 126.599 117.501 109.391 102.122 95.570 89.630 84.219 79.264 74.708 70.501 66.601 62.974 56.418 55.206 54.023 52.868 51.741 50.640 49.564 48.512 47.483 46.476 45.491 44.527 43.582 42.657 41.750 40.861 39.988 39.133 38.293 37.469 36.660 C2H6,aq C2H6 P-T:All Charge = 0. Radius(Å) = 9.99 Alk. = 0.000 Ref: Shock07 4 2.000 1 1.000 2 2.000 5 -3.500 31 278.606 254.503 233.723 215.634 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 278.606 254.503 233.723 215.634 199.727 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 278.608 254.505 233.725 215.636 199.729 185.607 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 278.612 254.509 233.729 215.640 199.732 185.611 172.965 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 278.618 254.516 233.736 215.646 199.738 185.617 172.972 161.556 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 278.629 254.527 233.746 215.656 199.748 185.627 172.981 161.566 151.180 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 278.645 254.543 233.761 215.671 199.763 185.641 172.996 161.581 151.196 141.673 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 278.668 254.565 233.783 215.692 199.784 185.662 173.016 161.602 151.219 141.698 132.889 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 278.699 254.597 233.814 215.722 199.812 185.690 173.045 161.631 151.250 141.732 132.929 124.695 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 278.741 254.638 233.854 215.761 199.851 185.728 173.083 161.670 151.291 141.777 132.982 124.764 116.955 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 278.796 254.693 233.907 215.812 199.900 185.777 173.132 161.721 151.344 141.836 133.050 124.851 117.083 109.486 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 278.866 254.763 233.975 215.878 199.964 185.840 173.195 161.785 151.412 141.909 133.136 124.957 117.233 109.758 101.878 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 278.921 254.817 234.027 215.928 200.014 185.888 173.244 161.835 151.463 141.965 133.200 125.036 117.342 109.937 102.390 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 278.998 254.894 234.102 216.001 200.084 185.957 173.312 161.905 151.536 142.045 133.289 125.145 117.487 110.162 102.877 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 279.076 254.971 234.176 216.072 200.153 186.026 173.381 161.974 151.608 142.122 133.376 125.249 117.621 110.359 103.239 84.430 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 279.153 255.047 234.249 216.143 200.222 186.093 173.448 162.042 151.679 142.197 133.460 125.347 117.747 110.536 103.534 88.839 84.397 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 279.229 255.122 234.322 216.213 200.290 186.160 173.514 162.109 151.748 142.271 133.542 125.442 117.865 110.697 103.785 90.097 86.861 83.102 78.589 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 279.305 255.197 234.394 216.283 200.358 186.226 173.580 162.175 151.817 142.343 133.621 125.534 117.977 110.844 104.005 90.802 87.951 84.894 81.517 77.727 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 279.381 255.272 234.466 216.352 200.425 186.291 173.645 162.241 151.884 142.414 133.698 125.622 118.083 110.981 104.201 91.291 88.626 85.866 82.957 79.839 76.471 72.865 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 279.456 255.345 234.537 216.420 200.491 186.356 173.709 162.305 151.950 142.484 133.774 125.707 118.183 111.109 104.378 91.668 89.113 86.513 83.839 81.058 78.135 75.053 71.822 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 279.530 255.419 234.608 216.488 200.557 186.421 173.773 162.369 152.016 142.552 133.847 125.789 118.280 111.228 104.539 91.976 89.494 86.995 84.460 81.869 79.200 76.435 73.566 70.602 67.570 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 279.605 255.492 234.678 216.556 200.622 186.484 173.836 162.432 152.080 142.620 133.920 125.869 118.372 111.341 104.686 92.238 89.808 87.378 84.934 82.464 79.952 77.385 74.752 72.052 69.292 66.492 63.677 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 279.679 255.564 234.748 216.623 200.687 186.547 173.898 162.495 152.144 142.686 133.990 125.947 118.461 111.447 104.821 92.466 90.076 87.696 85.317 82.930 80.523 78.087 75.612 73.095 70.535 67.939 65.321 62.700 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 279.752 255.636 234.817 216.689 200.751 186.610 173.960 162.557 152.206 142.751 134.059 126.022 118.546 111.548 104.947 92.670 90.310 87.969 85.638 83.311 80.979 78.635 76.271 73.883 71.467 69.027 66.567 64.099 61.636 59.192 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 279.825 255.708 234.886 216.755 200.815 186.672 174.021 162.618 152.268 142.815 134.127 126.096 118.629 111.643 105.064 92.854 90.519 88.208 85.915 83.633 81.357 79.081 76.798 74.503 72.195 69.871 67.535 65.192 62.851 60.520 58.211 99999.999 99999.999 99999.999 99999.999 99999.999 279.898 255.779 234.954 216.821 200.878 186.734 174.081 162.678 152.330 142.878 134.194 126.168 118.708 111.735 105.174 93.022 90.708 88.421 86.158 83.913 81.680 79.455 77.233 75.009 72.781 70.547 68.308 66.065 63.824 61.592 59.375 57.182 55.020 99999.999 99999.999 99999.999 279.971 255.850 235.022 216.886 200.941 186.795 174.141 162.738 152.390 142.940 134.259 126.238 118.786 111.823 105.277 93.177 90.880 88.615 86.376 84.160 81.961 79.777 77.602 75.433 73.268 71.103 68.939 66.777 64.619 62.469 60.332 58.214 56.121 54.060 99999.999 99999.999 280.043 255.920 235.090 216.950 201.003 186.855 174.201 162.797 152.450 143.002 134.323 126.307 118.861 111.907 105.375 93.322 91.040 88.792 86.573 84.381 82.211 80.059 77.922 75.797 73.680 71.571 69.468 67.370 65.279 63.198 61.129 59.078 57.048 55.044 53.071 51.134 280.115 255.990 235.157 217.015 201.065 186.915 174.260 162.856 152.509 143.063 134.387 126.374 118.934 111.989 105.469 93.457 91.188 88.955 86.754 84.581 82.435 80.310 78.204 76.114 74.038 71.973 69.918 67.873 65.837 63.813 61.803 59.808 57.834 55.882 53.958 52.064 280.816 256.671 235.807 217.636 201.662 187.494 174.826 163.416 153.070 143.633 134.975 126.991 119.592 112.704 106.263 94.504 92.307 90.155 88.046 85.978 83.947 81.954 79.994 78.068 76.172 74.306 72.468 70.656 68.870 67.109 65.372 63.657 61.966 60.297 58.650 57.025 281.492 257.323 236.427 218.226 202.227 188.038 175.355 163.936 153.586 144.151 135.501 127.532 120.156 113.298 106.898 95.259 93.093 90.975 88.904 86.876 84.890 82.944 81.037 79.166 77.331 75.529 73.759 72.020 70.311 68.631 66.978 65.352 63.752 62.178 60.627 59.100 282.147 257.951 237.022 218.791 202.766 188.556 175.857 164.426 154.069 144.631 135.984 128.022 120.658 113.819 107.443 95.872 93.724 91.625 89.573 87.567 85.604 83.683 81.802 79.960 78.154 76.383 74.646 72.942 71.269 69.627 68.014 66.429 64.872 63.340 61.835 60.354 282.787 258.560 237.597 219.336 203.284 189.053 176.336 164.892 154.526 145.083 136.434 128.475 121.118 114.290 107.928 96.400 94.262 92.175 90.135 88.142 86.194 84.288 82.422 80.596 78.807 77.055 75.337 73.653 72.001 70.381 68.790 67.228 65.694 64.188 62.707 61.252 283.414 259.153 238.155 219.863 203.786 189.533 176.798 165.339 154.963 145.512 136.860 128.900 121.546 114.724 108.371 96.870 94.739 92.659 90.628 88.644 86.704 84.807 82.952 81.137 79.359 77.618 75.913 74.242 72.603 70.996 69.419 67.872 66.353 64.861 63.396 61.957 284.032 259.734 238.700 220.377 204.273 189.998 177.244 165.770 155.382 145.923 137.266 129.303 121.949 115.129 108.782 97.298 95.172 93.097 91.071 89.093 87.159 85.269 83.421 81.612 79.842 78.109 76.412 74.749 73.119 71.521 69.954 68.416 66.907 65.426 63.971 62.542 284.641 260.306 239.234 220.879 204.748 190.450 177.678 166.189 155.788 146.320 137.655 129.689 122.332 115.513 109.167 97.695 95.572 93.500 91.478 89.503 87.574 85.688 83.844 82.041 80.276 78.549 76.857 75.200 73.576 71.984 70.423 68.892 67.390 65.915 64.468 63.046 99999.999 260.868 239.758 221.370 205.213 190.892 178.101 166.596 156.182 146.703 138.031 130.059 122.699 115.878 109.533 98.067 95.945 93.876 91.856 89.884 87.957 86.075 84.234 82.434 80.673 78.949 77.261 75.608 73.988 72.401 70.845 69.318 67.821 66.351 64.908 63.491 C2H6,aq C2H6 P-T:All Charge = 0. Radius(Å) = 9.99 Alk. = 0.000 Ref: Shock07 5 0.250 1 1.750 6 2.000 5 1.000 2 -1.750 4 12.433 12.449 12.455 12.435 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.433 12.449 12.455 12.435 12.391 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.432 12.448 12.454 12.435 12.391 12.326 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.431 12.447 12.453 12.434 12.390 12.325 12.244 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.428 12.445 12.451 12.432 12.389 12.324 12.242 12.147 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.424 12.442 12.448 12.430 12.386 12.322 12.240 12.145 12.038 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.419 12.437 12.444 12.426 12.383 12.318 12.237 12.142 12.036 11.920 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.410 12.430 12.438 12.420 12.377 12.313 12.232 12.137 12.031 11.916 11.794 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.399 12.421 12.430 12.413 12.370 12.307 12.226 12.131 12.025 11.911 11.789 11.659 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.384 12.408 12.418 12.402 12.361 12.298 12.217 12.123 12.018 11.903 11.781 11.652 11.512 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.364 12.391 12.403 12.389 12.348 12.286 12.206 12.112 12.007 11.893 11.772 11.643 11.505 11.341 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.338 12.369 12.384 12.371 12.332 12.271 12.192 12.098 11.994 11.881 11.760 11.632 11.495 11.341 11.110 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.317 12.352 12.369 12.358 12.319 12.259 12.180 12.088 11.984 11.871 11.750 11.623 11.487 11.337 11.146 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.288 12.328 12.348 12.338 12.301 12.242 12.164 12.072 11.969 11.856 11.736 11.609 11.475 11.329 11.163 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.258 12.304 12.326 12.319 12.283 12.225 12.148 12.057 11.954 11.842 11.722 11.596 11.462 11.319 11.163 9.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.229 12.279 12.305 12.299 12.265 12.208 12.132 12.042 11.939 11.828 11.709 11.582 11.449 11.308 11.157 10.406 10.019 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.199 12.255 12.283 12.280 12.247 12.191 12.116 12.026 11.925 11.814 11.695 11.569 11.436 11.296 11.148 10.567 10.364 10.080 9.700 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.170 12.230 12.262 12.260 12.229 12.174 12.100 12.011 11.910 11.800 11.681 11.556 11.423 11.283 11.137 10.640 10.496 10.315 10.084 9.799 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.140 12.206 12.240 12.240 12.211 12.157 12.084 11.996 11.895 11.785 11.667 11.542 11.410 11.271 11.125 10.680 10.564 10.427 10.263 10.065 9.834 9.579 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.110 12.181 12.218 12.221 12.193 12.140 12.068 11.981 11.881 11.771 11.654 11.529 11.398 11.259 11.113 10.704 10.603 10.489 10.359 10.208 10.033 9.836 9.622 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.080 12.156 12.197 12.201 12.175 12.124 12.052 11.965 11.866 11.757 11.640 11.516 11.385 11.246 11.100 10.718 10.627 10.528 10.417 10.292 10.151 9.994 9.821 9.635 9.443 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.050 12.132 12.175 12.182 12.157 12.107 12.036 11.950 11.852 11.743 11.627 11.503 11.372 11.234 11.088 10.726 10.643 10.552 10.454 10.346 10.226 10.095 9.950 9.794 9.629 9.459 9.287 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.020 12.107 12.154 12.162 12.139 12.090 12.020 11.935 11.837 11.729 11.613 11.490 11.359 11.222 11.077 10.730 10.652 10.568 10.478 10.381 10.276 10.161 10.037 9.903 9.760 9.611 9.457 9.301 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.990 12.082 12.132 12.143 12.121 12.073 12.005 11.920 11.823 11.715 11.600 11.477 11.347 11.210 11.066 10.731 10.657 10.578 10.494 10.405 10.309 10.207 10.097 9.979 9.854 9.722 9.584 9.443 9.300 9.156 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.960 12.058 12.110 12.123 12.103 12.056 11.989 11.905 11.808 11.701 11.586 11.464 11.335 11.198 11.055 10.730 10.658 10.583 10.504 10.421 10.333 10.239 10.140 10.034 9.921 9.803 9.680 9.552 9.421 9.288 9.154 99999.999 99999.999 99999.999 99999.999 99999.999 11.929 12.033 12.089 12.104 12.085 12.039 11.973 11.890 11.794 11.687 11.573 11.451 11.322 11.187 11.044 10.728 10.658 10.586 10.511 10.432 10.349 10.262 10.170 10.073 9.971 9.864 9.751 9.635 9.515 9.392 9.268 9.143 9.018 99999.999 99999.999 99999.999 11.899 12.008 12.067 12.084 12.067 12.023 11.957 11.875 11.779 11.674 11.559 11.438 11.310 11.175 11.034 10.724 10.656 10.586 10.514 10.438 10.360 10.278 10.192 10.102 10.007 9.909 9.806 9.699 9.588 9.475 9.360 9.242 9.125 9.006 99999.999 99999.999 11.869 11.983 12.045 12.064 12.049 12.006 11.941 11.860 11.765 11.660 11.546 11.425 11.298 11.164 11.024 10.718 10.653 10.585 10.515 10.442 10.367 10.289 10.207 10.123 10.035 9.943 9.847 9.748 9.646 9.540 9.433 9.323 9.212 9.101 8.988 8.876 11.838 11.958 12.024 12.045 12.031 11.989 11.925 11.845 11.751 11.646 11.533 11.412 11.286 11.153 11.013 10.712 10.648 10.582 10.514 10.443 10.371 10.296 10.219 10.138 10.055 9.968 9.879 9.786 9.690 9.592 9.491 9.389 9.284 9.179 9.072 8.966 11.531 11.709 11.807 11.850 11.852 11.822 11.768 11.696 11.608 11.509 11.401 11.285 11.164 11.037 10.905 10.629 10.572 10.514 10.455 10.396 10.336 10.275 10.214 10.152 10.089 10.025 9.961 9.895 9.829 9.763 9.695 9.627 9.558 9.488 9.417 9.346 11.220 11.458 11.590 11.655 11.673 11.656 11.613 11.548 11.468 11.374 11.271 11.160 11.043 10.921 10.794 10.530 10.475 10.421 10.365 10.310 10.254 10.198 10.141 10.084 10.027 9.970 9.912 9.854 9.796 9.738 9.679 9.620 9.561 9.502 9.442 9.383 10.905 11.207 11.372 11.461 11.496 11.492 11.459 11.403 11.329 11.242 11.144 11.037 10.924 10.805 10.682 10.427 10.374 10.321 10.268 10.215 10.161 10.107 10.053 9.999 9.944 9.889 9.835 9.780 9.725 9.670 9.614 9.559 9.504 9.449 9.394 9.339 10.588 10.955 11.156 11.267 11.319 11.329 11.306 11.259 11.192 11.111 11.018 10.916 10.807 10.692 10.573 10.323 10.272 10.221 10.169 10.117 10.065 10.013 9.960 9.907 9.854 9.801 9.748 9.695 9.642 9.588 9.535 9.482 9.429 9.376 9.323 9.270 10.270 10.702 10.939 11.074 11.144 11.166 11.154 11.116 11.057 10.982 10.894 10.797 10.692 10.581 10.464 10.221 10.171 10.121 10.071 10.020 9.969 9.917 9.866 9.814 9.763 9.711 9.659 9.607 9.555 9.503 9.451 9.399 9.347 9.295 9.243 9.191 9.950 10.450 10.723 10.882 10.969 11.005 11.004 10.974 10.923 10.854 10.772 10.679 10.578 10.471 10.358 10.121 10.072 10.023 9.973 9.923 9.873 9.823 9.773 9.722 9.671 9.620 9.569 9.518 9.467 9.416 9.365 9.314 9.263 9.212 9.161 9.110 9.629 10.197 10.507 10.691 10.795 10.845 10.854 10.834 10.790 10.728 10.651 10.563 10.466 10.362 10.253 10.022 9.974 9.926 9.877 9.828 9.779 9.730 9.680 9.631 9.581 9.531 9.481 9.430 9.380 9.330 9.279 9.229 9.179 9.129 9.078 9.028 99999.999 9.945 10.292 10.500 10.622 10.685 10.706 10.694 10.658 10.602 10.531 10.448 10.356 10.256 10.149 9.924 9.877 9.830 9.782 9.735 9.686 9.638 9.589 9.540 9.491 9.442 9.393 9.343 9.294 9.244 9.195 9.145 9.095 9.046 8.996 8.947 C3H8,aq C3H8 P-T:All Charge = 0. Radius(Å) = 9.99 Alk. = 0.000 Ref: Shock07 4 3.000 1 1.000 2 3.000 5 -5.000 31 397.464 363.088 333.460 307.681 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 397.464 363.088 333.460 307.681 285.020 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 397.467 363.091 333.463 307.683 285.023 264.916 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 397.473 363.096 333.468 307.689 285.028 264.921 246.922 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 397.482 363.106 333.477 307.697 285.037 264.929 246.930 230.687 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 397.497 363.120 333.492 307.711 285.050 264.943 246.944 230.701 215.927 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 397.519 363.143 333.513 307.732 285.071 264.963 246.964 230.722 215.950 202.404 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 397.551 363.174 333.544 307.762 285.100 264.992 246.993 230.752 215.982 202.440 189.909 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 397.595 363.218 333.586 307.803 285.140 265.031 247.033 230.794 216.026 202.489 189.968 178.250 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 397.654 363.276 333.642 307.857 285.193 265.084 247.087 230.849 216.084 202.554 190.045 178.351 167.228 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 397.730 363.352 333.716 307.928 285.263 265.153 247.156 230.920 216.160 202.637 190.143 178.477 167.416 156.575 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 397.829 363.449 333.810 308.019 285.352 265.241 247.245 231.011 216.256 202.743 190.266 178.633 167.638 156.978 145.684 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 397.905 363.524 333.882 308.090 285.420 265.309 247.313 231.081 216.330 202.824 190.359 178.748 167.797 157.243 146.446 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 398.013 363.631 333.986 308.190 285.518 265.405 247.409 231.180 216.434 202.937 190.488 178.906 168.010 157.576 147.170 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 398.121 363.737 334.089 308.289 285.614 265.500 247.505 231.277 216.536 203.047 190.613 179.056 168.207 157.867 147.707 120.504 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 398.228 363.843 334.190 308.387 285.710 265.594 247.599 231.373 216.636 203.155 190.734 179.200 168.391 158.127 148.144 127.073 120.605 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 398.334 363.947 334.291 308.485 285.805 265.688 247.692 231.468 216.734 203.260 190.851 179.338 168.563 158.364 148.517 128.946 124.276 118.824 112.244 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 398.440 364.051 334.391 308.581 285.899 265.780 247.784 231.561 216.831 203.363 190.965 179.470 168.726 158.581 148.842 129.994 125.900 121.494 116.608 111.103 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 398.545 364.154 334.490 308.677 285.991 265.871 247.875 231.653 216.926 203.464 191.076 179.597 168.881 158.782 149.132 130.722 126.905 122.942 118.753 114.251 109.372 104.133 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 398.649 364.256 334.589 308.772 286.083 265.961 247.964 231.744 217.020 203.563 191.184 179.720 169.028 158.969 149.393 131.282 127.629 123.905 120.068 116.066 111.851 107.396 102.714 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 398.752 364.357 334.686 308.866 286.175 266.051 248.053 231.834 217.112 203.660 191.290 179.839 169.168 159.144 149.630 131.739 128.195 124.621 120.991 117.274 113.438 109.455 105.314 101.029 96.640 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 398.855 364.458 334.783 308.959 286.265 266.139 248.141 231.922 217.203 203.756 191.393 179.954 169.302 159.309 149.847 132.127 128.661 125.190 121.697 118.160 114.558 110.871 107.083 103.191 99.208 95.161 91.091 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 398.957 364.558 334.879 309.051 286.355 266.227 248.228 232.010 217.293 203.850 191.494 180.066 169.430 159.464 150.046 132.466 129.058 125.663 122.266 118.853 115.408 111.916 108.365 104.746 101.060 97.319 93.542 89.758 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 399.059 364.657 334.975 309.143 286.444 266.314 248.314 232.096 217.381 203.942 191.592 180.175 169.554 159.611 150.231 132.767 129.406 126.068 122.743 119.420 116.087 112.732 109.346 105.919 102.450 98.941 95.400 91.845 88.294 84.770 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 399.160 364.756 335.070 309.234 286.532 266.400 248.399 232.182 217.469 204.033 191.689 180.280 169.673 159.750 150.402 133.039 129.715 126.423 123.154 119.899 116.650 113.396 110.130 106.844 103.534 100.200 96.844 93.475 90.106 86.751 83.426 99999.999 99999.999 99999.999 99999.999 99999.999 399.260 364.854 335.164 309.325 286.619 266.485 248.484 232.267 217.555 204.123 191.784 180.384 169.789 159.884 150.563 133.288 129.994 126.739 123.515 120.314 117.129 113.953 110.777 107.597 104.408 101.207 97.995 94.777 91.558 88.349 85.162 82.007 78.898 99999.999 99999.999 99999.999 399.360 364.951 335.257 309.415 286.706 266.570 248.567 232.350 217.640 204.211 191.877 180.484 169.900 160.011 150.714 133.517 130.250 127.025 123.838 120.681 117.547 114.431 111.327 108.229 105.132 102.035 98.937 95.838 92.743 89.657 86.589 83.547 80.541 77.580 99999.999 99999.999 399.460 365.048 335.350 309.504 286.792 266.654 248.650 232.433 217.724 204.298 191.969 180.583 170.009 160.134 150.857 133.730 130.485 127.287 124.130 121.009 117.917 114.850 111.803 108.769 105.747 102.732 99.724 96.721 93.727 90.744 87.778 84.836 81.923 79.048 76.217 73.436 399.559 365.145 335.442 309.592 286.878 266.738 248.733 232.515 217.807 204.384 192.059 180.679 170.115 160.253 150.994 133.930 130.704 127.528 124.397 121.306 118.250 115.223 112.222 109.241 106.279 103.330 100.394 97.470 94.559 91.662 88.783 85.925 83.095 80.298 77.540 74.825 400.520 366.078 336.335 310.447 287.701 267.537 249.518 233.296 218.593 205.187 192.892 181.558 171.059 161.285 152.147 135.466 132.349 129.296 126.303 123.368 120.487 117.657 114.875 112.140 109.447 106.797 104.185 101.611 99.072 96.568 94.098 91.660 89.253 86.878 84.535 82.222 401.440 366.966 337.181 311.254 288.476 268.287 250.250 234.018 219.313 205.913 193.634 182.325 171.861 162.137 153.062 136.565 133.496 130.494 127.559 124.685 121.871 119.113 116.410 113.759 111.157 108.603 106.094 103.630 101.207 98.825 96.482 94.176 91.907 89.674 87.475 85.310 402.327 367.818 337.990 312.025 289.213 268.998 250.941 234.695 219.983 206.583 194.311 183.016 172.574 162.879 153.842 137.452 134.409 131.437 128.532 125.691 122.913 120.193 117.530 114.921 112.364 109.858 107.399 104.987 102.619 100.295 98.011 95.768 93.563 91.395 89.264 87.167 403.189 368.641 338.770 312.765 289.920 269.677 251.599 235.337 220.615 207.210 194.939 183.652 173.222 163.545 154.533 138.210 135.184 132.230 129.344 126.524 123.767 121.070 118.432 115.848 113.318 110.840 108.410 106.029 103.693 101.401 99.151 96.943 94.774 92.644 90.550 88.493 404.030 369.441 339.525 313.480 290.602 270.331 252.230 235.950 221.217 207.804 195.531 184.245 173.822 164.157 155.160 138.882 135.868 132.925 130.052 127.246 124.503 121.821 119.198 116.631 114.119 111.658 109.248 106.885 104.570 102.299 100.071 97.885 95.739 93.631 91.562 89.529 404.855 370.221 340.259 314.174 291.262 270.963 252.838 236.541 221.793 208.372 196.093 184.806 174.385 164.726 155.740 139.492 136.485 133.551 130.686 127.889 125.156 122.485 119.872 117.317 114.816 112.368 109.970 107.621 105.319 103.062 100.849 98.678 96.547 94.455 92.402 90.385 405.666 370.986 340.976 314.850 291.904 271.576 253.428 237.112 222.349 208.916 196.630 185.339 174.919 165.262 156.281 140.054 137.052 134.123 131.265 128.474 125.748 123.084 120.479 117.932 115.439 113.000 110.611 108.271 105.979 103.732 101.529 99.368 97.248 95.167 93.125 91.119 99999.999 371.737 341.678 315.511 292.530 272.174 254.002 237.666 222.887 209.442 197.147 185.851 175.427 165.771 156.793 140.578 137.580 134.655 131.801 129.015 126.293 123.634 121.035 118.493 116.006 113.573 111.191 108.858 106.572 104.332 102.136 99.983 97.870 95.797 93.763 91.765 C3H8,aq C3H8 P-T:All Charge = 0. Radius(Å) = 9.99 Alk. = 0.000 Ref: Shock07 5 0.500 1 2.500 6 3.000 5 1.000 2 -2.500 4 17.217 17.296 17.362 17.397 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.217 17.296 17.362 17.397 17.399 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.216 17.295 17.361 17.396 17.398 17.371 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.214 17.293 17.360 17.394 17.396 17.370 17.319 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.211 17.290 17.357 17.392 17.394 17.368 17.317 17.245 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.205 17.285 17.352 17.388 17.390 17.364 17.314 17.242 17.153 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.196 17.277 17.346 17.382 17.385 17.359 17.309 17.238 17.149 17.043 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.184 17.267 17.336 17.373 17.377 17.351 17.302 17.231 17.143 17.038 16.916 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.167 17.252 17.323 17.361 17.365 17.341 17.292 17.222 17.134 17.030 16.910 16.770 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.143 17.232 17.305 17.345 17.350 17.327 17.279 17.210 17.123 17.020 16.900 16.763 16.595 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.113 17.206 17.282 17.323 17.331 17.309 17.262 17.194 17.108 17.006 16.888 16.753 16.591 16.368 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.074 17.172 17.252 17.296 17.305 17.285 17.240 17.173 17.088 16.988 16.872 16.739 16.583 16.382 16.015 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.043 17.146 17.228 17.274 17.286 17.267 17.222 17.157 17.073 16.974 16.859 16.728 16.576 16.387 16.097 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.998 17.108 17.194 17.244 17.257 17.240 17.198 17.134 17.052 16.954 16.841 16.712 16.564 16.386 16.149 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.953 17.070 17.161 17.213 17.229 17.214 17.173 17.110 17.030 16.933 16.822 16.696 16.551 16.381 16.170 13.817 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.908 17.032 17.127 17.182 17.200 17.187 17.148 17.087 17.008 16.913 16.803 16.679 16.537 16.373 16.178 15.025 14.351 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.863 16.994 17.093 17.151 17.172 17.161 17.123 17.064 16.986 16.893 16.784 16.661 16.522 16.363 16.178 15.331 14.995 14.507 13.831 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.818 16.955 17.059 17.120 17.143 17.134 17.099 17.041 16.964 16.872 16.765 16.644 16.507 16.352 16.173 15.477 15.250 14.953 14.562 14.063 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.772 16.917 17.024 17.089 17.115 17.108 17.074 17.017 16.942 16.852 16.746 16.627 16.492 16.339 16.166 15.563 15.387 15.171 14.904 14.573 14.175 13.725 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.726 16.878 16.990 17.058 17.086 17.081 17.049 16.994 16.921 16.831 16.727 16.609 16.476 16.326 16.157 15.618 15.472 15.299 15.095 14.852 14.563 14.229 13.858 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.680 16.839 16.956 17.027 17.058 17.055 17.024 16.971 16.899 16.810 16.708 16.591 16.460 16.313 16.147 15.656 15.528 15.383 15.215 15.022 14.797 14.540 14.250 13.934 13.601 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.634 16.801 16.922 16.996 17.029 17.028 16.999 16.948 16.877 16.790 16.689 16.574 16.444 16.299 16.136 15.682 15.567 15.440 15.296 15.134 14.950 14.742 14.508 14.251 13.975 13.685 13.390 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.588 16.762 16.888 16.965 17.001 17.002 16.975 16.924 16.855 16.769 16.669 16.556 16.428 16.286 16.125 15.700 15.595 15.480 15.353 15.212 15.055 14.880 14.686 14.472 14.240 13.993 13.736 13.474 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.541 16.723 16.853 16.934 16.972 16.975 16.950 16.901 16.833 16.749 16.650 16.538 16.412 16.272 16.114 15.712 15.615 15.509 15.394 15.269 15.130 14.978 14.812 14.629 14.431 14.220 13.996 13.765 13.528 13.290 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.495 16.684 16.819 16.903 16.944 16.949 16.925 16.878 16.811 16.728 16.631 16.520 16.396 16.258 16.103 15.720 15.629 15.530 15.425 15.310 15.186 15.051 14.904 14.745 14.573 14.388 14.193 13.989 13.777 13.562 13.345 99999.999 99999.999 99999.999 99999.999 99999.999 16.448 16.645 16.784 16.872 16.915 16.922 16.900 16.855 16.789 16.707 16.611 16.502 16.380 16.244 16.092 15.724 15.638 15.546 15.447 15.341 15.228 15.105 14.973 14.831 14.679 14.516 14.343 14.162 13.973 13.779 13.581 13.381 13.181 99999.999 99999.999 99999.999 16.401 16.606 16.750 16.841 16.887 16.896 16.876 16.831 16.767 16.687 16.592 16.484 16.364 16.230 16.081 15.726 15.643 15.556 15.463 15.365 15.259 15.147 15.027 14.898 14.761 14.615 14.460 14.297 14.128 13.952 13.772 13.588 13.403 13.217 99999.999 99999.999 16.354 16.567 16.716 16.809 16.858 16.869 16.851 16.808 16.745 16.666 16.573 16.466 16.347 16.215 16.069 15.725 15.646 15.563 15.475 15.382 15.283 15.179 15.068 14.950 14.824 14.692 14.551 14.404 14.250 14.091 13.926 13.758 13.587 13.414 13.241 13.068 16.307 16.527 16.681 16.778 16.829 16.843 16.826 16.785 16.723 16.646 16.553 16.448 16.331 16.201 16.058 15.723 15.647 15.567 15.483 15.395 15.302 15.203 15.100 14.990 14.874 14.752 14.624 14.489 14.349 14.203 14.052 13.897 13.739 13.579 13.418 13.255 15.827 16.132 16.334 16.466 16.543 16.578 16.579 16.553 16.505 16.439 16.358 16.265 16.161 16.046 15.922 15.644 15.584 15.523 15.459 15.394 15.327 15.259 15.189 15.116 15.043 14.967 14.889 14.810 14.728 14.645 14.560 14.473 14.385 14.294 14.203 14.110 15.337 15.731 15.985 16.153 16.257 16.313 16.332 16.321 16.286 16.232 16.163 16.080 15.986 15.883 15.771 15.523 15.470 15.416 15.361 15.305 15.248 15.190 15.131 15.070 15.010 14.948 14.885 14.821 14.757 14.691 14.625 14.558 14.491 14.423 14.354 14.284 14.839 15.327 15.634 15.839 15.971 16.049 16.086 16.090 16.069 16.027 15.968 15.895 15.810 15.716 15.613 15.387 15.338 15.289 15.239 15.188 15.136 15.084 15.031 14.977 14.922 14.867 14.811 14.755 14.698 14.641 14.583 14.525 14.466 14.407 14.348 14.289 14.334 14.920 15.283 15.524 15.685 15.785 15.841 15.861 15.853 15.822 15.774 15.710 15.634 15.549 15.454 15.244 15.199 15.153 15.107 15.060 15.012 14.963 14.914 14.864 14.814 14.763 14.711 14.659 14.607 14.555 14.502 14.448 14.395 14.341 14.287 14.232 13.824 14.511 14.930 15.210 15.399 15.522 15.596 15.632 15.637 15.618 15.580 15.526 15.459 15.381 15.294 15.099 15.057 15.014 14.970 14.926 14.881 14.835 14.789 14.742 14.695 14.647 14.599 14.550 14.501 14.452 14.402 14.352 14.302 14.251 14.201 14.150 13.309 14.100 14.577 14.896 15.113 15.259 15.352 15.403 15.422 15.415 15.388 15.343 15.284 15.214 15.134 14.953 14.913 14.873 14.832 14.790 14.748 14.705 14.661 14.617 14.572 14.526 14.481 14.434 14.388 14.341 14.294 14.246 14.198 14.150 14.102 14.054 12.791 13.688 14.223 14.581 14.828 14.997 15.109 15.176 15.208 15.213 15.196 15.160 15.110 15.048 14.975 14.806 14.769 14.731 14.692 14.653 14.613 14.572 14.531 14.488 14.446 14.403 14.359 14.315 14.271 14.226 14.181 14.135 14.089 14.043 13.997 13.951 99999.999 13.275 13.870 14.267 14.544 14.736 14.866 14.949 14.995 15.012 15.005 14.979 14.937 14.882 14.816 14.660 14.625 14.589 14.553 14.516 14.478 14.439 14.399 14.359 14.319 14.278 14.236 14.194 14.151 14.108 14.065 14.021 13.977 13.933 13.888 13.844 C4H10,aq C4H10 P-T:All Charge = 0. Radius(Å) = 9.99 Alk. = 0.000 Ref: Shock07 4 4.000 1 1.000 2 4.000 5 -6.500 31 516.353 471.728 433.240 399.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 516.353 471.728 433.240 399.749 370.319 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 516.357 471.732 433.243 399.753 370.323 344.217 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 516.364 471.739 433.250 399.760 370.329 344.223 320.863 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 516.377 471.751 433.262 399.771 370.340 344.234 320.875 299.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 516.396 471.771 433.281 399.789 370.358 344.252 320.893 299.819 280.655 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 516.425 471.800 433.309 399.816 370.385 344.278 320.920 299.847 280.685 263.115 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 516.467 471.841 433.349 399.855 370.423 344.316 320.958 299.887 280.728 263.163 246.907 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 516.524 471.898 433.404 399.909 370.475 344.369 321.011 299.942 280.787 263.230 246.986 231.774 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 516.601 471.974 433.477 399.980 370.545 344.438 321.081 300.015 280.865 263.317 247.091 231.911 217.447 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 516.701 472.072 433.573 400.073 370.636 344.528 321.173 300.109 280.966 263.429 247.224 232.084 217.706 203.563 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 516.830 472.199 433.696 400.192 370.753 344.644 321.289 300.230 281.094 263.571 247.390 232.295 218.011 204.123 189.273 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 516.929 472.297 433.791 400.284 370.843 344.733 321.379 300.322 281.192 263.679 247.515 232.452 218.230 204.490 190.341 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 517.071 472.437 433.926 400.415 370.970 344.859 321.506 300.453 281.330 263.830 247.689 232.667 218.522 204.949 191.351 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 517.211 472.575 434.059 400.544 371.097 344.984 321.632 300.582 281.466 263.978 247.858 232.871 218.791 205.351 192.099 155.600 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 517.351 472.712 434.192 400.672 371.222 345.108 321.756 300.709 281.599 264.122 248.020 233.066 219.042 205.710 192.705 164.886 156.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 517.489 472.848 434.323 400.799 371.346 345.230 321.878 300.834 281.730 264.263 248.178 233.253 219.278 206.035 193.220 167.531 161.300 153.956 145.017 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 517.626 472.983 434.453 400.925 371.468 345.351 321.999 300.957 281.858 264.400 248.331 233.432 219.500 206.333 193.669 169.008 163.591 157.726 151.176 143.746 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 517.762 473.116 434.582 401.050 371.589 345.470 322.119 301.079 281.984 264.535 248.480 233.604 219.710 206.608 194.068 170.031 165.007 159.768 154.202 148.187 141.635 134.574 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 517.898 473.249 434.710 401.173 371.709 345.588 322.237 301.199 282.109 264.667 248.626 233.770 219.910 206.865 194.427 170.816 166.024 161.124 156.055 150.747 145.132 139.171 132.887 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 518.032 473.381 434.837 401.295 371.828 345.705 322.353 301.317 282.231 264.797 248.767 233.930 220.101 207.104 194.753 171.456 166.818 162.130 157.355 152.449 147.368 142.073 136.550 130.818 124.937 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 518.166 473.511 434.962 401.417 371.946 345.821 322.469 301.434 282.352 264.924 248.905 234.086 220.283 207.328 195.051 171.998 167.471 162.929 158.347 153.696 148.945 144.067 139.041 133.863 128.551 123.146 117.703 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 518.298 473.641 435.087 401.537 372.063 345.936 322.583 301.549 282.470 265.049 249.040 234.236 220.457 207.540 195.325 172.471 168.026 163.591 159.145 154.669 150.141 145.539 140.847 136.053 131.160 126.183 121.151 116.105 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 518.430 473.770 435.211 401.656 372.179 346.050 322.696 301.663 282.587 265.172 249.172 234.382 220.625 207.740 195.578 172.890 168.511 164.157 159.813 155.465 151.094 146.687 142.227 137.705 133.117 128.466 123.767 119.041 114.318 109.627 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 518.561 473.898 435.334 401.775 372.294 346.162 322.807 301.776 282.703 265.293 249.302 234.525 220.786 207.930 195.813 173.268 168.941 164.652 160.388 156.136 151.884 147.619 143.329 139.006 134.642 130.238 125.799 121.336 116.867 112.414 107.999 99999.999 99999.999 99999.999 99999.999 99999.999 518.691 474.025 435.456 401.892 372.408 346.274 322.918 301.887 282.817 265.412 249.429 234.663 220.942 208.112 196.033 173.613 169.330 165.093 160.892 156.716 152.555 148.399 144.239 140.064 135.871 131.655 127.419 123.167 118.910 114.663 110.440 106.260 102.138 99999.999 99999.999 99999.999 518.820 474.151 435.577 402.009 372.521 346.384 323.028 301.997 282.929 265.529 249.553 234.799 221.093 208.285 196.240 173.931 169.685 165.491 161.342 157.228 153.140 149.070 145.009 140.951 136.889 132.820 128.743 124.660 120.577 116.503 112.448 108.426 104.450 100.532 99999.999 99999.999 518.948 474.276 435.698 402.125 372.633 346.494 323.136 302.106 283.041 265.644 249.675 234.931 221.239 208.452 196.435 174.226 170.011 165.855 161.749 157.685 153.657 149.656 145.676 141.709 137.752 133.799 129.849 125.902 121.961 118.032 114.121 110.238 106.393 102.597 98.858 95.186 519.076 474.400 435.817 402.239 372.744 346.603 323.244 302.214 283.150 265.758 249.795 235.060 221.382 208.613 196.622 174.502 170.315 166.190 162.121 158.100 154.121 150.177 146.262 142.370 138.497 134.638 130.791 126.955 123.131 119.323 115.534 111.771 108.043 104.356 100.719 97.139 520.314 475.604 436.970 403.346 373.813 347.644 324.270 303.237 284.185 266.820 250.903 236.235 222.650 210.009 198.190 176.614 172.580 168.629 164.756 160.955 157.225 153.559 149.955 146.409 142.919 139.481 136.092 132.750 129.453 126.200 122.989 119.819 116.688 113.598 110.546 107.535 521.492 476.745 438.060 404.388 374.816 348.617 325.222 304.180 285.129 267.776 251.884 237.254 223.723 211.152 199.425 178.111 174.145 170.268 166.476 162.763 159.127 155.564 152.071 148.645 145.282 141.981 138.738 135.551 132.418 129.338 126.307 123.324 120.388 117.498 114.652 111.849 522.623 477.836 439.099 405.380 375.767 349.537 326.119 305.062 286.004 268.655 252.775 238.168 224.669 212.142 200.471 179.310 175.383 171.548 167.799 164.134 160.549 157.040 153.604 150.238 146.939 143.706 140.534 137.421 134.366 131.367 128.421 125.526 122.680 119.883 117.133 114.427 523.717 478.886 440.097 406.330 376.676 350.413 326.970 305.895 286.828 269.476 253.600 239.006 225.527 213.028 201.393 180.331 176.429 172.619 168.898 165.262 161.708 158.232 154.830 151.501 148.240 145.046 141.916 138.847 135.837 132.885 129.987 127.141 124.348 121.603 118.906 116.256 524.781 479.903 441.060 407.245 377.551 351.254 327.784 306.689 287.609 270.250 254.374 239.785 226.318 213.837 202.226 181.231 177.345 173.553 169.851 166.234 162.701 159.246 155.867 152.562 149.326 146.158 143.055 140.014 137.033 134.110 131.243 128.429 125.668 122.957 120.294 117.678 525.821 480.894 441.995 408.131 378.396 352.065 328.568 307.452 288.356 270.987 255.107 240.518 227.058 214.588 202.993 182.044 178.169 174.389 170.700 167.097 163.578 160.138 156.775 153.486 150.268 147.117 144.033 141.011 138.050 135.147 132.301 129.509 126.769 124.080 121.440 118.848 526.842 481.861 442.906 408.993 379.217 352.851 329.326 308.187 289.074 271.693 255.806 241.215 227.756 215.293 203.707 182.791 178.924 175.152 171.472 167.879 164.370 160.941 157.589 154.312 151.106 147.968 144.896 141.888 138.941 136.052 133.221 130.444 127.720 125.047 122.423 119.846 99999.999 482.811 443.796 409.833 380.016 353.616 330.061 308.900 289.768 272.373 256.477 241.880 228.421 215.960 204.380 183.485 179.624 175.858 172.184 168.598 165.096 161.675 158.332 155.063 151.865 148.737 145.674 142.676 139.739 136.861 134.040 131.274 128.561 125.899 123.286 120.721 C4H10,aq C4H10 P-T:All Charge = 0. Radius(Å) = 9.99 Alk. = 0.000 Ref: Shock07 5 0.750 1 3.250 6 4.000 5 1.000 2 -3.250 4 22.032 22.199 22.312 22.380 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.032 22.199 22.312 22.380 22.411 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.031 22.197 22.311 22.379 22.410 22.409 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.028 22.195 22.309 22.377 22.408 22.407 22.380 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.024 22.191 22.305 22.374 22.405 22.404 22.377 22.326 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.016 22.185 22.300 22.369 22.400 22.400 22.373 22.323 22.249 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.005 22.175 22.291 22.361 22.393 22.394 22.367 22.317 22.244 22.147 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.989 22.161 22.279 22.350 22.383 22.384 22.359 22.309 22.237 22.141 22.016 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.967 22.142 22.262 22.335 22.369 22.371 22.347 22.299 22.228 22.133 22.011 21.849 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.938 22.117 22.239 22.314 22.350 22.354 22.331 22.284 22.215 22.122 22.003 21.846 21.624 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.899 22.083 22.209 22.287 22.325 22.331 22.310 22.265 22.198 22.108 21.992 21.841 21.634 21.293 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.848 22.040 22.170 22.252 22.293 22.301 22.283 22.240 22.176 22.089 21.977 21.834 21.641 21.348 20.702 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.808 22.006 22.140 22.224 22.268 22.278 22.262 22.221 22.159 22.074 21.965 21.827 21.643 21.376 20.888 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.751 21.957 22.096 22.185 22.232 22.245 22.231 22.193 22.134 22.052 21.948 21.815 21.642 21.403 21.024 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.693 21.907 22.053 22.145 22.195 22.212 22.201 22.165 22.108 22.030 21.930 21.802 21.639 21.420 21.101 16.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.635 21.858 22.009 22.105 22.159 22.179 22.170 22.137 22.083 22.008 21.911 21.788 21.633 21.429 21.148 19.224 17.982 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.576 21.808 21.965 22.065 22.123 22.145 22.139 22.109 22.057 21.985 21.891 21.774 21.625 21.433 21.179 19.832 19.235 18.343 17.081 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.518 21.758 21.921 22.026 22.086 22.112 22.108 22.081 22.032 21.962 21.872 21.758 21.616 21.434 21.199 20.136 19.747 19.223 18.515 17.595 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.458 21.708 21.876 21.986 22.050 22.078 22.078 22.052 22.006 21.939 21.852 21.742 21.605 21.432 21.212 20.324 20.033 19.667 19.199 18.606 17.879 17.043 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.399 21.658 21.832 21.946 22.013 22.045 22.047 22.024 21.980 21.916 21.831 21.725 21.593 21.428 21.220 20.454 20.220 19.937 19.591 19.169 18.657 18.053 17.374 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.339 21.608 21.787 21.905 21.977 22.011 22.016 21.995 21.954 21.892 21.811 21.708 21.581 21.423 21.225 20.548 20.352 20.120 19.846 19.521 19.135 18.683 18.166 17.594 16.987 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.278 21.557 21.743 21.865 21.940 21.977 21.984 21.967 21.927 21.868 21.790 21.691 21.568 21.416 21.227 20.620 20.449 20.253 20.026 19.762 19.455 19.100 18.695 18.242 17.748 17.227 16.692 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.218 21.506 21.698 21.825 21.903 21.943 21.953 21.938 21.901 21.844 21.769 21.673 21.554 21.408 21.228 20.675 20.524 20.353 20.158 19.936 19.682 19.392 19.064 18.697 18.293 17.859 17.403 16.936 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.157 21.455 21.653 21.784 21.866 21.910 21.922 21.909 21.875 21.820 21.747 21.655 21.540 21.399 21.227 20.719 20.583 20.431 20.260 20.068 19.851 19.607 19.333 19.028 18.692 18.329 17.942 17.537 17.122 16.704 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.096 21.404 21.608 21.744 21.829 21.876 21.891 21.880 21.848 21.796 21.726 21.636 21.526 21.390 21.224 20.753 20.629 20.492 20.340 20.170 19.981 19.770 19.536 19.277 18.992 18.684 18.353 18.003 17.640 17.268 16.893 99999.999 99999.999 99999.999 99999.999 99999.999 21.034 21.353 21.563 21.703 21.792 21.842 21.859 21.851 21.822 21.772 21.704 21.618 21.510 21.380 21.221 20.781 20.667 20.541 20.403 20.251 20.083 19.898 19.693 19.469 19.223 18.957 18.672 18.368 18.050 17.721 17.385 17.045 16.706 99999.999 99999.999 99999.999 20.973 21.301 21.518 21.663 21.755 21.808 21.828 21.822 21.795 21.748 21.682 21.598 21.495 21.369 21.217 20.802 20.697 20.581 20.455 20.317 20.166 20.000 19.819 19.621 19.406 19.173 18.923 18.657 18.378 18.086 17.786 17.479 17.170 16.860 99999.999 99999.999 20.911 21.250 21.473 21.622 21.718 21.774 21.797 21.793 21.768 21.723 21.660 21.579 21.479 21.358 21.211 20.820 20.721 20.614 20.497 20.371 20.233 20.083 19.920 19.743 19.552 19.346 19.125 18.890 18.642 18.383 18.114 17.837 17.557 17.273 16.990 16.707 20.848 21.198 21.427 21.581 21.681 21.740 21.765 21.764 21.741 21.699 21.638 21.560 21.463 21.346 21.205 20.833 20.740 20.640 20.532 20.415 20.288 20.151 20.003 19.844 19.671 19.487 19.289 19.079 18.858 18.626 18.384 18.135 17.880 17.621 17.360 17.099 20.213 20.674 20.970 21.171 21.308 21.397 21.449 21.471 21.470 21.448 21.409 21.354 21.283 21.198 21.097 20.845 20.786 20.724 20.658 20.590 20.518 20.442 20.363 20.279 20.193 20.102 20.007 19.909 19.806 19.700 19.590 19.476 19.359 19.238 19.115 18.989 19.558 20.140 20.506 20.756 20.931 21.051 21.129 21.175 21.194 21.192 21.172 21.136 21.085 21.022 20.945 20.756 20.712 20.666 20.619 20.569 20.517 20.463 20.408 20.350 20.291 20.229 20.166 20.101 20.033 19.964 19.894 19.821 19.747 19.671 19.594 19.516 18.888 19.597 20.036 20.338 20.551 20.703 20.807 20.876 20.916 20.932 20.930 20.911 20.877 20.831 20.773 20.626 20.592 20.556 20.518 20.480 20.439 20.398 20.355 20.310 20.265 20.218 20.169 20.120 20.069 20.017 19.964 19.910 19.855 19.799 19.743 19.685 18.205 19.048 19.563 19.917 20.170 20.353 20.484 20.576 20.636 20.671 20.685 20.682 20.663 20.632 20.590 20.475 20.448 20.419 20.389 20.358 20.326 20.292 20.257 20.221 20.184 20.146 20.107 20.067 20.026 19.985 19.942 19.899 19.854 19.809 19.764 19.718 17.513 18.494 19.087 19.494 19.787 20.002 20.160 20.275 20.355 20.408 20.438 20.450 20.446 20.429 20.400 20.313 20.291 20.268 20.244 20.219 20.192 20.165 20.136 20.106 20.076 20.044 20.012 19.978 19.944 19.909 19.873 19.837 19.800 19.762 19.724 19.685 16.812 17.936 18.608 19.069 19.403 19.651 19.836 19.973 20.073 20.144 20.190 20.217 20.226 20.222 20.206 20.143 20.126 20.108 20.089 20.068 20.047 20.024 20.000 19.976 19.950 19.924 19.896 19.868 19.839 19.809 19.779 19.748 19.716 19.684 19.651 19.617 16.104 17.375 18.128 18.644 19.019 19.299 19.511 19.671 19.791 19.879 19.941 19.982 20.005 20.014 20.009 19.969 19.956 19.942 19.927 19.911 19.894 19.875 19.856 19.836 19.814 19.792 19.769 19.745 19.720 19.695 19.668 19.641 19.614 19.586 19.557 19.527 99999.999 16.810 17.646 18.217 18.633 18.946 19.185 19.368 19.508 19.614 19.692 19.747 19.783 19.803 19.810 19.791 19.782 19.773 19.762 19.749 19.736 19.721 19.706 19.689 19.671 19.653 19.633 19.613 19.592 19.570 19.547 19.524 19.500 19.475 19.450 19.424 methanol,aq CH3OH Skip P-T:All Charge = 0. Radius(Å) = 9.99 Alk. = 0.000 Ref: Shock07 5 0.250 1 1.000 2 1.000 5 0.750 6 -0.750 4 15.146 14.189 13.383 12.690 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.146 14.189 13.383 12.690 12.083 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.146 14.189 13.383 12.690 12.083 11.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.145 14.188 13.383 12.690 12.083 11.545 11.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.144 14.188 13.382 12.689 12.082 11.545 11.064 10.628 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.143 14.187 13.381 12.688 12.082 11.544 11.063 10.628 10.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.141 14.185 13.380 12.687 12.080 11.543 11.062 10.627 10.230 9.863 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.139 14.183 13.378 12.685 12.079 11.542 11.061 10.626 10.228 9.862 9.519 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.135 14.180 13.375 12.683 12.077 11.540 11.059 10.624 10.227 9.861 9.518 9.192 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.130 14.176 13.372 12.679 12.074 11.537 11.056 10.622 10.225 9.859 9.517 9.192 8.872 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.123 14.170 13.367 12.675 12.070 11.533 11.053 10.619 10.222 9.857 9.516 9.193 8.877 8.544 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.115 14.163 13.361 12.670 12.065 11.529 11.049 10.615 10.219 9.854 9.514 9.193 8.881 8.561 8.160 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.108 14.158 13.356 12.665 12.061 11.525 11.045 10.612 10.216 9.852 9.513 9.192 8.883 8.571 8.213 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.098 14.150 13.349 12.659 12.055 11.520 11.040 10.607 10.212 9.848 9.510 9.191 8.885 8.581 8.253 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.089 14.142 13.343 12.653 12.049 11.515 11.036 10.603 10.208 9.845 9.508 9.190 8.887 8.588 8.277 6.777 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.079 14.134 13.336 12.647 12.044 11.509 11.031 10.598 10.204 9.842 9.505 9.189 8.887 8.593 8.294 7.400 6.996 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.069 14.127 13.329 12.641 12.038 11.504 11.026 10.594 10.200 9.838 9.502 9.187 8.888 8.597 8.305 7.563 7.332 7.024 6.614 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.060 14.119 13.322 12.635 12.033 11.499 11.021 10.590 10.196 9.835 9.500 9.186 8.888 8.599 8.314 7.645 7.470 7.260 7.002 6.688 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.050 14.111 13.316 12.629 12.027 11.494 11.017 10.585 10.192 9.831 9.497 9.184 8.887 8.601 8.320 7.696 7.547 7.380 7.187 6.962 6.701 6.410 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.040 14.103 13.309 12.623 12.022 11.489 11.012 10.581 10.188 9.828 9.494 9.182 8.886 8.603 8.325 7.732 7.598 7.453 7.293 7.113 6.911 6.686 6.440 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.031 14.096 13.302 12.617 12.016 11.484 11.007 10.577 10.184 9.824 9.491 9.179 8.885 8.604 8.329 7.758 7.634 7.503 7.362 7.208 7.041 6.856 6.656 6.441 6.217 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.021 14.088 13.296 12.611 12.011 11.479 11.003 10.572 10.180 9.821 9.488 9.177 8.884 8.604 8.332 7.779 7.661 7.539 7.410 7.274 7.127 6.969 6.799 6.617 6.426 6.227 6.026 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.011 14.080 13.289 12.605 12.006 11.474 10.998 10.568 10.177 9.817 9.485 9.175 8.883 8.604 8.335 7.795 7.682 7.567 7.447 7.321 7.189 7.048 6.899 6.741 6.574 6.400 6.221 6.040 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.002 14.073 13.282 12.599 12.000 11.469 10.993 10.564 10.173 9.814 9.482 9.172 8.881 8.604 8.337 7.808 7.699 7.589 7.475 7.357 7.235 7.106 6.972 6.830 6.682 6.527 6.367 6.204 6.039 5.874 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.992 14.065 13.276 12.593 11.995 11.464 10.989 10.559 10.169 9.810 9.479 9.170 8.879 8.603 8.338 7.818 7.713 7.606 7.497 7.386 7.270 7.151 7.027 6.898 6.763 6.623 6.479 6.331 6.180 6.028 5.876 99999.999 99999.999 99999.999 99999.999 99999.999 14.982 14.057 13.269 12.588 11.990 11.459 10.984 10.555 10.165 9.807 9.476 9.167 8.878 8.603 8.339 7.827 7.724 7.621 7.515 7.408 7.299 7.186 7.070 6.950 6.826 6.698 6.565 6.430 6.291 6.151 6.010 5.869 5.730 99999.999 99999.999 99999.999 14.973 14.050 13.263 12.582 11.984 11.454 10.980 10.551 10.161 9.803 9.472 9.165 8.876 8.602 8.340 7.834 7.734 7.633 7.530 7.427 7.322 7.214 7.104 6.991 6.875 6.756 6.634 6.508 6.380 6.250 6.119 5.987 5.856 5.726 99999.999 99999.999 14.963 14.042 13.256 12.576 11.979 11.449 10.975 10.547 10.157 9.799 9.469 9.162 8.874 8.601 8.340 7.840 7.741 7.642 7.543 7.442 7.341 7.238 7.132 7.025 6.915 6.803 6.688 6.571 6.451 6.330 6.207 6.084 5.960 5.837 5.715 5.595 14.953 14.035 13.250 12.570 11.974 11.445 10.971 10.543 10.153 9.796 9.466 9.159 8.872 8.600 8.341 7.845 7.748 7.651 7.553 7.455 7.357 7.257 7.156 7.053 6.948 6.842 6.733 6.622 6.510 6.396 6.281 6.164 6.048 5.931 5.815 5.701 14.856 13.959 13.186 12.514 11.922 11.397 10.927 10.501 10.115 9.760 9.434 9.131 8.848 8.583 8.332 7.865 7.776 7.688 7.602 7.516 7.431 7.347 7.263 7.180 7.098 7.016 6.934 6.853 6.771 6.690 6.610 6.529 6.449 6.368 6.289 6.209 14.759 13.886 13.124 12.459 11.873 11.352 10.884 10.462 10.078 9.726 9.402 9.101 8.822 8.560 8.314 7.860 7.775 7.690 7.608 7.526 7.446 7.367 7.290 7.213 7.137 7.062 6.988 6.915 6.843 6.771 6.701 6.630 6.561 6.492 6.424 6.357 14.662 13.813 13.064 12.407 11.826 11.308 10.844 10.424 10.042 9.692 9.370 9.072 8.795 8.536 8.293 7.846 7.763 7.681 7.600 7.521 7.443 7.367 7.292 7.218 7.146 7.074 7.004 6.934 6.866 6.798 6.732 6.666 6.601 6.537 6.474 6.412 14.565 13.742 13.006 12.356 11.780 11.266 10.805 10.387 10.007 9.660 9.339 9.043 8.768 8.511 8.270 7.829 7.746 7.665 7.586 7.509 7.433 7.358 7.284 7.212 7.142 7.072 7.003 6.936 6.870 6.805 6.740 6.677 6.615 6.553 6.492 6.433 14.469 13.672 12.948 12.306 11.736 11.226 10.767 10.352 9.974 9.628 9.310 9.015 8.741 8.486 8.246 7.809 7.728 7.648 7.570 7.493 7.418 7.344 7.272 7.201 7.131 7.063 6.996 6.930 6.865 6.801 6.738 6.676 6.615 6.555 6.496 6.438 14.373 13.603 12.893 12.258 11.693 11.187 10.731 10.318 9.942 9.598 9.281 8.988 8.715 8.461 8.223 7.789 7.708 7.629 7.552 7.476 7.401 7.328 7.257 7.187 7.118 7.050 6.984 6.919 6.855 6.792 6.730 6.669 6.609 6.550 6.492 6.435 14.278 13.536 12.838 12.211 11.651 11.149 10.696 10.285 9.911 9.569 9.253 8.961 8.690 8.437 8.201 7.769 7.689 7.610 7.533 7.458 7.384 7.312 7.241 7.171 7.103 7.036 6.970 6.906 6.842 6.780 6.719 6.658 6.599 6.541 6.483 6.427 99999.999 13.469 12.784 12.165 11.610 11.112 10.662 10.254 9.882 9.540 9.226 8.936 8.666 8.414 8.179 7.749 7.669 7.591 7.514 7.440 7.366 7.294 7.224 7.155 7.087 7.021 6.955 6.891 6.828 6.767 6.706 6.646 6.587 6.529 6.473 6.417 methanol,aq CH3OH Skip P-T:All Charge = 0. Radius(Å) = 9.99 Alk. = 0.000 Ref: Shock07 4 1.000 1 1.000 2 1.000 5 -1.500 31 129.220 117.927 108.213 99.775 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.220 117.927 108.213 99.775 92.370 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.221 117.928 108.214 99.776 92.371 85.809 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.223 117.929 108.216 99.778 92.372 85.811 79.945 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.226 117.932 108.219 99.781 92.375 85.813 79.948 74.661 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.231 117.937 108.223 99.785 92.380 85.818 79.952 74.665 69.862 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.238 117.945 108.230 99.792 92.386 85.824 79.959 74.672 69.870 65.471 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.249 117.955 108.240 99.802 92.396 85.834 79.968 74.682 69.880 65.482 61.416 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.263 117.969 108.254 99.815 92.409 85.847 79.981 74.695 69.894 65.498 61.435 57.636 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.283 117.989 108.273 99.833 92.426 85.864 79.999 74.713 69.913 65.519 61.460 57.669 54.062 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.308 118.014 108.297 99.857 92.449 85.886 80.021 74.736 69.938 65.546 61.492 57.710 54.124 50.606 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.341 118.046 108.328 99.887 92.478 85.915 80.050 74.766 69.969 65.581 61.532 57.761 54.197 50.740 47.061 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.366 118.071 108.352 99.910 92.501 85.937 80.072 74.789 69.993 65.607 61.562 57.798 54.249 50.828 47.317 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.403 118.107 108.387 99.943 92.533 85.969 80.104 74.821 70.027 65.643 61.604 57.850 54.319 50.937 47.559 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.439 118.142 108.421 99.976 92.565 86.000 80.135 74.853 70.060 65.679 61.645 57.899 54.383 51.033 47.738 38.783 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.475 118.178 108.455 100.009 92.597 86.031 80.166 74.884 70.093 65.714 61.684 57.945 54.443 51.119 47.884 41.014 38.872 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.511 118.213 108.489 100.041 92.628 86.062 80.197 74.915 70.125 65.749 61.722 57.990 54.500 51.197 48.007 41.648 40.116 38.319 36.137 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.546 118.247 108.522 100.073 92.659 86.093 80.227 74.946 70.156 65.782 61.760 58.033 54.553 51.268 48.115 42.000 40.665 39.222 37.616 35.799 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.582 118.282 108.555 100.105 92.690 86.123 80.257 74.976 70.187 65.815 61.796 58.075 54.604 51.334 48.210 42.244 41.003 39.711 38.341 36.865 35.260 33.533 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.617 118.317 108.588 100.137 92.721 86.153 80.287 75.006 70.218 65.847 61.831 58.115 54.652 51.396 48.296 42.431 41.245 40.034 38.784 37.478 36.098 34.636 33.097 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.652 118.351 108.621 100.169 92.751 86.183 80.316 75.035 70.248 65.879 61.865 58.154 54.697 51.453 48.374 42.583 41.434 40.274 39.094 37.884 36.633 35.331 33.975 32.570 31.129 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.687 118.385 108.654 100.200 92.782 86.212 80.345 75.065 70.278 65.911 61.899 58.191 54.741 51.507 48.445 42.712 41.589 40.464 39.331 38.181 37.009 35.808 34.571 33.299 31.996 30.670 29.336 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.722 118.419 108.687 100.231 92.812 86.241 80.374 75.094 70.308 65.941 61.932 58.228 54.783 51.558 48.511 42.824 41.721 40.622 39.521 38.413 37.295 36.159 35.003 33.823 32.620 31.398 30.163 28.925 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.757 118.453 108.719 100.262 92.842 86.271 80.403 75.122 70.337 65.972 61.964 58.263 54.824 51.606 48.571 42.924 41.837 40.756 39.680 38.603 37.522 36.433 35.332 34.217 33.088 31.944 30.789 29.628 28.469 27.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.792 118.487 108.751 100.293 92.871 86.299 80.431 75.151 70.366 66.002 61.996 58.298 54.863 51.651 48.628 43.014 41.939 40.874 39.816 38.762 37.709 36.655 35.595 34.528 33.452 32.367 31.274 30.177 29.079 27.985 26.901 99999.999 99999.999 99999.999 99999.999 99999.999 129.826 118.520 108.783 100.323 92.901 86.328 80.459 75.179 70.394 66.031 62.027 58.332 54.900 51.695 48.680 43.096 42.031 40.979 39.936 38.900 37.869 36.840 35.811 34.780 33.745 32.705 31.661 30.614 29.567 28.522 27.484 26.457 25.445 99999.999 99999.999 99999.999 129.860 118.553 108.815 100.354 92.930 86.357 80.487 75.207 70.423 66.060 62.058 58.365 54.937 51.737 48.730 43.172 42.116 41.073 40.043 39.022 38.008 37.000 35.994 34.991 33.987 32.982 31.977 30.970 29.964 28.961 27.964 26.975 25.997 25.035 99999.999 99999.999 129.895 118.587 108.847 100.384 92.959 86.385 80.515 75.234 70.451 66.089 62.088 58.397 54.972 51.777 48.777 43.242 42.193 41.160 40.139 39.130 38.131 37.139 36.153 35.171 34.192 33.215 32.240 31.266 30.294 29.326 28.363 27.407 26.461 25.527 24.608 23.706 129.929 118.620 108.878 100.414 92.988 86.413 80.543 75.262 70.478 66.117 62.118 58.429 55.007 51.815 48.821 43.307 42.265 41.239 40.228 39.229 38.241 37.263 36.292 35.328 34.369 33.415 32.464 31.517 30.573 29.634 28.700 27.773 26.855 25.947 25.052 24.171 130.264 118.943 109.186 100.708 93.270 86.685 80.808 75.524 70.741 66.385 62.394 58.719 55.318 52.155 49.200 43.812 42.805 41.820 40.855 39.908 38.979 38.066 37.169 36.287 35.419 34.565 33.723 32.893 32.075 31.267 30.471 29.685 28.909 28.144 27.388 26.643 130.590 119.256 109.483 100.990 93.539 86.944 81.060 75.771 70.986 66.630 62.643 58.975 55.584 52.436 49.502 44.173 43.182 42.214 41.267 40.341 39.433 38.545 37.674 36.819 35.981 35.159 34.351 33.558 32.778 32.011 31.257 30.516 29.786 29.068 28.360 27.664 130.908 119.561 109.771 101.263 93.799 87.193 81.300 76.005 71.216 66.859 62.873 59.208 55.824 52.684 49.761 44.466 43.484 42.525 41.588 40.672 39.776 38.900 38.042 37.202 36.378 35.571 34.780 34.004 33.242 32.495 31.760 31.039 30.330 29.634 28.949 28.275 131.222 119.859 110.052 101.528 94.051 87.434 81.532 76.230 71.436 67.076 63.089 59.425 56.044 52.910 49.993 44.719 43.742 42.788 41.858 40.948 40.059 39.190 38.340 37.508 36.693 35.895 35.113 34.347 33.595 32.858 32.135 31.425 30.728 30.044 29.371 28.711 131.531 120.151 110.327 101.787 94.296 87.668 81.757 76.448 71.648 67.284 63.295 59.631 56.250 53.118 50.206 44.944 43.971 43.021 42.094 41.189 40.304 39.440 38.595 37.768 36.958 36.166 35.390 34.630 33.885 33.155 32.439 31.736 31.046 30.369 29.704 29.051 131.837 120.440 110.597 102.042 94.537 87.898 81.977 76.660 71.854 67.485 63.492 59.827 56.446 53.315 50.405 45.151 44.180 43.233 42.308 41.405 40.524 39.662 38.820 37.997 37.191 36.403 35.631 34.875 34.134 33.408 32.696 31.998 31.314 30.642 29.982 29.334 132.140 120.725 110.864 102.292 94.774 88.122 82.192 76.866 72.054 67.680 63.683 60.015 56.633 53.502 50.593 45.344 44.374 43.428 42.505 41.604 40.725 39.865 39.025 38.204 37.401 36.615 35.846 35.093 34.355 33.632 32.923 32.228 31.547 30.878 30.222 29.577 99999.999 121.008 111.127 102.538 95.006 88.343 82.403 77.069 72.249 67.869 63.869 60.197 56.813 53.681 50.772 45.525 44.556 43.611 42.689 41.789 40.911 40.053 39.214 38.395 37.593 36.809 36.042 35.290 34.555 33.834 33.127 32.435 31.755 31.089 30.435 29.793 ethanol,aq C2H5OH P-T:All Charge = 0. Radius(Å) = 9.99 Alk. = 0.000 Ref: Shock07 5 0.500 1 1.000 2 2.000 5 1.500 6 -1.500 4 17.344 16.732 16.214 15.756 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.344 16.732 16.214 15.756 15.341 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.344 16.732 16.214 15.755 15.340 14.958 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.343 16.731 16.213 15.755 15.340 14.958 14.602 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.341 16.729 16.211 15.753 15.338 14.957 14.601 14.267 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.338 16.727 16.209 15.751 15.336 14.955 14.599 14.265 13.947 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.334 16.723 16.205 15.748 15.333 14.952 14.597 14.263 13.945 13.640 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.328 16.717 16.201 15.743 15.329 14.948 14.593 14.260 13.942 13.637 13.339 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.319 16.710 16.194 15.737 15.323 14.943 14.588 14.255 13.938 13.634 13.336 13.039 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.308 16.700 16.185 15.729 15.316 14.935 14.582 14.249 13.933 13.629 13.333 13.037 12.729 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.293 16.687 16.173 15.718 15.305 14.926 14.573 14.241 13.925 13.623 13.328 13.035 12.732 12.386 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.274 16.670 16.157 15.703 15.292 14.914 14.561 14.230 13.916 13.614 13.322 13.032 12.735 12.409 11.946 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.259 16.657 16.145 15.692 15.282 14.904 14.553 14.222 13.909 13.608 13.316 13.029 12.736 12.421 12.023 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.238 16.638 16.128 15.677 15.268 14.891 14.540 14.211 13.898 13.599 13.309 13.024 12.736 12.433 12.080 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.217 16.619 16.111 15.661 15.253 14.877 14.528 14.199 13.888 13.590 13.301 13.018 12.735 12.440 12.113 10.049 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.196 16.600 16.094 15.646 15.239 14.864 14.515 14.188 13.877 13.580 13.293 13.012 12.732 12.444 12.134 11.007 10.429 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.175 16.582 16.077 15.630 15.224 14.851 14.503 14.176 13.867 13.571 13.285 13.006 12.729 12.447 12.148 11.255 10.945 10.513 9.923 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.153 16.563 16.061 15.615 15.210 14.838 14.491 14.165 13.856 13.561 13.277 13.000 12.725 12.447 12.157 11.379 11.153 10.874 10.519 10.075 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.132 16.545 16.044 15.599 15.196 14.824 14.478 14.153 13.846 13.552 13.269 12.993 12.721 12.447 12.164 11.455 11.270 11.055 10.800 10.494 10.131 9.721 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.111 16.526 16.027 15.584 15.182 14.811 14.466 14.142 13.835 13.542 13.261 12.987 12.716 12.445 12.168 11.507 11.346 11.165 10.960 10.725 10.453 10.143 9.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.090 16.508 16.011 15.569 15.168 14.798 14.454 14.131 13.825 13.533 13.252 12.980 12.711 12.443 12.170 11.545 11.399 11.240 11.064 10.869 10.649 10.403 10.130 9.834 9.523 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.069 16.490 15.994 15.554 15.154 14.785 14.442 14.120 13.814 13.524 13.244 12.973 12.706 12.441 12.172 11.574 11.438 11.293 11.137 10.967 10.780 10.574 10.348 10.103 9.841 9.567 9.288 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.048 16.471 15.978 15.539 15.140 14.772 14.430 14.108 13.804 13.514 13.235 12.965 12.701 12.438 12.172 11.596 11.468 11.334 11.191 11.038 10.872 10.694 10.500 10.291 10.067 9.831 9.586 9.337 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.027 16.453 15.961 15.524 15.126 14.759 14.418 14.097 13.794 13.505 13.227 12.958 12.695 12.434 12.172 11.613 11.492 11.365 11.232 11.091 10.941 10.781 10.610 10.427 10.232 10.025 9.810 9.588 9.362 9.135 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.006 16.435 15.945 15.509 15.112 14.747 14.406 14.086 13.783 13.495 13.219 12.951 12.689 12.431 12.171 11.627 11.511 11.390 11.264 11.132 10.994 10.848 10.693 10.528 10.355 10.172 9.980 9.781 9.578 9.371 9.163 99999.999 99999.999 99999.999 99999.999 99999.999 16.985 16.417 15.929 15.494 15.099 14.734 14.394 14.075 13.773 13.486 13.210 12.943 12.683 12.427 12.170 11.638 11.526 11.410 11.290 11.165 11.035 10.899 10.757 10.607 10.449 10.284 10.111 9.932 9.748 9.559 9.368 9.176 8.985 99999.999 99999.999 99999.999 16.964 16.399 15.913 15.479 15.085 14.721 14.382 14.064 13.763 13.476 13.201 12.936 12.677 12.422 12.169 11.647 11.538 11.426 11.311 11.192 11.069 10.941 10.808 10.669 10.524 10.372 10.215 10.051 9.883 9.710 9.534 9.357 9.179 9.001 99999.999 99999.999 16.943 16.380 15.896 15.464 15.071 14.708 14.370 14.053 13.753 13.467 13.193 12.928 12.671 12.418 12.166 11.654 11.547 11.439 11.328 11.213 11.096 10.975 10.849 10.719 10.583 10.443 10.297 10.146 9.991 9.832 9.670 9.505 9.339 9.173 9.007 8.843 16.922 16.362 15.880 15.450 15.058 14.696 14.359 14.042 13.742 13.457 13.184 12.921 12.665 12.413 12.164 11.659 11.555 11.449 11.342 11.231 11.118 11.002 10.883 10.759 10.632 10.500 10.364 10.224 10.080 9.932 9.781 9.628 9.473 9.317 9.161 9.005 16.713 16.185 15.722 15.306 14.925 14.573 14.244 13.935 13.642 13.364 13.099 12.843 12.597 12.357 12.123 11.666 11.575 11.484 11.394 11.303 11.212 11.120 11.029 10.936 10.844 10.750 10.656 10.561 10.466 10.370 10.273 10.176 10.077 9.979 9.879 9.780 16.505 16.010 15.568 15.166 14.796 14.453 14.133 13.831 13.545 13.273 13.013 12.765 12.525 12.293 12.068 11.634 11.550 11.465 11.381 11.298 11.215 11.132 11.050 10.968 10.886 10.804 10.723 10.641 10.560 10.479 10.398 10.317 10.236 10.155 10.075 9.994 16.298 15.839 15.417 15.030 14.672 14.338 14.025 13.730 13.450 13.184 12.930 12.687 12.453 12.227 12.008 11.589 11.508 11.427 11.347 11.268 11.189 11.111 11.034 10.957 10.880 10.804 10.728 10.653 10.578 10.504 10.430 10.356 10.283 10.210 10.138 10.066 16.093 15.671 15.270 14.897 14.550 14.226 13.920 13.631 13.358 13.097 12.848 12.610 12.380 12.160 11.946 11.538 11.459 11.381 11.304 11.227 11.152 11.076 11.002 10.928 10.855 10.782 10.710 10.638 10.567 10.496 10.426 10.357 10.288 10.219 10.151 10.083 15.889 15.505 15.125 14.768 14.432 14.116 13.818 13.536 13.268 13.012 12.768 12.534 12.309 12.092 11.883 11.484 11.407 11.331 11.256 11.181 11.108 11.035 10.962 10.890 10.819 10.749 10.679 10.610 10.541 10.473 10.406 10.339 10.273 10.207 10.141 10.076 15.686 15.341 14.983 14.640 14.315 14.009 13.718 13.442 13.180 12.929 12.689 12.460 12.239 12.026 11.821 11.429 11.354 11.279 11.206 11.133 11.061 10.989 10.918 10.848 10.779 10.710 10.642 10.575 10.508 10.442 10.376 10.311 10.247 10.183 10.119 10.056 15.484 15.179 14.843 14.515 14.201 13.903 13.620 13.350 13.093 12.848 12.612 12.387 12.169 11.960 11.758 11.374 11.300 11.227 11.154 11.083 11.012 10.942 10.873 10.804 10.736 10.669 10.602 10.536 10.471 10.406 10.342 10.278 10.215 10.152 10.090 10.029 99999.999 15.019 14.705 14.392 14.089 13.800 13.524 13.260 13.009 12.768 12.537 12.315 12.101 11.896 11.697 11.319 11.246 11.174 11.103 11.032 10.963 10.894 10.826 10.758 10.691 10.625 10.560 10.495 10.431 10.367 10.304 10.241 10.180 10.118 10.057 9.997 ethanol,aq C2H5OH P-T:All Charge = 0. Radius(Å) = 9.99 Alk. = 0.000 Ref: Shock07 4 2.000 1 1.000 2 2.000 5 -3.000 31 245.492 224.207 205.873 189.926 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 245.492 224.207 205.873 189.926 175.914 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 245.494 224.209 205.875 189.928 175.916 163.485 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 245.498 224.213 205.878 189.931 175.919 163.488 152.364 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 245.504 224.219 205.884 189.937 175.924 163.493 152.369 142.332 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 245.513 224.228 205.893 189.945 175.932 163.502 152.378 142.341 133.212 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 245.528 224.242 205.906 189.958 175.945 163.514 152.390 142.354 133.226 124.856 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 245.548 224.262 205.925 189.977 175.963 163.532 152.408 142.372 133.246 124.878 117.134 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 245.576 224.289 205.952 190.002 175.988 163.557 152.433 142.398 133.273 124.909 117.171 109.927 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 245.614 224.326 205.987 190.036 176.021 163.590 152.466 142.432 133.310 124.949 117.219 109.990 103.108 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 245.664 224.374 206.033 190.081 176.064 163.632 152.509 142.477 133.357 125.002 117.281 110.070 103.227 96.511 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 245.727 224.436 206.092 190.138 176.120 163.687 152.564 142.533 133.417 125.068 117.358 110.168 103.368 96.767 89.747 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 245.777 224.483 206.138 190.182 176.163 163.729 152.607 142.577 133.463 125.118 117.416 110.240 103.469 96.935 90.232 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 245.847 224.552 206.203 190.245 176.224 163.790 152.667 142.638 133.527 125.189 117.497 110.340 103.603 97.146 90.693 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 245.918 224.619 206.268 190.307 176.284 163.849 152.727 142.699 133.591 125.258 117.576 110.435 103.728 97.331 91.035 74.062 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 245.988 224.687 206.333 190.369 176.345 163.908 152.786 142.759 133.654 125.325 117.652 110.525 103.844 97.497 91.314 78.235 74.182 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 246.057 224.754 206.397 190.430 176.404 163.967 152.844 142.818 133.715 125.391 117.725 110.612 103.954 97.647 91.551 79.424 76.513 73.103 68.971 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 246.127 224.821 206.460 190.491 176.463 164.025 152.902 142.877 133.776 125.456 117.797 110.695 104.057 97.785 91.759 80.089 77.543 74.799 71.747 68.298 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 246.196 224.887 206.523 190.552 176.522 164.082 152.959 142.935 133.836 125.519 117.867 110.776 104.154 97.913 91.943 80.550 78.181 75.717 73.109 70.300 67.249 63.966 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 246.265 224.953 206.586 190.612 176.580 164.139 153.015 142.992 133.895 125.582 117.935 110.853 104.247 98.031 92.109 80.905 78.640 76.329 73.944 71.453 68.826 66.043 63.114 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 246.333 225.019 206.649 190.672 176.638 164.196 153.071 143.048 133.953 125.643 118.001 110.928 104.336 98.142 92.260 81.195 78.999 76.783 74.530 72.220 69.833 67.352 64.769 62.091 59.346 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 246.401 225.084 206.711 190.732 176.695 164.252 153.127 143.104 134.010 125.703 118.066 111.001 104.421 98.247 92.398 81.441 79.294 77.144 74.978 72.783 70.545 68.251 65.893 63.467 60.981 58.453 55.908 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 246.469 225.149 206.773 190.791 176.752 164.307 153.182 143.160 134.067 125.762 118.130 111.071 104.502 98.345 92.525 81.655 79.546 77.443 75.339 73.222 71.084 68.915 66.707 64.455 62.159 59.826 57.470 55.107 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 246.537 225.214 206.834 190.849 176.809 164.363 153.236 143.214 134.123 125.821 118.192 111.140 104.580 98.438 92.642 81.846 79.766 77.700 75.641 73.582 71.515 69.434 67.330 65.201 63.043 60.858 58.653 56.436 54.221 52.022 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 246.605 225.278 206.895 190.908 176.865 164.417 153.291 143.269 134.178 125.878 118.254 111.207 104.656 98.526 92.751 82.019 79.962 77.925 75.902 73.886 71.872 69.855 67.828 65.788 63.732 61.658 59.571 57.473 55.375 53.284 51.212 99999.999 99999.999 99999.999 99999.999 99999.999 246.672 225.342 206.956 190.966 176.921 164.472 153.344 143.322 134.233 125.935 118.314 111.272 104.729 98.611 92.853 82.176 80.140 78.126 76.131 74.149 72.176 70.208 68.239 66.266 64.287 62.298 60.302 58.301 56.298 54.301 52.317 50.352 48.416 99999.999 99999.999 99999.999 246.739 225.406 207.017 191.024 176.977 164.526 153.397 143.375 134.287 125.991 118.373 111.336 104.799 98.691 92.948 82.322 80.301 78.307 76.335 74.381 72.441 70.512 68.588 66.667 64.747 62.825 60.901 58.975 57.052 55.133 53.225 51.332 49.462 47.619 99999.999 99999.999 246.806 225.469 207.077 191.081 177.032 164.579 153.450 143.428 134.340 126.046 118.431 111.398 104.868 98.769 93.039 82.457 80.451 78.473 76.521 74.589 72.676 70.777 68.890 67.010 65.137 63.267 61.400 59.537 57.677 55.824 53.981 52.152 50.341 48.553 46.793 45.064 246.873 225.533 207.137 191.138 177.087 164.633 153.503 143.480 134.393 126.100 118.488 111.460 104.935 98.844 93.126 82.583 80.590 78.626 76.690 74.778 72.887 71.014 69.156 67.310 65.474 63.647 61.826 60.013 58.206 56.407 54.619 52.845 51.086 49.348 47.634 45.947 247.528 226.152 207.722 191.694 177.619 165.148 154.007 143.980 134.895 126.613 119.019 112.019 105.535 99.501 93.858 83.559 81.634 79.748 77.900 76.087 74.307 72.559 70.841 69.150 67.486 65.848 64.234 62.642 61.072 59.524 57.996 56.487 54.999 53.529 52.079 50.647 248.167 226.751 208.285 192.227 178.128 165.638 154.483 144.448 135.361 127.081 119.496 112.512 106.050 100.046 94.444 84.260 82.365 80.512 78.700 76.926 75.189 73.486 71.818 70.181 68.574 66.997 65.448 63.926 62.430 60.959 59.511 58.087 56.686 55.306 53.948 52.610 248.792 227.334 208.831 192.742 178.618 166.108 154.938 144.892 135.799 127.518 119.936 112.959 106.511 100.524 94.946 84.828 82.950 81.116 79.323 77.570 75.855 74.177 72.533 70.923 69.345 67.798 66.281 64.792 63.331 61.896 60.487 59.102 57.741 56.403 55.087 53.793 249.406 227.904 209.362 193.242 179.092 166.561 155.375 145.317 136.215 127.930 120.348 113.375 106.933 100.958 95.393 85.318 83.450 81.627 79.846 78.106 76.405 74.741 73.112 71.518 69.957 68.428 66.929 65.460 64.018 62.604 61.216 59.854 58.515 57.201 55.909 54.639 250.013 228.463 209.882 193.729 179.553 167.001 155.798 145.727 136.615 128.324 120.738 113.765 107.327 101.358 95.803 85.755 83.894 82.078 80.305 78.573 76.881 75.226 73.607 72.024 70.474 68.956 67.468 66.011 64.582 63.181 61.807 60.458 59.135 57.835 56.558 55.304 250.613 229.013 210.392 194.207 180.004 167.431 156.210 146.125 137.002 128.703 121.112 114.137 107.699 101.733 96.184 86.153 84.297 82.486 80.718 78.992 77.306 75.657 74.045 72.469 70.926 69.415 67.936 66.487 65.067 63.675 62.310 60.970 59.656 58.366 57.099 55.855 251.209 229.557 210.895 194.676 180.447 167.851 156.612 146.512 137.378 129.069 121.473 114.494 108.055 102.089 96.542 86.523 84.670 82.862 81.098 79.376 77.693 76.049 74.442 72.870 71.332 69.827 68.353 66.910 65.496 64.110 62.751 61.418 60.110 58.827 57.567 56.330 99999.999 230.096 211.390 195.138 180.881 168.263 157.005 146.890 137.744 129.426 121.822 114.838 108.396 102.429 96.883 86.870 85.019 83.213 81.451 79.732 78.052 76.411 74.807 73.238 71.704 70.202 68.733 67.293 65.883 64.501 63.147 61.818 60.515 59.237 57.982 56.749 CO,aq CO(AQ) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 5 0.750 1 -1.000 2 -0.250 4 1.000 5 0.250 6 7.992 7.121 6.268 5.450 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.992 7.121 6.268 5.450 4.669 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.992 7.122 6.268 5.450 4.669 3.922 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.994 7.123 6.269 5.451 4.670 3.923 3.205 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.996 7.125 6.271 5.453 4.672 3.925 3.207 2.513 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.999 7.128 6.274 5.456 4.675 3.927 3.210 2.516 1.841 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.004 7.132 6.278 5.460 4.679 3.931 3.214 2.521 1.846 1.183 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.010 7.138 6.284 5.466 4.685 3.937 3.220 2.527 1.853 1.190 0.528 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.020 7.147 6.293 5.474 4.693 3.945 3.228 2.536 1.863 1.201 0.541 -0.133 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.032 7.159 6.304 5.485 4.703 3.956 3.239 2.547 1.875 1.215 0.558 -0.111 -0.821 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.048 7.174 6.319 5.499 4.717 3.970 3.254 2.563 1.891 1.234 0.580 -0.083 -0.779 -1.571 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.069 7.194 6.338 5.518 4.735 3.988 3.272 2.582 1.912 1.257 0.607 -0.048 -0.729 -1.482 -2.498 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.085 7.209 6.352 5.532 4.749 4.002 3.286 2.597 1.928 1.274 0.628 -0.022 -0.694 -1.423 -2.331 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.108 7.231 6.373 5.552 4.769 4.022 3.306 2.617 1.950 1.299 0.656 0.013 -0.646 -1.349 -2.172 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.131 7.253 6.394 5.572 4.789 4.042 3.326 2.638 1.972 1.323 0.684 0.046 -0.602 -1.284 -2.053 -5.418 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.154 7.274 6.414 5.592 4.808 4.061 3.346 2.658 1.994 1.347 0.711 0.078 -0.561 -1.226 -1.956 -3.988 -4.929 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.176 7.295 6.434 5.611 4.827 4.080 3.365 2.678 2.015 1.370 0.737 0.109 -0.522 -1.173 -1.873 -3.578 -4.128 -4.862 -5.855 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.198 7.316 6.455 5.631 4.846 4.099 3.384 2.698 2.036 1.392 0.762 0.139 -0.486 -1.124 -1.801 -3.346 -3.771 -4.278 -4.902 -5.674 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.220 7.337 6.475 5.650 4.865 4.118 3.403 2.718 2.056 1.414 0.787 0.167 -0.451 -1.079 -1.736 -3.185 -3.549 -3.959 -4.432 -4.985 -5.632 -6.370 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.242 7.358 6.494 5.669 4.884 4.136 3.422 2.737 2.077 1.436 0.811 0.195 -0.418 -1.036 -1.677 -3.060 -3.388 -3.746 -4.142 -4.586 -5.088 -5.655 -6.282 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.264 7.379 6.514 5.688 4.903 4.155 3.441 2.756 2.096 1.457 0.834 0.222 -0.386 -0.997 -1.624 -2.957 -3.262 -3.587 -3.937 -4.319 -4.739 -5.202 -5.711 -6.262 -6.847 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.285 7.399 6.534 5.707 4.921 4.173 3.459 2.775 2.116 1.478 0.857 0.247 -0.356 -0.960 -1.575 -2.870 -3.157 -3.459 -3.780 -4.122 -4.491 -4.889 -5.321 -5.787 -6.282 -6.802 -7.336 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.307 7.419 6.553 5.726 4.939 4.191 3.478 2.794 2.136 1.499 0.879 0.273 -0.327 -0.924 -1.530 -2.793 -3.068 -3.353 -3.652 -3.967 -4.301 -4.657 -5.038 -5.443 -5.874 -6.326 -6.796 -7.277 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.328 7.439 6.572 5.744 4.958 4.209 3.496 2.812 2.155 1.519 0.901 0.297 -0.299 -0.891 -1.488 -2.725 -2.989 -3.262 -3.545 -3.840 -4.150 -4.476 -4.820 -5.183 -5.566 -5.967 -6.386 -6.816 -7.255 -7.696 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.349 7.459 6.591 5.763 4.976 4.227 3.513 2.830 2.174 1.539 0.923 0.321 -0.272 -0.859 -1.449 -2.663 -2.919 -3.182 -3.452 -3.732 -4.024 -4.327 -4.645 -4.977 -5.325 -5.688 -6.066 -6.455 -6.854 -7.258 -7.664 99999.999 99999.999 99999.999 99999.999 99999.999 8.370 7.479 6.610 5.781 4.994 4.245 3.531 2.848 2.192 1.559 0.944 0.344 -0.245 -0.829 -1.412 -2.606 -2.855 -3.110 -3.370 -3.639 -3.916 -4.202 -4.500 -4.809 -5.130 -5.464 -5.810 -6.166 -6.532 -6.903 -7.279 -7.655 -8.029 99999.999 99999.999 99999.999 8.390 7.499 6.629 5.799 5.011 4.262 3.549 2.866 2.211 1.578 0.965 0.367 -0.220 -0.800 -1.377 -2.553 -2.797 -3.044 -3.297 -3.556 -3.821 -4.094 -4.376 -4.667 -4.968 -5.279 -5.600 -5.930 -6.268 -6.612 -6.961 -7.313 -7.664 -8.013 99999.999 99999.999 8.411 7.519 6.648 5.817 5.029 4.280 3.566 2.884 2.229 1.597 0.985 0.389 -0.195 -0.772 -1.345 -2.505 -2.743 -2.985 -3.230 -3.481 -3.737 -4.000 -4.269 -4.546 -4.830 -5.123 -5.424 -5.733 -6.048 -6.370 -6.696 -7.026 -7.356 -7.686 -8.013 -8.336 8.431 7.538 6.667 5.835 5.047 4.297 3.584 2.902 2.247 1.616 1.005 0.411 -0.171 -0.744 -1.313 -2.459 -2.693 -2.929 -3.169 -3.413 -3.662 -3.915 -4.174 -4.439 -4.710 -4.988 -5.273 -5.565 -5.862 -6.165 -6.472 -6.782 -7.094 -7.407 -7.718 -8.026 8.629 7.727 6.847 6.009 5.216 4.464 3.749 3.069 2.418 1.793 1.191 0.609 0.044 -0.507 -1.047 -2.103 -2.312 -2.520 -2.729 -2.938 -3.146 -3.355 -3.565 -3.775 -3.986 -4.198 -4.410 -4.624 -4.838 -5.054 -5.270 -5.487 -5.704 -5.922 -6.140 -6.358 8.815 7.905 7.018 6.174 5.375 4.620 3.904 3.224 2.575 1.954 1.357 0.783 0.228 -0.310 -0.834 -1.845 -2.043 -2.239 -2.435 -2.629 -2.822 -3.014 -3.206 -3.397 -3.587 -3.776 -3.965 -4.154 -4.342 -4.530 -4.717 -4.904 -5.090 -5.276 -5.461 -5.646 8.992 8.076 7.181 6.331 5.528 4.769 4.051 3.369 2.721 2.102 1.509 0.940 0.391 -0.139 -0.652 -1.636 -1.828 -2.017 -2.205 -2.391 -2.575 -2.759 -2.941 -3.121 -3.301 -3.479 -3.657 -3.833 -4.008 -4.183 -4.356 -4.529 -4.700 -4.871 -5.041 -5.210 9.161 8.239 7.338 6.481 5.673 4.911 4.190 3.507 2.859 2.241 1.650 1.084 0.540 0.015 -0.491 -1.457 -1.644 -1.829 -2.012 -2.193 -2.372 -2.550 -2.726 -2.900 -3.073 -3.245 -3.415 -3.584 -3.752 -3.918 -4.084 -4.248 -4.411 -4.573 -4.734 -4.894 9.325 8.397 7.489 6.626 5.813 5.047 4.324 3.639 2.990 2.372 1.782 1.218 0.677 0.157 -0.345 -1.298 -1.482 -1.664 -1.843 -2.021 -2.196 -2.370 -2.542 -2.712 -2.881 -3.048 -3.214 -3.378 -3.541 -3.702 -3.863 -4.021 -4.179 -4.335 -4.490 -4.644 9.483 8.550 7.635 6.767 5.949 5.179 4.453 3.766 3.115 2.497 1.908 1.345 0.806 0.288 -0.210 -1.154 -1.336 -1.515 -1.692 -1.867 -2.040 -2.211 -2.380 -2.548 -2.713 -2.877 -3.040 -3.201 -3.360 -3.518 -3.674 -3.829 -3.983 -4.136 -4.287 -4.437 9.637 8.698 7.777 6.903 6.080 5.306 4.577 3.888 3.236 2.616 2.027 1.465 0.927 0.412 -0.084 -1.021 -1.201 -1.379 -1.554 -1.727 -1.898 -2.068 -2.235 -2.400 -2.563 -2.725 -2.885 -3.043 -3.200 -3.355 -3.509 -3.662 -3.813 -3.962 -4.111 -4.258 99999.999 8.843 7.915 7.035 6.208 5.430 4.697 4.006 3.352 2.732 2.142 1.580 1.043 0.529 0.035 -0.898 -1.077 -1.253 -1.427 -1.599 -1.768 -1.936 -2.101 -2.265 -2.427 -2.587 -2.745 -2.901 -3.056 -3.210 -3.362 -3.512 -3.661 -3.809 -3.955 -4.100 CO,aq CO(AQ) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 1.000 1 1.000 5 -0.500 31 -1.000 2 46.016 41.700 37.878 34.478 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.016 41.700 37.878 34.478 31.431 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.018 41.701 37.879 34.479 31.432 28.676 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.019 41.703 37.880 34.481 31.433 28.678 26.165 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.023 41.706 37.883 34.484 31.436 28.681 26.168 23.858 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.028 41.711 37.888 34.488 31.441 28.685 26.173 23.862 21.719 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.036 41.719 37.895 34.495 31.447 28.692 26.179 23.869 21.726 19.719 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.047 41.729 37.905 34.505 31.457 28.701 26.189 23.879 21.737 19.731 17.828 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.062 41.744 37.919 34.518 31.470 28.714 26.202 23.893 21.752 19.747 17.847 16.015 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.083 41.763 37.938 34.536 31.488 28.732 26.220 23.911 21.771 19.769 17.873 16.048 14.243 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.110 41.789 37.962 34.560 31.511 28.755 26.243 23.935 21.797 19.797 17.906 16.090 14.304 12.450 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.145 41.822 37.994 34.590 31.540 28.784 26.273 23.966 21.829 19.832 17.947 16.141 14.376 12.578 10.469 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.172 41.847 38.018 34.613 31.563 28.806 26.295 23.989 21.854 19.859 17.978 16.180 14.428 12.663 10.704 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.210 41.883 38.052 34.647 31.595 28.838 26.328 24.022 21.888 19.897 18.021 16.232 14.498 12.770 10.930 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.248 41.919 38.087 34.679 31.627 28.870 26.359 24.055 21.923 19.934 18.063 16.282 14.563 12.864 11.100 5.251 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.286 41.955 38.121 34.712 31.659 28.902 26.391 24.087 21.957 19.971 18.104 16.331 14.624 12.950 11.240 7.217 5.696 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.323 41.991 38.154 34.745 31.691 28.933 26.422 24.119 21.990 20.006 18.143 16.377 14.682 13.027 11.361 7.784 6.800 5.570 3.986 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.360 42.026 38.188 34.777 31.722 28.964 26.453 24.150 22.022 20.041 18.182 16.421 14.736 13.099 11.466 8.105 7.294 6.376 5.303 4.030 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.397 42.061 38.221 34.809 31.753 28.994 26.484 24.181 22.055 20.076 18.220 16.464 14.788 13.166 11.561 8.331 7.603 6.818 5.953 4.983 3.887 2.671 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.434 42.096 38.254 34.840 31.784 29.024 26.514 24.212 22.086 20.109 18.256 16.506 14.837 13.228 11.646 8.507 7.827 7.115 6.356 5.536 4.641 3.662 2.604 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.471 42.130 38.287 34.872 31.814 29.054 26.544 24.242 22.118 20.142 18.292 16.546 14.885 13.286 11.724 8.651 8.005 7.337 6.641 5.907 5.125 4.290 3.395 2.447 1.457 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.507 42.165 38.320 34.903 31.845 29.084 26.573 24.273 22.149 20.175 18.327 16.585 14.930 13.341 11.796 8.775 8.152 7.516 6.860 6.181 5.470 4.723 3.936 3.107 2.241 1.346 0.434 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.544 42.199 38.352 34.934 31.875 29.114 26.603 24.302 22.179 20.207 18.362 16.624 14.974 13.393 11.862 8.884 8.279 7.665 7.039 6.397 5.734 5.046 4.330 3.584 2.809 2.006 1.185 0.351 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.580 42.233 38.384 34.965 31.905 29.143 26.632 24.332 22.210 20.238 18.396 16.661 15.016 13.443 11.924 8.981 8.390 7.794 7.190 6.575 5.946 5.300 4.634 3.946 3.236 2.505 1.755 0.992 0.222 -0.548 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.615 42.267 38.416 34.996 31.934 29.172 26.661 24.361 22.239 20.270 18.429 16.697 15.056 13.490 11.981 9.069 8.490 7.908 7.321 6.726 6.123 5.507 4.878 4.233 3.571 2.893 2.199 1.494 0.779 0.061 -0.656 99999.999 99999.999 99999.999 99999.999 99999.999 46.651 42.300 38.448 35.026 31.964 29.201 26.690 24.390 22.269 20.300 18.461 16.732 15.096 13.535 12.035 9.150 8.581 8.010 7.436 6.859 6.275 5.682 5.081 4.468 3.843 3.205 2.555 1.895 1.227 0.554 -0.121 -0.792 -1.458 99999.999 99999.999 99999.999 46.686 42.334 38.480 35.057 31.993 29.230 26.718 24.418 22.298 20.331 18.493 16.767 15.134 13.579 12.086 9.226 8.664 8.103 7.540 6.976 6.408 5.834 5.254 4.666 4.069 3.463 2.848 2.224 1.594 0.958 0.320 -0.317 -0.950 -1.577 99999.999 99999.999 46.722 42.367 38.511 35.087 32.022 29.258 26.746 24.447 22.327 20.360 18.525 16.801 15.171 13.620 12.134 9.296 8.741 8.188 7.635 7.082 6.526 5.968 5.405 4.836 4.262 3.681 3.093 2.499 1.899 1.295 0.689 0.082 -0.522 -1.122 -1.716 -2.300 46.757 42.400 38.543 35.117 32.051 29.287 26.774 24.475 22.355 20.390 18.556 16.834 15.207 13.661 12.181 9.362 8.813 8.267 7.722 7.178 6.633 6.087 5.538 4.986 4.430 3.869 3.304 2.733 2.159 1.581 1.001 0.421 -0.159 -0.735 -1.305 -1.869 47.098 42.721 38.847 35.407 32.331 29.560 27.043 24.743 22.627 20.668 18.845 17.139 15.534 14.017 12.576 9.880 9.365 8.857 8.355 7.860 7.370 6.884 6.404 5.927 5.454 4.985 4.519 4.056 3.596 3.139 2.684 2.232 1.783 1.336 0.893 0.453 47.425 43.029 39.137 35.684 32.597 29.818 27.296 24.993 22.877 20.922 19.104 17.408 15.815 14.315 12.895 10.259 9.760 9.268 8.785 8.309 7.840 7.378 6.922 6.472 6.028 5.589 5.156 4.727 4.303 3.884 3.469 3.058 2.652 2.249 1.851 1.456 47.741 43.325 39.417 35.949 32.852 30.064 27.536 25.230 23.112 21.157 19.343 17.652 16.067 14.578 13.171 10.570 10.080 9.598 9.125 8.660 8.202 7.752 7.309 6.873 6.443 6.020 5.602 5.190 4.784 4.383 3.987 3.596 3.210 2.828 2.451 2.078 48.047 43.611 39.686 36.205 33.097 30.300 27.766 25.455 23.335 21.379 19.566 17.878 16.298 14.815 13.417 10.839 10.355 9.879 9.412 8.954 8.504 8.061 7.626 7.198 6.777 6.363 5.955 5.553 5.157 4.766 4.381 4.001 3.627 3.257 2.892 2.532 48.345 43.890 39.948 36.453 33.334 30.528 27.987 25.671 23.548 21.590 19.777 18.090 16.513 15.034 13.642 11.080 10.599 10.128 9.665 9.211 8.766 8.329 7.899 7.476 7.061 6.653 6.251 5.855 5.466 5.082 4.704 4.332 3.965 3.603 3.246 2.893 48.638 44.162 40.203 36.695 33.564 30.749 28.201 25.880 23.752 21.792 19.978 18.291 16.716 15.240 13.851 11.300 10.822 10.353 9.893 9.443 9.001 8.567 8.141 7.722 7.311 6.907 6.509 6.118 5.733 5.354 4.981 4.614 4.252 3.895 3.543 3.196 48.925 44.428 40.452 36.930 33.788 30.964 28.409 26.082 23.950 21.987 20.171 18.483 16.908 15.433 14.047 11.503 11.027 10.560 10.103 9.655 9.215 8.784 8.360 7.944 7.536 7.135 6.740 6.352 5.971 5.595 5.225 4.862 4.503 4.150 3.802 3.459 99999.999 44.689 40.696 37.160 34.007 31.174 28.611 26.278 24.141 22.175 20.356 18.667 17.092 15.617 14.233 11.694 11.219 10.754 10.298 9.851 9.413 8.984 8.562 8.148 7.742 7.343 6.951 6.565 6.186 5.813 5.445 5.084 4.728 4.378 4.032 3.692 CO2,aq CO2(0) P-T:All Charge = 0. Radius(Å) = 9.99 Alk. = 0.000 Ref: Shock07 3 1.000 1 1.000 5 -1.000 2 -6.568 -6.345 -6.262 -6.274 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.568 -6.345 -6.262 -6.274 -6.354 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.567 -6.344 -6.262 -6.273 -6.353 -6.486 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.535 -6.306 -6.221 -6.232 -6.312 -6.444 -6.619 -6.830 -7.075 -7.353 -7.671 -8.039 -8.488 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.522 -6.290 -6.205 -6.215 -6.294 -6.426 -6.600 -6.811 -7.054 -7.330 -7.643 -8.004 -8.437 -9.008 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.506 -6.269 -6.183 -6.193 -6.272 -6.404 -6.577 -6.786 -7.028 -7.301 -7.609 -7.961 -8.376 -8.901 -9.750 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 -6.441 -6.187 -6.095 -6.103 -6.181 -6.311 -6.482 -6.687 -6.922 -7.185 -7.477 -7.801 -8.165 -8.588 -9.114 -10.777 -11.698 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.424 -6.165 -6.071 -6.079 -6.156 -6.286 -6.456 -6.660 -6.894 -7.155 -7.443 -7.761 -8.116 -8.521 -9.012 -10.331 -10.832 -11.536 -12.532 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.408 -6.143 -6.048 -6.055 -6.132 -6.261 -6.431 -6.634 -6.866 -7.125 -7.410 -7.723 -8.069 -8.460 -8.921 -10.075 -10.443 -10.901 -11.490 -12.246 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.392 -6.122 -6.024 -6.030 -6.107 -6.236 -6.405 -6.608 -6.839 -7.095 -7.377 -7.685 -8.024 -8.402 -8.840 -9.893 -10.196 -10.551 -10.975 -11.491 -12.114 -12.845 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.377 -6.100 -6.001 -6.006 -6.083 -6.211 -6.380 -6.582 -6.811 -7.066 -7.345 -7.649 -7.981 -8.348 -8.766 -9.751 -10.015 -10.313 -10.655 -11.052 -11.515 -12.053 -12.663 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.362 -6.079 -5.978 -5.982 -6.058 -6.186 -6.355 -6.556 -6.784 -7.038 -7.314 -7.614 -7.940 -8.297 -8.699 -9.633 -9.871 -10.133 -10.426 -10.755 -11.129 -11.553 -12.030 -12.558 -13.128 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.347 -6.058 -5.955 -5.958 -6.034 -6.162 -6.330 -6.530 -6.758 -7.009 -7.283 -7.580 -7.900 -8.249 -8.636 -9.531 -9.750 -9.988 -10.248 -10.535 -10.853 -11.206 -11.597 -12.029 -12.497 -12.996 -13.515 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.332 -6.037 -5.931 -5.934 -6.009 -6.137 -6.305 -6.504 -6.731 -6.981 -7.253 -7.546 -7.862 -8.204 -8.579 -9.440 -9.646 -9.866 -10.103 -10.360 -10.640 -10.946 -11.281 -11.647 -12.042 -12.465 -12.909 -13.370 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.318 -6.016 -5.908 -5.910 -5.985 -6.112 -6.280 -6.479 -6.704 -6.953 -7.223 -7.513 -7.825 -8.160 -8.525 -9.359 -9.553 -9.759 -9.979 -10.215 -10.468 -10.741 -11.037 -11.355 -11.698 -12.064 -12.450 -12.853 -13.267 -13.686 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.304 -5.995 -5.885 -5.886 -5.961 -6.088 -6.255 -6.453 -6.678 -6.925 -7.193 -7.481 -7.789 -8.119 -8.475 -9.284 -9.469 -9.665 -9.871 -10.090 -10.323 -10.572 -10.839 -11.124 -11.428 -11.751 -12.092 -12.448 -12.816 -13.193 -13.574 99999.999 99999.999 99999.999 99999.999 99999.999 -6.290 -5.975 -5.862 -5.862 -5.936 -6.063 -6.230 -6.428 -6.652 -6.898 -7.164 -7.449 -7.754 -8.079 -8.428 -9.215 -9.393 -9.579 -9.775 -9.981 -10.198 -10.429 -10.674 -10.933 -11.208 -11.498 -11.804 -12.123 -12.455 -12.795 -13.141 -13.489 -13.837 99999.999 99999.999 99999.999 -6.277 -5.954 -5.839 -5.839 -5.912 -6.039 -6.205 -6.403 -6.626 -6.871 -7.135 -7.418 -7.720 -8.040 -8.383 -9.151 -9.322 -9.501 -9.687 -9.883 -10.088 -10.304 -10.532 -10.771 -11.024 -11.289 -11.567 -11.857 -12.158 -12.468 -12.784 -13.104 -13.426 -13.746 99999.999 99999.999 -6.264 -5.934 -5.816 -5.815 -5.888 -6.014 -6.180 -6.377 -6.600 -6.844 -7.107 -7.388 -7.686 -8.003 -8.340 -9.091 -9.256 -9.429 -9.608 -9.794 -9.989 -10.193 -10.407 -10.631 -10.866 -11.111 -11.367 -11.634 -11.910 -12.194 -12.485 -12.781 -13.079 -13.378 -13.675 -13.969 -6.251 -5.913 -5.794 -5.791 -5.864 -5.990 -6.156 -6.352 -6.574 -6.817 -7.078 -7.358 -7.653 -7.967 -8.299 -9.034 -9.195 -9.361 -9.534 -9.713 -9.900 -10.094 -10.296 -10.507 -10.727 -10.957 -11.195 -11.443 -11.699 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-7.416 -7.517 -7.618 -7.719 -7.820 -7.921 -8.021 -8.122 -8.222 -8.322 -8.422 -8.522 -8.621 -8.721 CO3-2 CO3(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 2.000 Ref: Shock07 2 -1.000 1 1.000 5 10.624 10.329 10.169 10.095 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.624 10.329 10.169 10.095 10.084 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.623 10.328 10.168 10.094 10.083 10.121 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.622 10.327 10.167 10.093 10.082 10.120 10.200 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.620 10.325 10.165 10.091 10.080 10.118 10.198 10.316 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.616 10.321 10.161 10.087 10.076 10.115 10.195 10.312 10.465 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.611 10.316 10.156 10.082 10.071 10.109 10.189 10.306 10.459 10.648 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.603 10.308 10.149 10.075 10.064 10.102 10.182 10.298 10.450 10.638 10.871 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.593 10.298 10.139 10.065 10.054 10.092 10.171 10.287 10.438 10.625 10.854 11.140 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.579 10.284 10.125 10.052 10.041 10.079 10.157 10.272 10.422 10.606 10.832 11.111 11.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.561 10.266 10.107 10.035 10.024 10.061 10.139 10.253 10.401 10.583 10.804 11.075 11.414 11.857 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.537 10.243 10.085 10.012 10.002 10.039 10.116 10.229 10.375 10.553 10.769 11.031 11.353 11.767 12.375 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.519 10.225 10.067 9.995 9.984 10.022 10.099 10.210 10.354 10.531 10.743 10.997 11.308 11.702 12.272 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.494 10.199 10.042 9.971 9.960 9.997 10.073 10.184 10.326 10.499 10.705 10.951 11.246 11.614 12.132 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.468 10.174 10.017 9.946 9.936 9.973 10.048 10.158 10.298 10.468 10.670 10.907 11.189 11.532 12.004 12.344 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.443 10.149 9.993 9.922 9.912 9.949 10.024 10.132 10.270 10.438 10.635 10.865 11.134 11.457 11.887 12.272 12.432 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.417 10.124 9.968 9.898 9.888 9.925 9.999 10.107 10.243 10.408 10.601 10.824 11.082 11.387 11.780 12.206 12.349 12.518 12.786 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.392 10.099 9.944 9.874 9.865 9.901 9.975 10.082 10.217 10.379 10.568 10.785 11.033 11.322 11.683 12.135 12.274 12.422 12.596 12.827 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.368 10.074 9.920 9.851 9.842 9.878 9.952 10.057 10.191 10.351 10.536 10.748 10.987 11.261 11.594 12.067 12.200 12.341 12.493 12.667 12.880 13.158 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.343 10.050 9.896 9.827 9.818 9.855 9.928 10.032 10.165 10.323 10.505 10.712 10.943 11.205 11.514 12.002 12.131 12.266 12.408 12.562 12.734 12.935 13.177 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.319 10.025 9.872 9.804 9.795 9.832 9.905 10.008 10.139 10.295 10.475 10.677 10.902 11.152 11.442 11.940 12.065 12.195 12.331 12.474 12.628 12.797 12.988 13.207 13.458 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.294 10.001 9.848 9.781 9.773 9.809 9.882 9.984 10.114 10.268 10.445 10.643 10.862 11.104 11.376 11.882 12.003 12.128 12.258 12.395 12.538 12.692 12.858 13.040 13.241 13.464 13.707 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.270 9.977 9.825 9.758 9.750 9.786 9.859 9.961 10.090 10.242 10.416 10.611 10.825 11.058 11.317 11.826 11.944 12.065 12.191 12.322 12.458 12.601 12.753 12.915 13.089 13.276 13.478 13.693 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.246 9.953 9.802 9.735 9.727 9.764 9.836 9.938 10.065 10.216 10.388 10.580 10.789 11.016 11.264 11.773 11.887 12.005 12.127 12.253 12.384 12.520 12.662 12.812 12.969 13.136 13.312 13.497 13.690 13.888 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.222 9.929 9.778 9.712 9.705 9.742 9.813 9.914 10.041 10.190 10.360 10.549 10.755 10.977 11.216 11.722 11.834 11.948 12.067 12.189 12.315 12.445 12.581 12.722 12.868 13.021 13.181 13.347 13.518 13.694 13.872 99999.999 99999.999 99999.999 99999.999 99999.999 10.199 9.905 9.755 9.690 9.683 9.720 9.791 9.892 10.017 10.165 10.333 10.519 10.722 10.939 11.172 11.673 11.782 11.894 12.009 12.128 12.250 12.376 12.506 12.640 12.779 12.922 13.071 13.224 13.381 13.541 13.703 13.865 14.025 99999.999 99999.999 99999.999 10.175 9.882 9.732 9.667 9.661 9.698 9.769 9.869 9.994 10.140 10.307 10.491 10.690 10.904 11.132 11.626 11.733 11.842 11.954 12.070 12.188 12.310 12.436 12.565 12.698 12.834 12.974 13.118 13.265 13.414 13.564 13.715 13.864 14.010 99999.999 99999.999 10.152 9.859 9.709 9.645 9.639 9.676 9.747 9.847 9.970 10.116 10.281 10.462 10.659 10.870 11.094 11.581 11.685 11.792 11.902 12.014 12.130 12.248 12.370 12.494 12.622 12.753 12.887 13.024 13.163 13.304 13.446 13.588 13.729 13.867 14.002 14.132 10.129 9.835 9.687 9.623 9.617 9.654 9.725 9.824 9.947 10.092 10.255 10.435 10.630 10.838 11.058 11.537 11.639 11.744 11.851 11.961 12.074 12.189 12.307 12.428 12.552 12.678 12.807 12.939 13.072 13.206 13.342 13.477 13.612 13.745 13.874 14.000 9.904 9.609 9.465 9.407 9.406 9.445 9.516 9.612 9.729 9.865 10.016 10.181 10.357 10.545 10.741 11.160 11.248 11.337 11.428 11.520 11.613 11.708 11.805 11.903 12.002 12.103 12.205 12.309 12.413 12.519 12.625 12.732 12.839 12.947 13.054 13.161 9.691 9.392 9.254 9.201 9.205 9.247 9.320 9.415 9.529 9.658 9.802 9.956 10.121 10.295 10.475 10.856 10.935 11.015 11.096 11.178 11.261 11.344 11.429 11.515 11.602 11.689 11.778 11.868 11.958 12.049 12.141 12.234 12.328 12.422 12.517 12.612 9.486 9.184 9.049 9.003 9.011 9.058 9.133 9.228 9.341 9.467 9.605 9.753 9.910 10.073 10.242 10.596 10.669 10.743 10.817 10.893 10.968 11.045 11.122 11.200 11.278 11.357 11.437 11.518 11.599 11.681 11.764 11.847 11.931 12.015 12.101 12.186 9.289 8.982 8.851 8.811 8.824 8.875 8.953 9.050 9.163 9.288 9.423 9.566 9.716 9.872 10.033 10.368 10.436 10.505 10.575 10.645 10.716 10.787 10.858 10.930 11.003 11.076 11.150 11.224 11.299 11.374 11.450 11.527 11.604 11.681 11.759 11.838 9.097 8.785 8.659 8.624 8.643 8.699 8.780 8.879 8.993 9.117 9.250 9.390 9.536 9.687 9.842 10.161 10.227 10.292 10.358 10.425 10.491 10.559 10.626 10.694 10.762 10.831 10.900 10.970 11.040 11.110 11.181 11.252 11.324 11.396 11.469 11.542 8.909 8.592 8.471 8.441 8.466 8.526 8.611 8.714 8.829 8.954 9.086 9.224 9.367 9.514 9.664 9.972 10.035 10.098 10.161 10.225 10.289 10.353 10.417 10.482 10.547 10.612 10.678 10.744 10.810 10.877 10.944 11.011 11.079 11.147 11.216 11.285 8.726 8.403 8.286 8.263 8.293 8.358 8.447 8.553 8.670 8.796 8.929 9.066 9.207 9.351 9.498 9.797 9.858 9.919 9.980 10.041 10.103 10.165 10.227 10.289 10.351 10.414 10.477 10.540 10.604 10.668 10.732 10.796 10.861 10.926 10.991 11.057 99999.999 8.217 8.105 8.087 8.123 8.194 8.287 8.396 8.516 8.644 8.777 8.914 9.054 9.196 9.341 9.633 9.692 9.752 9.811 9.871 9.931 9.990 10.051 10.111 10.171 10.232 10.293 10.354 10.415 10.477 10.539 10.601 10.663 10.726 10.789 10.852 HCN,aq HCN P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 6 -0.250 1 -2.000 2 -0.250 4 1.000 32 1.000 5 0.250 6 23.590 21.476 19.604 17.934 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.590 21.476 19.604 17.934 16.430 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.591 21.477 19.604 17.934 16.431 15.066 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.593 21.479 19.606 17.936 16.433 15.068 13.816 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.596 21.482 19.609 17.938 16.435 15.070 13.819 12.661 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.600 21.486 19.613 17.942 16.439 15.074 13.822 12.665 11.585 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.607 21.493 19.619 17.948 16.445 15.080 13.828 12.671 11.591 10.571 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.617 21.502 19.628 17.957 16.453 15.088 13.837 12.680 11.600 10.581 9.607 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.631 21.515 19.640 17.969 16.465 15.099 13.848 12.691 11.612 10.595 9.622 8.674 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.650 21.532 19.657 17.985 16.480 15.114 13.863 12.707 11.629 10.613 9.642 8.699 7.754 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.674 21.555 19.678 18.005 16.500 15.134 13.883 12.727 11.650 10.636 9.668 8.731 7.798 6.816 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.704 21.584 19.706 18.031 16.526 15.160 13.909 12.753 11.677 10.665 9.701 8.770 7.850 6.900 5.770 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.728 21.606 19.727 18.052 16.546 15.179 13.928 12.773 11.698 10.687 9.726 8.800 7.888 6.957 5.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.761 21.638 19.757 18.081 16.574 15.207 13.956 12.802 11.728 10.719 9.761 8.841 7.940 7.031 6.046 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.794 21.669 19.787 18.109 16.602 15.235 13.984 12.830 11.757 10.750 9.795 8.880 7.988 7.097 6.156 3.168 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.827 21.700 19.816 18.138 16.630 15.262 14.011 12.858 11.785 10.780 9.828 8.918 8.034 7.158 6.250 4.180 3.393 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.859 21.731 19.845 18.166 16.657 15.289 14.038 12.885 11.813 10.810 9.861 8.955 8.078 7.215 6.333 4.483 3.970 3.328 2.492 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.891 21.761 19.874 18.194 16.684 15.316 14.065 12.912 11.841 10.839 9.892 8.990 8.120 7.268 6.407 4.663 4.238 3.757 3.194 2.520 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.923 21.791 19.903 18.222 16.711 15.342 14.091 12.939 11.869 10.868 9.923 9.025 8.160 7.317 6.474 4.795 4.412 3.999 3.545 3.033 2.452 1.799 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.954 21.821 19.931 18.249 16.738 15.368 14.117 12.965 11.896 10.896 9.954 9.058 8.199 7.364 6.535 4.900 4.543 4.168 3.768 3.335 2.862 2.341 1.773 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.984 21.850 19.960 18.276 16.764 15.394 14.143 12.991 11.923 10.924 9.983 9.091 8.236 7.408 6.592 4.990 4.650 4.298 3.931 3.543 3.130 2.687 2.210 1.701 1.165 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.015 21.879 19.988 18.303 16.790 15.420 14.169 13.017 11.949 10.951 10.013 9.123 8.272 7.450 6.645 5.069 4.741 4.406 4.060 3.701 3.325 2.929 2.511 2.068 1.603 1.120 0.624 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.045 21.908 20.015 18.330 16.816 15.446 14.194 13.043 11.975 10.978 10.041 9.154 8.306 7.490 6.694 5.139 4.821 4.498 4.168 3.828 3.478 3.113 2.733 2.336 1.921 1.491 1.047 0.595 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.075 21.937 20.043 18.356 16.842 15.471 14.219 13.068 12.001 11.005 10.069 9.184 8.340 7.528 6.739 5.204 4.893 4.579 4.261 3.936 3.603 3.261 2.908 2.542 2.163 1.772 1.370 0.958 0.542 0.123 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.104 21.965 20.070 18.383 16.868 15.496 14.244 13.093 12.026 11.032 10.097 9.214 8.372 7.565 6.782 5.263 4.959 4.653 4.343 4.030 3.710 3.384 3.051 2.708 2.355 1.993 1.622 1.244 0.859 0.471 0.082 99999.999 99999.999 99999.999 99999.999 99999.999 24.133 21.993 20.097 18.409 16.893 15.521 14.269 13.118 12.052 11.058 10.124 9.243 8.404 7.600 6.823 5.319 5.020 4.720 4.418 4.113 3.804 3.491 3.172 2.846 2.514 2.174 1.827 1.474 1.115 0.753 0.389 0.026 -0.335 99999.999 99999.999 99999.999 24.162 22.021 20.124 18.435 16.918 15.546 14.294 13.142 12.077 11.083 10.151 9.271 8.435 7.634 6.862 5.371 5.076 4.782 4.486 4.188 3.888 3.585 3.277 2.965 2.648 2.325 1.997 1.664 1.326 0.985 0.643 0.299 -0.042 -0.381 99999.999 99999.999 24.190 22.049 20.151 18.460 16.943 15.570 14.318 13.167 12.101 11.109 10.178 9.299 8.465 7.667 6.899 5.420 5.130 4.839 4.549 4.257 3.964 3.669 3.371 3.069 2.764 2.455 2.142 1.825 1.504 1.181 0.856 0.530 0.205 -0.119 -0.439 -0.754 24.218 22.076 20.177 18.486 16.968 15.595 14.342 13.191 12.126 11.134 10.204 9.327 8.494 7.699 6.934 5.467 5.180 4.893 4.607 4.321 4.034 3.745 3.455 3.162 2.867 2.569 2.268 1.964 1.657 1.348 1.038 0.727 0.416 0.106 -0.201 -0.504 24.485 22.339 20.431 18.731 17.207 15.829 14.573 13.422 12.359 11.371 10.449 9.582 8.763 7.987 7.246 5.851 5.584 5.319 5.058 4.799 4.543 4.289 4.036 3.786 3.537 3.290 3.044 2.799 2.555 2.313 2.072 1.831 1.592 1.355 1.119 0.884 24.728 22.582 20.668 18.961 17.431 16.048 14.790 13.637 12.574 11.589 10.670 9.810 8.999 8.234 7.506 6.149 5.891 5.637 5.386 5.139 4.895 4.655 4.417 4.182 3.950 3.720 3.493 3.268 3.045 2.825 2.606 2.390 2.175 1.962 1.751 1.542 24.953 22.811 20.892 19.179 17.643 16.256 14.994 13.839 12.775 11.791 10.875 10.018 9.213 8.454 7.735 6.401 6.148 5.900 5.656 5.416 5.179 4.946 4.716 4.490 4.266 4.046 3.828 3.613 3.401 3.191 2.984 2.779 2.576 2.376 2.178 1.981 25.162 23.027 21.104 19.387 17.845 16.453 15.188 14.030 12.966 11.981 11.066 10.211 9.410 8.656 7.943 6.623 6.374 6.130 5.890 5.654 5.422 5.194 4.969 4.748 4.530 4.315 4.103 3.895 3.689 3.485 3.285 3.087 2.891 2.698 2.507 2.319 25.358 23.232 21.307 19.585 18.039 16.642 15.373 14.213 13.147 12.161 11.246 10.393 9.594 8.842 8.133 6.825 6.578 6.337 6.099 5.866 5.637 5.412 5.191 4.973 4.759 4.548 4.341 4.136 3.934 3.735 3.539 3.346 3.155 2.967 2.781 2.597 25.544 23.427 21.502 19.776 18.225 16.824 15.552 14.389 13.320 12.334 11.418 10.565 9.767 9.018 8.311 7.010 6.766 6.526 6.291 6.060 5.833 5.610 5.391 5.176 4.965 4.756 4.551 4.350 4.151 3.955 3.762 3.572 3.385 3.200 3.017 2.837 25.720 23.615 21.689 19.959 18.404 16.999 15.723 14.557 13.487 12.498 11.582 10.729 9.932 9.183 8.479 7.183 6.940 6.701 6.467 6.238 6.013 5.792 5.575 5.361 5.152 4.946 4.743 4.543 4.347 4.153 3.962 3.774 3.589 3.407 3.227 3.049 99999.999 23.796 21.870 20.137 18.578 17.169 15.889 14.721 13.647 12.657 11.740 10.886 10.089 9.341 8.637 7.345 7.103 6.865 6.633 6.405 6.181 5.961 5.745 5.533 5.325 5.120 4.919 4.721 4.526 4.334 4.145 3.959 3.775 3.594 3.416 3.240 HCN,aq HCN P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 -2.000 2 -0.500 31 1.000 32 1.000 5 61.615 56.056 51.213 46.962 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.615 56.056 51.213 46.962 43.193 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.616 56.057 51.215 46.963 43.194 39.821 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.618 56.059 51.217 46.965 43.196 39.823 36.776 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.623 56.063 51.221 46.969 43.199 39.826 36.780 34.005 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.629 56.070 51.227 46.975 43.205 39.832 36.786 34.011 31.462 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.640 56.079 51.236 46.983 43.214 39.840 36.794 34.020 31.471 29.107 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.654 56.093 51.249 46.996 43.226 39.852 36.806 34.032 31.484 29.121 26.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.674 56.112 51.267 47.013 43.242 39.868 36.822 34.049 31.501 29.141 26.928 24.822 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.701 56.137 51.290 47.036 43.264 39.890 36.844 34.071 31.525 29.166 26.957 24.858 22.818 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.735 56.169 51.322 47.066 43.293 39.919 36.873 34.100 31.555 29.199 26.994 24.903 22.880 20.837 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.780 56.211 51.361 47.104 43.331 39.955 36.909 34.137 31.594 29.240 27.041 24.960 22.955 20.959 18.737 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.814 56.244 51.392 47.133 43.359 39.983 36.937 34.166 31.624 29.272 27.076 25.002 23.010 21.042 18.941 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.863 56.290 51.436 47.175 43.400 40.024 36.977 34.207 31.666 29.317 27.126 25.060 23.084 21.150 19.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.911 56.336 51.479 47.217 43.440 40.063 37.017 34.247 31.707 29.361 27.174 25.116 23.154 21.246 19.310 13.837 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.959 56.381 51.522 47.258 43.480 40.103 37.056 34.286 31.748 29.404 27.221 25.170 23.220 21.334 19.447 15.385 14.019 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 62.006 56.426 51.565 47.299 43.520 40.142 37.095 34.325 31.788 29.446 27.267 25.222 23.282 21.415 19.567 15.845 14.898 13.760 12.333 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 62.053 56.470 51.608 47.340 43.560 40.180 37.133 34.364 31.828 29.488 27.312 25.273 23.342 21.491 19.674 16.115 15.303 14.411 13.398 12.224 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 62.100 56.515 51.650 47.380 43.599 40.218 37.171 34.402 31.867 29.529 27.356 25.322 23.399 21.561 19.770 16.311 15.563 14.776 13.930 13.001 11.971 10.840 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 62.146 56.558 51.691 47.420 43.637 40.256 37.209 34.440 31.906 29.569 27.399 25.369 23.454 21.628 19.859 16.467 15.759 15.028 14.265 13.457 12.591 11.658 10.659 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 62.192 56.602 51.733 47.460 43.676 40.294 37.246 34.477 31.944 29.609 27.442 25.416 23.507 21.691 19.940 16.598 15.917 15.222 14.508 13.768 12.994 12.178 11.316 10.411 9.469 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 62.237 56.645 51.774 47.499 43.714 40.331 37.283 34.514 31.982 29.648 27.483 25.461 23.557 21.751 20.016 16.713 16.050 15.381 14.700 14.003 13.286 12.542 11.768 10.962 10.127 9.267 8.394 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 62.282 56.688 51.815 47.538 43.752 40.368 37.319 34.551 32.019 29.687 27.524 25.505 23.606 21.808 20.086 16.816 16.168 15.516 14.859 14.192 13.513 12.817 12.101 11.363 10.603 9.823 9.028 8.224 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 62.326 56.730 51.855 47.577 43.789 40.405 37.356 34.587 32.056 29.725 27.564 25.548 23.654 21.862 20.151 16.909 16.272 15.635 14.996 14.351 13.699 13.036 12.361 11.671 10.965 10.244 9.510 8.766 8.018 7.271 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 62.370 56.772 51.895 47.616 43.826 40.441 37.392 34.623 32.092 29.762 27.603 25.590 23.700 21.914 20.212 16.995 16.368 15.742 15.116 14.488 13.857 13.219 12.573 11.918 11.252 10.575 9.888 9.192 8.492 7.790 7.091 99999.999 99999.999 99999.999 99999.999 99999.999 62.414 56.814 51.935 47.654 43.863 40.477 37.427 34.659 32.128 29.799 27.642 25.631 23.745 21.964 20.270 17.075 16.455 15.839 15.224 14.610 13.994 13.376 12.752 12.123 11.487 10.843 10.192 9.535 8.874 8.210 7.547 6.888 6.237 99999.999 99999.999 99999.999 62.458 56.856 51.975 47.692 43.900 40.513 37.463 34.694 32.164 29.836 27.680 25.671 23.788 22.012 20.325 17.150 16.537 15.928 15.323 14.720 14.117 13.513 12.907 12.298 11.685 11.067 10.445 9.818 9.188 8.556 7.924 7.295 6.671 6.055 99999.999 99999.999 62.501 56.897 52.014 47.730 43.937 40.549 37.498 34.729 32.199 29.872 27.717 25.711 23.831 22.059 20.377 17.221 16.613 16.012 15.414 14.820 14.227 13.636 13.044 12.451 11.857 11.259 10.659 10.057 9.452 8.846 8.241 7.638 7.038 6.445 5.859 5.283 62.543 56.938 52.053 47.767 43.973 40.584 37.533 34.764 32.234 29.908 27.754 25.750 23.872 22.104 20.428 17.288 16.686 16.090 15.499 14.912 14.328 13.747 13.167 12.587 12.007 11.427 10.845 10.262 9.678 9.094 8.511 7.930 7.351 6.778 6.211 5.653 62.954 57.333 52.431 48.129 44.322 40.925 37.867 35.096 32.568 30.246 28.102 26.111 24.253 22.510 20.868 17.833 17.260 16.697 16.142 15.597 15.059 14.528 14.005 13.488 12.977 12.473 11.973 11.479 10.990 10.505 10.025 9.550 9.079 8.613 8.152 7.695 63.338 57.706 52.788 48.472 44.653 41.245 38.181 35.406 32.877 30.557 28.417 26.434 24.587 22.859 21.235 18.253 17.693 17.145 16.606 16.077 15.558 15.047 14.545 14.051 13.565 13.086 12.614 12.149 11.690 11.238 10.792 10.351 9.917 9.487 9.063 8.645 63.701 58.060 53.127 48.798 44.967 41.550 38.479 35.699 33.167 30.847 28.709 26.730 24.889 23.170 21.558 18.607 18.055 17.515 16.985 16.466 15.957 15.457 14.966 14.484 14.011 13.545 13.087 12.637 12.193 11.757 11.327 10.903 10.486 10.075 9.669 9.269 64.047 58.399 53.453 49.111 45.269 41.842 38.764 35.978 33.442 31.120 28.983 27.006 25.169 23.455 21.850 18.920 18.373 17.838 17.314 16.800 16.297 15.804 15.321 14.846 14.380 13.923 13.473 13.031 12.597 12.170 11.750 11.336 10.929 10.529 10.134 9.745 64.379 58.725 53.767 49.412 45.559 42.123 39.037 36.245 33.705 31.380 29.242 27.265 25.430 23.720 22.120 19.203 18.659 18.128 17.608 17.098 16.600 16.111 15.632 15.162 14.702 14.249 13.805 13.369 12.941 12.520 12.106 11.699 11.299 10.905 10.517 10.135 64.698 59.039 54.070 49.703 45.840 42.394 39.300 36.502 33.957 31.629 29.489 27.511 25.677 23.969 22.372 19.464 18.923 18.394 17.876 17.370 16.874 16.388 15.912 15.446 14.989 14.540 14.100 13.668 13.244 12.827 12.418 12.015 11.619 11.230 10.847 10.470 65.008 59.345 54.364 49.986 46.112 42.657 39.555 36.751 34.201 31.869 29.726 27.747 25.912 24.205 22.609 19.708 19.168 18.640 18.125 17.620 17.126 16.643 16.170 15.706 15.251 14.805 14.368 13.939 13.517 13.104 12.697 12.298 11.905 11.519 11.139 10.766 99999.999 59.642 54.651 50.261 46.376 42.913 39.803 36.992 34.437 32.100 29.954 27.973 26.138 24.430 22.835 19.937 19.398 18.872 18.358 17.854 17.362 16.880 16.409 15.946 15.494 15.050 14.614 14.187 13.768 13.356 12.952 12.555 12.164 11.781 11.404 11.032 CN- CN- P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 6 -1.250 1 -2.000 2 -0.250 4 1.000 32 1.000 5 0.250 6 33.582 30.712 28.286 26.201 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.582 30.712 28.286 26.201 24.388 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.582 30.713 28.286 26.201 24.388 22.795 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.583 30.713 28.287 26.202 24.389 22.796 21.384 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.584 30.714 28.288 26.203 24.390 22.797 21.385 20.124 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.586 30.716 28.289 26.205 24.391 22.798 21.386 20.126 18.993 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.590 30.719 28.292 26.207 24.394 22.800 21.388 20.127 18.995 17.972 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.594 30.723 28.295 26.210 24.397 22.803 21.391 20.130 18.998 17.975 17.047 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.600 30.728 28.300 26.215 24.401 22.807 21.395 20.134 19.001 17.978 17.051 16.208 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.608 30.735 28.307 26.221 24.407 22.813 21.401 20.140 19.006 17.983 17.055 16.212 15.446 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.618 30.744 28.315 26.229 24.415 22.820 21.408 20.146 19.013 17.989 17.061 16.217 15.449 14.758 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.631 30.756 28.326 26.239 24.424 22.830 21.417 20.155 19.022 17.998 17.069 16.223 15.454 14.758 14.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.641 30.765 28.335 26.247 24.432 22.837 21.424 20.162 19.028 18.004 17.075 16.229 15.458 14.759 14.141 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.656 30.778 28.347 26.259 24.443 22.847 21.434 20.172 19.038 18.013 17.083 16.237 15.464 14.762 14.133 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.670 30.791 28.359 26.270 24.453 22.858 21.444 20.181 19.047 18.022 17.092 16.245 15.471 14.766 14.129 13.215 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.683 30.804 28.370 26.281 24.464 22.868 21.454 20.191 19.056 18.031 17.101 16.253 15.478 14.770 14.128 13.038 12.913 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.697 30.816 28.382 26.292 24.475 22.878 21.464 20.201 19.066 18.040 17.109 16.261 15.485 14.775 14.129 13.000 12.823 12.676 12.572 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.710 30.828 28.393 26.303 24.485 22.888 21.473 20.210 19.075 18.049 17.118 16.269 15.492 14.781 14.132 12.986 12.792 12.615 12.459 12.330 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.724 30.840 28.405 26.314 24.495 22.898 21.483 20.220 19.084 18.058 17.126 16.277 15.500 14.787 14.135 12.979 12.778 12.589 12.414 12.255 12.114 11.992 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.737 30.852 28.416 26.324 24.506 22.908 21.493 20.229 19.093 18.067 17.135 16.285 15.507 14.794 14.139 12.978 12.772 12.577 12.391 12.218 12.058 11.912 11.780 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.749 30.864 28.427 26.335 24.516 22.918 21.502 20.238 19.102 18.076 17.144 16.293 15.515 14.800 14.144 12.978 12.770 12.571 12.380 12.199 12.028 11.868 11.720 11.582 11.453 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.762 30.876 28.438 26.346 24.526 22.928 21.512 20.248 19.111 18.085 17.152 16.301 15.522 14.807 14.149 12.981 12.771 12.568 12.374 12.189 12.011 11.843 11.685 11.535 11.394 11.261 11.135 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.774 30.888 28.449 26.356 24.536 22.938 21.521 20.257 19.120 18.094 17.161 16.310 15.530 14.814 14.155 12.984 12.773 12.569 12.372 12.183 12.002 11.829 11.663 11.506 11.357 11.215 11.080 10.950 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.787 30.899 28.460 26.366 24.546 22.947 21.531 20.266 19.129 18.102 17.169 16.318 15.538 14.821 14.161 12.988 12.776 12.570 12.372 12.181 11.997 11.820 11.650 11.488 11.332 11.184 11.042 10.906 10.774 10.647 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.799 30.911 28.471 26.377 24.556 22.957 21.540 20.275 19.138 18.111 17.178 16.326 15.546 14.829 14.168 12.993 12.780 12.573 12.374 12.181 11.995 11.815 11.642 11.476 11.317 11.163 11.016 10.875 10.738 10.606 10.478 99999.999 99999.999 99999.999 99999.999 99999.999 33.811 30.922 28.482 26.387 24.566 22.966 21.549 20.284 19.147 18.120 17.186 16.334 15.554 14.836 14.175 12.998 12.784 12.577 12.377 12.182 11.995 11.813 11.638 11.469 11.307 11.150 10.999 10.853 10.713 10.577 10.445 10.317 10.191 99999.999 99999.999 99999.999 33.822 30.933 28.492 26.397 24.576 22.976 21.558 20.293 19.156 18.128 17.195 16.342 15.562 14.844 14.182 13.004 12.789 12.582 12.380 12.185 11.996 11.813 11.636 11.465 11.300 11.141 10.987 10.838 10.694 10.555 10.420 10.289 10.161 10.036 99999.999 99999.999 33.834 30.944 28.503 26.407 24.585 22.985 21.568 20.302 19.165 18.137 17.203 16.351 15.570 14.852 14.189 13.010 12.795 12.586 12.384 12.188 11.998 11.814 11.636 11.464 11.297 11.135 10.979 10.828 10.681 10.540 10.402 10.268 10.138 10.011 9.886 9.764 33.845 30.955 28.513 26.417 24.595 22.995 21.577 20.311 19.173 18.145 17.211 16.359 15.578 14.859 14.196 13.016 12.801 12.592 12.389 12.192 12.002 11.817 11.638 11.464 11.295 11.132 10.974 10.821 10.673 10.529 10.389 10.253 10.120 9.991 9.865 9.741 33.951 31.058 28.613 26.514 24.688 23.085 21.665 20.397 19.258 18.228 17.292 16.438 15.655 14.935 14.270 13.082 12.865 12.654 12.448 12.249 12.054 11.865 11.681 11.502 11.328 11.158 10.993 10.831 10.674 10.521 10.372 10.227 10.085 9.946 9.811 9.679 34.044 31.153 28.706 26.604 24.776 23.171 21.749 20.479 19.338 18.307 17.370 16.514 15.730 15.009 14.342 13.151 12.933 12.721 12.514 12.313 12.118 11.927 11.742 11.561 11.385 11.214 11.046 10.883 10.724 10.568 10.417 10.268 10.124 9.982 9.844 9.709 34.126 31.239 28.792 26.688 24.859 23.252 21.828 20.557 19.415 18.382 17.444 16.587 15.802 15.079 14.412 13.218 12.999 12.787 12.580 12.378 12.182 11.991 11.805 11.623 11.447 11.274 11.106 10.942 10.781 10.625 10.472 10.323 10.177 10.035 9.895 9.759 34.200 31.319 28.873 26.768 24.937 23.329 21.904 20.631 19.488 18.454 17.515 16.657 15.871 15.147 14.479 13.283 13.064 12.851 12.644 12.442 12.245 12.054 11.867 11.685 11.508 11.335 11.166 11.001 10.841 10.684 10.530 10.380 10.234 10.091 9.951 9.814 34.267 31.394 28.949 26.844 25.012 23.403 21.976 20.702 19.558 18.523 17.583 16.724 15.937 15.212 14.543 13.346 13.127 12.913 12.705 12.503 12.306 12.114 11.928 11.745 11.568 11.394 11.225 11.060 10.899 10.742 10.588 10.438 10.291 10.147 10.007 9.870 34.327 31.463 29.020 26.916 25.084 23.473 22.045 20.771 19.625 18.589 17.648 16.789 16.001 15.275 14.605 13.407 13.187 12.973 12.765 12.563 12.365 12.173 11.986 11.804 11.626 11.452 11.283 11.117 10.956 10.798 10.644 10.494 10.347 10.203 10.062 9.924 34.381 31.527 29.088 26.985 25.152 23.541 22.112 20.836 19.690 18.653 17.711 16.851 16.062 15.336 14.665 13.465 13.245 13.031 12.823 12.620 12.423 12.230 12.043 11.860 11.682 11.508 11.338 11.173 11.011 10.853 10.699 10.548 10.401 10.257 10.116 9.978 99999.999 31.588 29.153 27.050 25.217 23.605 22.176 20.900 19.752 18.715 17.772 16.911 16.121 15.394 14.722 13.521 13.301 13.087 12.878 12.675 12.478 12.285 12.098 11.915 11.736 11.562 11.392 11.227 11.065 10.907 10.752 10.601 10.454 10.309 10.168 10.030 CN- CN- P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 5 -1.000 1 -2.000 2 -0.500 31 1.000 32 1.000 5 71.607 65.292 59.896 55.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.607 65.292 59.896 55.230 51.150 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.608 65.292 59.896 55.230 51.151 47.550 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.609 65.294 59.898 55.231 51.152 47.551 44.344 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.612 65.296 59.900 55.234 51.154 47.553 44.346 41.468 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.616 65.300 59.903 55.237 51.157 47.556 44.349 41.471 38.870 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.622 65.305 59.909 55.242 51.162 47.561 44.354 41.476 38.875 36.508 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.631 65.314 59.916 55.249 51.169 47.567 44.360 41.482 38.882 36.515 34.346 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.643 65.325 59.927 55.259 51.179 47.577 44.369 41.491 38.891 36.524 34.356 32.356 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.659 65.340 59.941 55.272 51.191 47.589 44.381 41.503 38.903 36.537 34.370 32.370 30.509 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.680 65.359 59.959 55.290 51.208 47.605 44.397 41.519 38.918 36.553 34.387 32.389 30.532 28.779 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.707 65.384 59.982 55.312 51.229 47.625 44.417 41.539 38.938 36.573 34.408 32.413 30.559 28.817 27.122 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.728 65.403 60.000 55.329 51.245 47.641 44.433 41.554 38.954 36.589 34.425 32.431 30.580 28.844 27.176 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.757 65.431 60.026 55.353 51.269 47.664 44.455 41.576 38.976 36.611 34.448 32.456 30.609 28.881 27.235 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.786 65.458 60.051 55.377 51.292 47.686 44.477 41.598 38.998 36.634 34.471 32.481 30.637 28.914 27.283 23.884 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.815 65.485 60.077 55.401 51.315 47.709 44.499 41.620 39.019 36.655 34.494 32.505 30.663 28.946 27.325 24.243 23.538 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.844 65.511 60.102 55.425 51.338 47.731 44.520 41.641 39.041 36.677 34.516 32.528 30.689 28.976 27.363 24.362 23.751 23.108 22.413 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.873 65.538 60.127 55.449 51.361 47.753 44.542 41.662 39.062 36.698 34.538 32.551 30.714 29.004 27.399 24.437 23.857 23.269 22.664 22.034 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.901 65.564 60.151 55.472 51.383 47.775 44.563 41.683 39.083 36.719 34.559 32.574 30.738 29.031 27.432 24.495 23.930 23.366 22.798 22.222 21.634 21.033 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.929 65.590 60.176 55.496 51.405 47.796 44.584 41.704 39.103 36.740 34.581 32.596 30.762 29.058 27.463 24.544 23.988 23.437 22.889 22.340 21.787 21.229 20.665 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.957 65.616 60.200 55.519 51.428 47.818 44.605 41.725 39.124 36.761 34.602 32.618 30.785 29.083 27.492 24.587 24.037 23.495 22.958 22.424 21.892 21.360 20.826 20.291 19.757 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.984 65.642 60.225 55.542 51.450 47.839 44.626 41.745 39.144 36.781 34.623 32.640 30.808 29.108 27.520 24.625 24.080 23.544 23.014 22.491 21.972 21.456 20.942 20.429 19.918 19.409 18.905 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.011 65.667 60.249 55.565 51.472 47.860 44.647 41.765 39.164 36.802 34.643 32.661 30.830 29.132 27.547 24.661 24.119 23.587 23.063 22.547 22.037 21.532 21.031 20.533 20.039 19.547 19.060 18.578 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.038 65.693 60.272 55.587 51.493 47.881 44.667 41.785 39.184 36.822 34.663 32.682 30.852 29.155 27.573 24.694 24.155 23.626 23.107 22.596 22.093 21.595 21.104 20.617 20.134 19.656 19.182 18.714 18.251 17.795 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.065 65.718 60.296 55.610 51.515 47.902 44.687 41.805 39.204 36.841 34.684 32.702 30.874 29.178 27.598 24.725 24.188 23.663 23.147 22.640 22.141 21.650 21.165 20.686 20.213 19.745 19.281 18.823 18.371 17.925 17.486 99999.999 99999.999 99999.999 99999.999 99999.999 72.092 65.743 60.320 55.632 51.536 47.923 44.708 41.825 39.224 36.861 34.703 32.722 30.895 29.200 27.622 24.755 24.220 23.697 23.183 22.680 22.185 21.698 21.219 20.746 20.279 19.819 19.364 18.915 18.471 18.034 17.603 17.179 16.763 99999.999 99999.999 99999.999 72.118 65.768 60.343 55.655 51.558 47.943 44.728 41.845 39.243 36.881 34.723 32.742 30.915 29.222 27.645 24.783 24.250 23.729 23.218 22.717 22.225 21.742 21.266 20.799 20.337 19.883 19.435 18.992 18.556 18.126 17.702 17.285 16.875 16.472 99999.999 99999.999 72.144 65.792 60.366 55.677 51.579 47.964 44.748 41.864 39.263 36.900 34.743 32.762 30.936 29.243 27.668 24.810 24.279 23.759 23.250 22.751 22.262 21.782 21.310 20.846 20.389 19.939 19.496 19.060 18.629 18.205 17.787 17.376 16.971 16.574 16.184 15.801 72.170 65.817 60.389 55.699 51.600 47.984 44.767 41.884 39.282 36.919 34.762 32.782 30.956 29.264 27.690 24.837 24.306 23.788 23.280 22.784 22.297 21.819 21.350 20.889 20.436 19.990 19.551 19.119 18.694 18.274 17.862 17.456 17.056 16.663 16.277 15.898 72.420 66.053 60.613 55.912 51.804 48.181 44.959 42.071 39.467 37.103 34.946 32.968 31.145 29.459 27.893 25.065 24.541 24.031 23.533 23.046 22.570 22.105 21.650 21.204 20.768 20.341 19.922 19.512 19.109 18.714 18.326 17.945 17.572 17.205 16.844 16.490 72.654 66.276 60.825 56.114 51.998 48.368 45.140 42.249 39.641 37.275 35.117 33.139 31.318 29.634 28.071 25.255 24.735 24.228 23.734 23.251 22.780 22.320 21.870 21.430 21.000 20.579 20.167 19.764 19.369 18.982 18.602 18.230 17.865 17.508 17.157 16.812 72.875 66.488 61.027 56.307 52.183 48.547 45.313 42.417 39.806 37.438 35.278 33.299 31.478 29.796 28.235 25.425 24.907 24.401 23.909 23.429 22.960 22.502 22.055 21.618 21.191 20.773 20.365 19.965 19.574 19.190 18.815 18.447 18.087 17.733 17.387 17.047 73.086 66.691 61.221 56.492 52.361 48.718 45.479 42.579 39.964 37.593 35.431 33.451 31.630 29.947 28.387 25.580 25.063 24.559 24.067 23.588 23.121 22.664 22.219 21.784 21.358 20.943 20.536 20.138 19.749 19.368 18.995 18.630 18.272 17.921 17.577 17.240 73.287 66.887 61.408 56.671 52.532 48.883 45.639 42.734 40.116 37.742 35.578 33.596 31.773 30.090 28.530 25.724 25.208 24.704 24.214 23.735 23.269 22.813 22.368 21.934 21.510 21.095 20.690 20.294 19.906 19.526 19.155 18.791 18.434 18.085 17.743 17.407 73.481 67.075 61.589 56.844 52.698 49.043 45.794 42.885 40.262 37.885 35.719 33.735 31.911 30.226 28.666 25.861 25.344 24.841 24.351 23.873 23.406 22.951 22.507 22.074 21.650 21.236 20.832 20.436 20.049 19.670 19.300 18.937 18.581 18.233 17.892 17.558 73.668 67.257 61.764 57.011 52.859 49.198 45.944 43.030 40.404 38.023 35.854 33.869 32.043 30.357 28.795 25.990 25.473 24.970 24.480 24.002 23.536 23.081 22.638 22.204 21.781 21.368 20.964 20.568 20.182 19.804 19.434 19.072 18.717 18.369 18.029 17.695 99999.999 67.434 61.934 57.174 53.016 49.349 46.090 43.171 40.541 38.158 35.986 33.998 32.170 30.483 28.920 26.113 25.597 25.093 24.603 24.125 23.659 23.205 22.761 22.328 21.905 21.492 21.088 20.693 20.307 19.929 19.559 19.197 18.843 18.496 18.156 17.823 OCN- OCN- P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 4 -1.000 1 -2.000 2 1.000 5 1.000 32 18.261 16.578 15.137 13.886 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.261 16.578 15.137 13.886 12.787 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.262 16.579 15.138 13.887 12.787 11.811 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.263 16.579 15.138 13.887 12.788 11.812 10.937 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.264 16.581 15.140 13.888 12.789 11.813 10.938 10.147 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.267 16.583 15.142 13.890 12.791 11.815 10.940 10.149 9.429 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.271 16.586 15.145 13.893 12.794 11.817 10.942 10.152 9.432 8.771 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.276 16.591 15.149 13.898 12.798 11.821 10.946 10.156 9.436 8.775 8.164 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.284 16.598 15.155 13.903 12.803 11.827 10.952 10.161 9.441 8.781 8.171 7.601 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.294 16.607 15.164 13.911 12.811 11.834 10.959 10.168 9.449 8.789 8.179 7.610 7.073 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.307 16.618 15.174 13.921 12.820 11.843 10.968 10.178 9.458 8.799 8.189 7.621 7.087 6.577 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.324 16.633 15.188 13.934 12.832 11.855 10.980 10.189 9.470 8.811 8.202 7.636 7.103 6.597 6.104 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.337 16.644 15.198 13.943 12.842 11.864 10.989 10.199 9.480 8.821 8.213 7.647 7.116 6.612 6.122 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.355 16.660 15.213 13.957 12.855 11.877 11.002 10.212 9.493 8.834 8.227 7.662 7.133 6.632 6.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.373 16.676 15.227 13.971 12.868 11.890 11.015 10.225 9.506 8.848 8.241 7.678 7.150 6.652 6.173 5.360 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.391 16.692 15.242 13.985 12.882 11.903 11.028 10.237 9.519 8.861 8.255 7.692 7.167 6.671 6.196 5.371 5.211 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.409 16.707 15.256 13.998 12.895 11.916 11.040 10.250 9.532 8.874 8.269 7.707 7.183 6.690 6.219 5.389 5.230 5.071 4.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.426 16.723 15.270 14.012 12.907 11.928 11.052 10.262 9.544 8.887 8.282 7.721 7.198 6.707 6.240 5.409 5.250 5.092 4.936 4.777 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.443 16.738 15.284 14.025 12.920 11.941 11.065 10.274 9.557 8.900 8.295 7.735 7.214 6.724 6.260 5.429 5.270 5.114 4.959 4.806 4.651 4.492 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.459 16.752 15.298 14.038 12.933 11.953 11.077 10.287 9.569 8.912 8.308 7.749 7.228 6.740 6.279 5.448 5.290 5.134 4.981 4.830 4.680 4.529 4.377 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.476 16.767 15.311 14.051 12.945 11.965 11.089 10.299 9.581 8.925 8.321 7.762 7.243 6.756 6.297 5.467 5.309 5.154 5.002 4.852 4.704 4.557 4.411 4.263 4.114 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.492 16.782 15.325 14.064 12.958 11.977 11.101 10.311 9.593 8.937 8.334 7.776 7.257 6.772 6.315 5.485 5.328 5.174 5.022 4.873 4.727 4.582 4.438 4.295 4.152 4.009 3.866 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.508 16.796 15.338 14.076 12.970 11.989 11.113 10.322 9.605 8.949 8.346 7.789 7.270 6.786 6.331 5.502 5.346 5.192 5.042 4.894 4.748 4.605 4.463 4.322 4.183 4.045 3.906 3.769 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.523 16.810 15.351 14.089 12.982 12.001 11.124 10.334 9.616 8.961 8.358 7.801 7.284 6.801 6.347 5.519 5.363 5.211 5.061 4.913 4.769 4.626 4.486 4.347 4.210 4.074 3.939 3.806 3.673 3.541 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.539 16.824 15.364 14.101 12.994 12.013 11.136 10.345 9.628 8.973 8.370 7.814 7.297 6.815 6.362 5.535 5.380 5.228 5.079 4.932 4.788 4.647 4.507 4.370 4.234 4.100 3.968 3.837 3.707 3.579 3.452 99999.999 99999.999 99999.999 99999.999 99999.999 18.554 16.838 15.377 14.113 13.006 12.024 11.147 10.357 9.640 8.984 8.382 7.826 7.310 6.828 6.377 5.551 5.397 5.245 5.097 4.951 4.807 4.666 4.528 4.391 4.257 4.125 3.994 3.865 3.737 3.611 3.487 3.364 3.243 99999.999 99999.999 99999.999 18.569 16.851 15.390 14.125 13.017 12.036 11.159 10.368 9.651 8.996 8.394 7.838 7.322 6.841 6.391 5.567 5.413 5.262 5.114 4.968 4.826 4.685 4.548 4.412 4.279 4.147 4.018 3.890 3.764 3.640 3.517 3.396 3.277 3.160 99999.999 99999.999 18.583 16.865 15.403 14.138 13.029 12.047 11.170 10.379 9.662 9.007 8.406 7.850 7.335 6.854 6.405 5.582 5.429 5.278 5.130 4.986 4.843 4.704 4.567 4.432 4.299 4.169 4.040 3.914 3.789 3.666 3.545 3.425 3.308 3.192 3.079 2.967 18.598 16.878 15.415 14.149 13.040 12.058 11.181 10.390 9.673 9.019 8.417 7.862 7.347 6.867 6.418 5.597 5.444 5.294 5.147 5.002 4.861 4.722 4.585 4.451 4.319 4.189 4.062 3.936 3.812 3.690 3.570 3.452 3.336 3.221 3.109 2.998 18.733 17.003 15.533 14.263 13.150 12.166 11.287 10.496 9.779 9.125 8.526 7.973 7.462 6.986 6.541 5.733 5.582 5.435 5.291 5.150 5.012 4.877 4.745 4.615 4.487 4.362 4.240 4.119 4.001 3.885 3.770 3.658 3.548 3.439 3.333 3.228 18.851 17.116 15.641 14.367 13.251 12.265 11.385 10.593 9.876 9.223 8.625 8.074 7.564 7.091 6.650 5.849 5.700 5.555 5.413 5.274 5.138 5.006 4.875 4.748 4.623 4.501 4.381 4.263 4.147 4.034 3.923 3.813 3.706 3.600 3.497 3.395 18.957 17.218 15.740 14.463 13.345 12.357 11.475 10.683 9.966 9.314 8.716 8.166 7.658 7.187 6.748 5.952 5.805 5.661 5.520 5.383 5.249 5.117 4.989 4.863 4.740 4.619 4.501 4.385 4.271 4.159 4.050 3.943 3.837 3.734 3.632 3.532 19.051 17.312 15.831 14.552 13.432 12.443 11.561 10.768 10.051 9.398 8.801 8.252 7.745 7.275 6.838 6.046 5.900 5.757 5.617 5.481 5.347 5.217 5.090 4.965 4.843 4.723 4.606 4.492 4.379 4.269 4.161 4.055 3.951 3.849 3.749 3.650 19.136 17.398 15.916 14.635 13.515 12.524 11.641 10.847 10.130 9.477 8.880 8.332 7.826 7.357 6.921 6.132 5.986 5.844 5.705 5.570 5.437 5.308 5.181 5.057 4.936 4.818 4.702 4.588 4.477 4.367 4.260 4.155 4.052 3.951 3.852 3.755 19.213 17.477 15.996 14.714 13.592 12.600 11.716 10.922 10.204 9.552 8.955 8.407 7.902 7.433 6.998 6.212 6.067 5.925 5.787 5.652 5.520 5.391 5.265 5.142 5.022 4.904 4.789 4.676 4.565 4.457 4.350 4.246 4.144 4.044 3.946 3.849 19.283 17.551 16.070 14.787 13.665 12.672 11.788 10.993 10.275 9.622 9.026 8.478 7.973 7.505 7.071 6.287 6.142 6.001 5.863 5.728 5.597 5.469 5.343 5.221 5.101 4.984 4.869 4.757 4.647 4.539 4.433 4.330 4.228 4.128 4.031 3.935 99999.999 17.619 16.140 14.857 13.734 12.741 11.856 11.061 10.342 9.689 9.093 8.545 8.041 7.573 7.140 6.357 6.212 6.071 5.934 5.800 5.669 5.541 5.416 5.294 5.175 5.058 4.943 4.832 4.722 4.615 4.510 4.407 4.306 4.207 4.109 4.014 SCN- SCN- P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 4 -3.000 2 1.000 5 1.000 32 1.000 6 7.118 6.237 5.405 4.620 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.118 6.237 5.405 4.620 3.875 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.119 6.238 5.406 4.620 3.875 3.163 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.120 6.239 5.407 4.621 3.876 3.164 2.478 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.123 6.241 5.408 4.623 3.878 3.166 2.480 1.812 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.126 6.244 5.411 4.626 3.881 3.169 2.483 1.815 1.160 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.132 6.249 5.416 4.630 3.885 3.173 2.487 1.821 1.165 0.513 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.140 6.255 5.422 4.636 3.891 3.180 2.494 1.828 1.174 0.522 -0.139 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.151 6.265 5.430 4.644 3.899 3.188 2.503 1.838 1.185 0.536 -0.122 -0.809 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.166 6.277 5.442 4.655 3.910 3.200 2.516 1.851 1.200 0.554 -0.100 -0.780 -1.512 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.185 6.293 5.456 4.669 3.925 3.214 2.531 1.869 1.220 0.577 -0.072 -0.743 -1.459 -2.276 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.209 6.313 5.475 4.688 3.943 3.233 2.552 1.891 1.245 0.605 -0.037 -0.697 -1.395 -2.174 -3.182 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.228 6.329 5.489 4.702 3.957 3.248 2.567 1.908 1.264 0.627 -0.011 -0.663 -1.348 -2.103 -3.041 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.254 6.351 5.510 4.721 3.977 3.268 2.589 1.932 1.290 0.658 0.026 -0.616 -1.285 -2.009 -2.876 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.279 6.373 5.530 4.741 3.996 3.289 2.610 1.955 1.316 0.688 0.062 -0.571 -1.225 -1.923 -2.735 -4.687 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.304 6.394 5.550 4.760 4.016 3.309 2.631 1.978 1.342 0.717 0.096 -0.529 -1.169 -1.845 -2.611 -4.030 -4.593 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.329 6.415 5.569 4.779 4.035 3.328 2.652 2.000 1.367 0.745 0.129 -0.488 -1.116 -1.773 -2.500 -3.809 -4.194 -4.676 -5.340 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.353 6.436 5.588 4.798 4.054 3.348 2.673 2.022 1.391 0.773 0.161 -0.449 -1.067 -1.705 -2.400 -3.659 -3.988 -4.359 -4.795 -5.337 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.376 6.456 5.607 4.816 4.072 3.367 2.693 2.044 1.415 0.799 0.193 -0.411 -1.020 -1.643 -2.309 -3.539 -3.840 -4.164 -4.521 -4.927 -5.402 -5.962 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.399 6.476 5.626 4.834 4.090 3.385 2.713 2.065 1.438 0.826 0.223 -0.375 -0.975 -1.585 -2.227 -3.438 -3.720 -4.017 -4.334 -4.679 -5.062 -5.492 -5.979 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.422 6.496 5.644 4.852 4.108 3.404 2.732 2.086 1.461 0.851 0.252 -0.341 -0.933 -1.531 -2.153 -3.348 -3.616 -3.896 -4.189 -4.500 -4.834 -5.197 -5.595 -6.031 -6.505 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.444 6.515 5.662 4.870 4.126 3.422 2.751 2.107 1.484 0.877 0.281 -0.307 -0.893 -1.481 -2.085 -3.266 -3.525 -3.791 -4.068 -4.357 -4.662 -4.985 -5.331 -5.703 -6.101 -6.526 -6.973 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.466 6.534 5.680 4.887 4.143 3.440 2.770 2.127 1.506 0.901 0.309 -0.275 -0.854 -1.434 -2.024 -3.192 -3.442 -3.699 -3.963 -4.236 -4.520 -4.818 -5.131 -5.462 -5.812 -6.182 -6.569 -6.971 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.487 6.553 5.698 4.904 4.161 3.458 2.789 2.147 1.528 0.925 0.336 -0.244 -0.818 -1.390 -1.968 -3.123 -3.366 -3.614 -3.869 -4.130 -4.400 -4.679 -4.970 -5.273 -5.591 -5.922 -6.267 -6.624 -6.991 -7.364 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.508 6.571 5.715 4.921 4.178 3.476 2.807 2.167 1.549 0.949 0.362 -0.214 -0.783 -1.349 -1.916 -3.058 -3.296 -3.537 -3.783 -4.035 -4.293 -4.559 -4.833 -5.117 -5.411 -5.715 -6.030 -6.355 -6.688 -7.026 -7.368 99999.999 99999.999 99999.999 99999.999 99999.999 7.529 6.589 5.732 4.938 4.195 3.493 2.826 2.187 1.570 0.972 0.388 -0.185 -0.750 -1.310 -1.869 -2.997 -3.230 -3.465 -3.705 -3.949 -4.198 -4.453 -4.714 -4.983 -5.259 -5.544 -5.837 -6.137 -6.444 -6.756 -7.071 -7.388 -7.702 99999.999 99999.999 99999.999 7.549 6.607 5.749 4.955 4.211 3.510 2.844 2.206 1.591 0.995 0.413 -0.156 -0.717 -1.272 -1.825 -2.940 -3.168 -3.398 -3.632 -3.869 -4.110 -4.357 -4.608 -4.865 -5.128 -5.397 -5.673 -5.955 -6.242 -6.533 -6.827 -7.123 -7.418 -7.710 99999.999 99999.999 7.568 6.625 5.766 4.971 4.228 3.527 2.861 2.224 1.611 1.017 0.438 -0.129 -0.686 -1.237 -1.784 -2.885 -3.109 -3.335 -3.563 -3.795 -4.030 -4.269 -4.511 -4.759 -5.011 -5.269 -5.531 -5.798 -6.069 -6.344 -6.622 -6.901 -7.179 -7.456 -7.730 -7.999 7.588 6.642 5.782 4.987 4.244 3.544 2.879 2.243 1.631 1.039 0.462 -0.102 -0.656 -1.203 -1.745 -2.833 -3.053 -3.275 -3.499 -3.726 -3.955 -4.187 -4.423 -4.663 -4.906 -5.153 -5.405 -5.660 -5.919 -6.181 -6.444 -6.710 -6.975 -7.239 -7.500 -7.758 7.762 6.802 5.935 5.138 4.396 3.700 3.042 2.416 1.817 1.240 0.683 0.141 -0.386 -0.903 -1.409 -2.403 -2.600 -2.796 -2.992 -3.188 -3.385 -3.581 -3.778 -3.975 -4.173 -4.371 -4.570 -4.769 -4.968 -5.168 -5.368 -5.569 -5.769 -5.969 -6.169 -6.368 7.906 6.939 6.070 5.273 4.532 3.840 3.187 2.569 1.980 1.415 0.872 0.347 -0.162 -0.657 -1.140 -2.076 -2.259 -2.441 -2.623 -2.803 -2.983 -3.162 -3.341 -3.519 -3.697 -3.874 -4.051 -4.227 -4.403 -4.579 -4.755 -4.930 -5.105 -5.279 -5.453 -5.627 8.027 7.059 6.190 5.393 4.656 3.967 3.319 2.707 2.125 1.570 1.038 0.526 0.032 -0.447 -0.912 -1.808 -1.982 -2.155 -2.326 -2.497 -2.666 -2.834 -3.001 -3.167 -3.333 -3.497 -3.661 -3.824 -3.986 -4.148 -4.309 -4.470 -4.630 -4.789 -4.948 -5.106 8.127 7.164 6.297 5.502 4.767 4.082 3.439 2.832 2.257 1.710 1.187 0.686 0.203 -0.264 -0.715 -1.579 -1.747 -1.913 -2.077 -2.240 -2.401 -2.562 -2.721 -2.878 -3.035 -3.191 -3.346 -3.500 -3.652 -3.805 -3.956 -4.106 -4.256 -4.405 -4.554 -4.702 8.212 7.256 6.393 5.601 4.869 4.187 3.548 2.947 2.378 1.837 1.322 0.829 0.355 -0.101 -0.541 -1.380 -1.542 -1.703 -1.861 -2.018 -2.174 -2.328 -2.481 -2.633 -2.783 -2.932 -3.080 -3.227 -3.373 -3.518 -3.662 -3.805 -3.948 -4.089 -4.230 -4.370 8.282 7.337 6.479 5.691 4.963 4.284 3.650 3.052 2.488 1.953 1.444 0.959 0.493 0.046 -0.385 -1.204 -1.361 -1.517 -1.671 -1.824 -1.975 -2.124 -2.272 -2.419 -2.564 -2.708 -2.851 -2.992 -3.133 -3.272 -3.411 -3.548 -3.685 -3.821 -3.956 -4.090 8.341 7.408 6.556 5.773 5.048 4.374 3.743 3.150 2.590 2.061 1.557 1.078 0.619 0.180 -0.243 -1.045 -1.199 -1.351 -1.502 -1.650 -1.797 -1.943 -2.087 -2.229 -2.370 -2.510 -2.649 -2.786 -2.922 -3.057 -3.191 -3.324 -3.456 -3.588 -3.718 -3.848 99999.999 7.471 6.626 5.848 5.127 4.457 3.829 3.240 2.685 2.160 1.662 1.187 0.735 0.302 -0.114 -0.901 -1.052 -1.201 -1.349 -1.494 -1.638 -1.780 -1.920 -2.060 -2.197 -2.333 -2.468 -2.602 -2.735 -2.866 -2.997 -3.126 -3.255 -3.382 -3.509 -3.635 CaCO3,aq CaCO3(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 2.000 Ref: Shock07 3 -1.000 1 1.000 9 1.000 5 7.505 7.002 6.596 6.260 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.505 7.002 6.596 6.260 5.975 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.504 7.001 6.596 6.260 5.974 5.723 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.503 7.000 6.595 6.259 5.974 5.722 5.492 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.502 6.999 6.593 6.258 5.972 5.721 5.492 5.273 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.500 6.996 6.591 6.256 5.970 5.720 5.491 5.273 5.057 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.497 6.992 6.587 6.252 5.968 5.717 5.489 5.272 5.057 4.833 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.492 6.987 6.582 6.247 5.963 5.714 5.486 5.271 5.057 4.835 4.589 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.485 6.980 6.575 6.241 5.958 5.709 5.483 5.269 5.057 4.838 4.595 4.309 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.476 6.970 6.565 6.232 5.950 5.703 5.478 5.266 5.057 4.841 4.604 4.326 3.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.465 6.956 6.552 6.220 5.940 5.694 5.472 5.263 5.057 4.845 4.614 4.347 4.017 3.577 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.449 6.939 6.535 6.205 5.926 5.683 5.464 5.258 5.056 4.850 4.627 4.372 4.063 3.659 3.035 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.437 6.926 6.523 6.193 5.916 5.675 5.457 5.253 5.055 4.853 4.636 4.390 4.096 3.717 3.139 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.420 6.906 6.504 6.176 5.901 5.662 5.447 5.247 5.053 4.856 4.647 4.414 4.139 3.793 3.279 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.402 6.887 6.485 6.159 5.885 5.649 5.437 5.241 5.050 4.859 4.657 4.435 4.179 3.862 3.404 3.229 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.384 6.867 6.466 6.141 5.870 5.636 5.427 5.234 5.047 4.861 4.666 4.455 4.214 3.924 3.517 3.303 3.159 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.366 6.847 6.447 6.124 5.855 5.623 5.417 5.226 5.044 4.862 4.674 4.472 4.246 3.979 3.618 3.357 3.238 3.086 2.811 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.348 6.828 6.428 6.106 5.839 5.610 5.406 5.219 5.040 4.863 4.681 4.487 4.275 4.029 3.707 3.416 3.304 3.179 3.024 2.798 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.330 6.808 6.408 6.088 5.823 5.596 5.395 5.211 5.036 4.863 4.686 4.501 4.300 4.073 3.785 3.473 3.366 3.252 3.124 2.971 2.769 2.487 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.311 6.787 6.389 6.071 5.807 5.582 5.384 5.203 5.031 4.862 4.691 4.513 4.323 4.112 3.854 3.525 3.424 3.318 3.203 3.075 2.924 2.739 2.502 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.292 6.767 6.370 6.053 5.791 5.569 5.373 5.194 5.026 4.861 4.695 4.524 4.343 4.146 3.914 3.573 3.478 3.378 3.272 3.156 3.029 2.883 2.711 2.504 2.258 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.273 6.747 6.350 6.035 5.775 5.555 5.361 5.186 5.020 4.859 4.698 4.533 4.361 4.176 3.965 3.618 3.528 3.433 3.334 3.228 3.113 2.987 2.847 2.686 2.502 2.292 2.056 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.254 6.727 6.330 6.017 5.759 5.541 5.350 5.177 5.015 4.857 4.701 4.541 4.376 4.202 4.008 3.659 3.574 3.484 3.390 3.291 3.186 3.073 2.950 2.815 2.665 2.499 2.316 2.116 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.235 6.706 6.311 5.998 5.743 5.526 5.338 5.168 5.009 4.855 4.703 4.548 4.390 4.224 4.045 3.697 3.616 3.531 3.442 3.349 3.251 3.147 3.036 2.917 2.788 2.648 2.497 2.334 2.162 1.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.216 6.685 6.291 5.980 5.726 5.512 5.326 5.158 5.002 4.852 4.704 4.554 4.401 4.243 4.076 3.733 3.655 3.575 3.491 3.403 3.311 3.214 3.111 3.003 2.888 2.765 2.634 2.496 2.351 2.200 2.046 99999.999 99999.999 99999.999 99999.999 99999.999 7.196 6.665 6.271 5.962 5.710 5.498 5.314 5.149 4.996 4.849 4.704 4.559 4.412 4.260 4.101 3.766 3.692 3.615 3.535 3.452 3.365 3.274 3.179 3.078 2.973 2.862 2.746 2.624 2.497 2.366 2.233 2.099 1.967 99999.999 99999.999 99999.999 7.176 6.644 6.251 5.943 5.693 5.483 5.302 5.139 4.989 4.845 4.704 4.563 4.420 4.274 4.123 3.798 3.727 3.653 3.577 3.498 3.415 3.330 3.240 3.146 3.049 2.947 2.841 2.730 2.617 2.500 2.381 2.263 2.145 2.031 99999.999 99999.999 7.157 6.623 6.231 5.925 5.676 5.469 5.289 5.129 4.982 4.841 4.703 4.566 4.428 4.286 4.141 3.827 3.759 3.689 3.616 3.541 3.462 3.381 3.296 3.208 3.117 3.022 2.924 2.822 2.718 2.612 2.504 2.397 2.290 2.186 2.086 1.992 7.137 6.602 6.211 5.906 5.660 5.454 5.277 5.119 4.974 4.837 4.702 4.569 4.434 4.298 4.157 3.854 3.789 3.722 3.652 3.581 3.506 3.429 3.348 3.265 3.179 3.090 2.998 2.904 2.807 2.709 2.610 2.510 2.412 2.316 2.223 2.135 6.929 6.388 6.006 5.717 5.488 5.301 5.145 5.010 4.890 4.779 4.674 4.572 4.472 4.371 4.270 4.059 4.014 3.969 3.923 3.875 3.827 3.777 3.726 3.673 3.619 3.563 3.507 3.449 3.389 3.329 3.268 3.207 3.144 3.082 3.020 2.958 6.711 6.166 5.796 5.522 5.310 5.142 5.004 4.889 4.789 4.701 4.620 4.544 4.470 4.398 4.326 4.179 4.149 4.118 4.087 4.055 4.022 3.989 3.954 3.919 3.883 3.846 3.809 3.770 3.730 3.689 3.648 3.605 3.562 3.518 3.474 3.428 6.483 5.938 5.581 5.323 5.127 4.976 4.856 4.758 4.678 4.609 4.549 4.494 4.443 4.393 4.345 4.249 4.230 4.210 4.190 4.169 4.148 4.126 4.104 4.082 4.058 4.034 4.009 3.984 3.958 3.931 3.903 3.874 3.845 3.815 3.784 3.752 6.248 5.706 5.362 5.119 4.941 4.806 4.702 4.621 4.558 4.507 4.464 4.428 4.396 4.367 4.339 4.285 4.274 4.263 4.252 4.240 4.229 4.216 4.204 4.190 4.177 4.163 4.148 4.133 4.117 4.100 4.083 4.065 4.046 4.026 4.006 3.985 6.008 5.470 5.139 4.913 4.750 4.632 4.544 4.479 4.431 4.396 4.370 4.351 4.336 4.324 4.314 4.296 4.293 4.289 4.285 4.281 4.277 4.272 4.267 4.262 4.256 4.250 4.244 4.236 4.229 4.220 4.211 4.202 4.192 4.181 4.169 4.157 5.764 5.231 4.914 4.703 4.557 4.454 4.382 4.332 4.299 4.279 4.268 4.264 4.264 4.268 4.274 4.288 4.291 4.294 4.297 4.299 4.301 4.303 4.305 4.306 4.307 4.308 4.308 4.307 4.306 4.305 4.303 4.300 4.297 4.293 4.288 4.283 5.515 4.990 4.686 4.492 4.362 4.275 4.217 4.182 4.163 4.156 4.159 4.169 4.184 4.202 4.222 4.265 4.274 4.282 4.290 4.299 4.307 4.314 4.322 4.329 4.335 4.342 4.348 4.353 4.358 4.362 4.366 4.369 4.372 4.374 4.375 4.376 99999.999 4.746 4.457 4.278 4.164 4.092 4.050 4.029 4.023 4.030 4.046 4.069 4.096 4.128 4.161 4.230 4.243 4.257 4.271 4.284 4.297 4.310 4.322 4.334 4.346 4.357 4.368 4.379 4.389 4.398 4.407 4.415 4.423 4.430 4.436 4.442 Ca(HCO3)+ Ca(HCO3)(+) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 1.000 Ref: Shock07 2 1.000 5 1.000 9 -1.094 -1.047 -1.112 -1.242 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.094 -1.047 -1.112 -1.242 -1.413 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.094 -1.047 -1.112 -1.241 -1.413 -1.617 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.093 -1.046 -1.112 -1.241 -1.413 -1.617 -1.848 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.093 -1.046 -1.111 -1.241 -1.412 -1.616 -1.848 -2.104 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.091 -1.045 -1.111 -1.240 -1.412 -1.615 -1.846 -2.102 -2.383 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.089 -1.044 -1.110 -1.239 -1.410 -1.614 -1.844 -2.100 -2.380 -2.689 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.087 -1.042 -1.108 -1.237 -1.408 -1.612 -1.842 -2.096 -2.375 -2.683 -3.027 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.083 -1.039 -1.106 -1.235 -1.406 -1.609 -1.838 -2.092 -2.369 -2.675 -3.016 -3.407 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.078 -1.036 -1.103 -1.232 -1.403 -1.605 -1.833 -2.086 -2.362 -2.664 -3.001 -3.385 -3.840 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.073 -1.032 -1.100 -1.229 -1.399 -1.600 -1.827 -2.078 -2.352 -2.651 -2.982 -3.358 -3.798 -4.341 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.065 -1.027 -1.095 -1.224 -1.394 -1.594 -1.820 -2.068 -2.339 -2.634 -2.960 -3.325 -3.747 -4.259 -4.972 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.060 -1.023 -1.092 -1.221 -1.390 -1.590 -1.814 -2.061 -2.330 -2.622 -2.943 -3.300 -3.709 -4.200 -4.871 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.052 -1.018 -1.088 -1.216 -1.385 -1.583 -1.806 -2.051 -2.317 -2.605 -2.919 -3.267 -3.660 -4.122 -4.737 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.045 -1.014 -1.084 -1.212 -1.380 -1.577 -1.799 -2.042 -2.305 -2.589 -2.898 -3.236 -3.614 -4.051 -4.616 -5.175 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.038 -1.009 -1.080 -1.208 -1.376 -1.572 -1.792 -2.033 -2.293 -2.574 -2.877 -3.207 -3.571 -3.986 -4.507 -5.068 -5.281 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.032 -1.005 -1.076 -1.205 -1.371 -1.567 -1.785 -2.024 -2.282 -2.559 -2.857 -3.179 -3.532 -3.926 -4.409 -5.002 -5.184 -5.399 -5.723 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.026 -1.002 -1.073 -1.201 -1.367 -1.562 -1.779 -2.016 -2.271 -2.545 -2.839 -3.154 -3.495 -3.872 -4.321 -4.935 -5.109 -5.295 -5.510 -5.789 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.020 -0.998 -1.070 -1.198 -1.364 -1.557 -1.773 -2.008 -2.261 -2.532 -2.821 -3.130 -3.461 -3.823 -4.242 -4.873 -5.040 -5.215 -5.403 -5.615 -5.871 -6.196 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.015 -0.995 -1.068 -1.195 -1.360 -1.552 -1.767 -2.000 -2.251 -2.519 -2.804 -3.107 -3.430 -3.778 -4.172 -4.816 -4.977 -5.144 -5.320 -5.508 -5.716 -5.956 -6.240 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.010 -0.992 -1.065 -1.193 -1.357 -1.548 -1.761 -1.993 -2.242 -2.507 -2.788 -3.086 -3.401 -3.738 -4.110 -4.763 -4.918 -5.079 -5.247 -5.422 -5.610 -5.814 -6.041 -6.298 -6.589 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.006 -0.989 -1.063 -1.190 -1.354 -1.544 -1.756 -1.986 -2.233 -2.496 -2.773 -3.066 -3.375 -3.701 -4.055 -4.713 -4.864 -5.020 -5.181 -5.348 -5.523 -5.708 -5.907 -6.123 -6.360 -6.620 -6.901 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.001 -0.987 -1.061 -1.188 -1.351 -1.541 -1.751 -1.980 -2.224 -2.484 -2.759 -3.048 -3.350 -3.668 -4.007 -4.667 -4.814 -4.965 -5.120 -5.281 -5.447 -5.621 -5.803 -5.997 -6.203 -6.424 -6.660 -6.909 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.998 -0.985 -1.059 -1.186 -1.349 -1.537 -1.747 -1.973 -2.216 -2.474 -2.745 -3.030 -3.327 -3.638 -3.965 -4.623 -4.767 -4.914 -5.064 -5.219 -5.379 -5.544 -5.716 -5.895 -6.083 -6.281 -6.488 -6.705 -6.931 -7.162 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.994 -0.983 -1.058 -1.184 -1.346 -1.534 -1.742 -1.968 -2.208 -2.464 -2.732 -3.013 -3.306 -3.610 -3.928 -4.582 -4.722 -4.865 -5.012 -5.162 -5.316 -5.475 -5.639 -5.808 -5.984 -6.166 -6.355 -6.551 -6.753 -6.959 -7.168 99999.999 99999.999 99999.999 99999.999 99999.999 -0.991 -0.981 -1.056 -1.183 -1.344 -1.531 -1.738 -1.962 -2.201 -2.454 -2.720 -2.998 -3.286 -3.585 -3.896 -4.543 -4.680 -4.820 -4.963 -5.109 -5.259 -5.412 -5.570 -5.732 -5.898 -6.070 -6.246 -6.428 -6.613 -6.802 -6.993 -7.184 -7.372 99999.999 99999.999 99999.999 -0.988 -0.980 -1.055 -1.181 -1.342 -1.528 -1.734 -1.956 -2.194 -2.445 -2.708 -2.983 -3.268 -3.563 -3.867 -4.506 -4.641 -4.778 -4.917 -5.060 -5.205 -5.354 -5.506 -5.662 -5.822 -5.985 -6.153 -6.323 -6.497 -6.674 -6.852 -7.029 -7.206 -7.379 99999.999 99999.999 -0.985 -0.979 -1.054 -1.180 -1.340 -1.525 -1.730 -1.951 -2.187 -2.436 -2.697 -2.969 -3.250 -3.541 -3.841 -4.471 -4.603 -4.737 -4.874 -5.013 -5.155 -5.300 -5.447 -5.598 -5.752 -5.909 -6.070 -6.233 -6.398 -6.565 -6.733 -6.901 -7.068 -7.233 -7.393 -7.548 -0.982 -0.978 -1.053 -1.179 -1.339 -1.523 -1.727 -1.946 -2.180 -2.427 -2.686 -2.955 -3.234 -3.521 -3.817 -4.438 -4.567 -4.699 -4.833 -4.969 -5.107 -5.249 -5.392 -5.539 -5.688 -5.840 -5.995 -6.151 -6.310 -6.470 -6.631 -6.791 -6.951 -7.109 -7.263 -7.413 -0.971 -0.978 -1.055 -1.178 -1.332 -1.508 -1.702 -1.910 -2.129 -2.358 -2.597 -2.844 -3.098 -3.358 -3.623 -4.170 -4.282 -4.395 -4.510 -4.625 -4.742 -4.859 -4.978 -5.099 -5.220 -5.342 -5.466 -5.590 -5.716 -5.842 -5.969 -6.096 -6.224 -6.352 -6.479 -6.606 -0.982 -0.996 -1.072 -1.191 -1.339 -1.508 -1.693 -1.890 -2.097 -2.313 -2.536 -2.766 -3.001 -3.240 -3.484 -3.981 -4.082 -4.184 -4.286 -4.389 -4.492 -4.597 -4.701 -4.807 -4.913 -5.021 -5.128 -5.237 -5.346 -5.456 -5.566 -5.677 -5.788 -5.900 -6.012 -6.125 -1.009 -1.027 -1.101 -1.214 -1.356 -1.519 -1.696 -1.884 -2.081 -2.285 -2.495 -2.711 -2.930 -3.154 -3.380 -3.839 -3.932 -4.026 -4.119 -4.213 -4.308 -4.403 -4.498 -4.593 -4.690 -4.786 -4.883 -4.981 -5.079 -5.178 -5.277 -5.376 -5.476 -5.577 -5.677 -5.779 -1.050 -1.069 -1.139 -1.247 -1.383 -1.539 -1.708 -1.888 -2.076 -2.270 -2.470 -2.673 -2.880 -3.090 -3.302 -3.731 -3.817 -3.904 -3.991 -4.078 -4.165 -4.253 -4.341 -4.429 -4.518 -4.607 -4.696 -4.786 -4.875 -4.966 -5.056 -5.147 -5.239 -5.330 -5.423 -5.515 -1.102 -1.120 -1.185 -1.288 -1.417 -1.566 -1.728 -1.901 -2.081 -2.266 -2.456 -2.649 -2.845 -3.043 -3.243 -3.646 -3.727 -3.809 -3.890 -3.972 -4.053 -4.135 -4.218 -4.300 -4.382 -4.465 -4.548 -4.631 -4.715 -4.799 -4.883 -4.967 -5.052 -5.137 -5.222 -5.308 -1.163 -1.178 -1.239 -1.335 -1.458 -1.600 -1.755 -1.920 -2.093 -2.270 -2.451 -2.635 -2.821 -3.009 -3.199 -3.580 -3.657 -3.734 -3.810 -3.887 -3.965 -4.042 -4.119 -4.196 -4.274 -4.352 -4.430 -4.508 -4.586 -4.665 -4.744 -4.823 -4.902 -4.982 -5.061 -5.142 -1.231 -1.242 -1.298 -1.388 -1.504 -1.639 -1.787 -1.946 -2.111 -2.281 -2.454 -2.630 -2.808 -2.987 -3.167 -3.529 -3.602 -3.675 -3.748 -3.821 -3.894 -3.967 -4.040 -4.113 -4.187 -4.260 -4.334 -4.408 -4.482 -4.556 -4.630 -4.705 -4.780 -4.855 -4.931 -5.006 99999.999 -1.311 -1.361 -1.445 -1.554 -1.682 -1.824 -1.976 -2.134 -2.298 -2.464 -2.632 -2.802 -2.973 -3.145 -3.490 -3.560 -3.629 -3.698 -3.768 -3.837 -3.907 -3.976 -4.046 -4.116 -4.186 -4.256 -4.326 -4.397 -4.467 -4.538 -4.609 -4.680 -4.751 -4.823 -4.895 CaCl+ CaCl(+) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 2 1.000 9 1.000 3 0.356 0.292 0.159 -0.014 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.356 0.292 0.159 -0.014 -0.215 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.356 0.293 0.159 -0.014 -0.215 -0.439 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.357 0.293 0.160 -0.014 -0.215 -0.438 -0.682 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.357 0.293 0.160 -0.013 -0.214 -0.438 -0.681 -0.945 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.358 0.294 0.161 -0.012 -0.213 -0.437 -0.680 -0.943 -1.227 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.360 0.295 0.162 -0.011 -0.212 -0.435 -0.678 -0.941 -1.224 -1.534 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.362 0.297 0.163 -0.010 -0.210 -0.433 -0.675 -0.937 -1.220 -1.528 -1.870 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.365 0.299 0.166 -0.007 -0.208 -0.430 -0.671 -0.932 -1.214 -1.519 -1.859 -2.248 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.369 0.302 0.168 -0.004 -0.204 -0.426 -0.666 -0.926 -1.206 -1.509 -1.844 -2.225 -2.677 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.374 0.306 0.172 -0.001 -0.200 -0.421 -0.660 -0.918 -1.195 -1.495 -1.825 -2.198 -2.634 -3.175 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.380 0.311 0.176 0.004 -0.195 -0.414 -0.652 -0.908 -1.182 -1.478 -1.802 -2.164 -2.582 -3.091 -3.807 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.385 0.314 0.179 0.007 -0.191 -0.409 -0.646 -0.900 -1.173 -1.465 -1.784 -2.139 -2.544 -3.031 -3.702 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.391 0.319 0.184 0.012 -0.185 -0.403 -0.638 -0.890 -1.159 -1.448 -1.761 -2.105 -2.494 -2.952 -3.564 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.397 0.324 0.189 0.017 -0.180 -0.396 -0.630 -0.880 -1.146 -1.431 -1.738 -2.073 -2.447 -2.879 -3.441 -4.088 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.403 0.328 0.193 0.022 -0.174 -0.390 -0.622 -0.870 -1.134 -1.415 -1.716 -2.043 -2.403 -2.813 -3.330 -3.917 -4.158 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.409 0.332 0.197 0.026 -0.169 -0.383 -0.614 -0.860 -1.121 -1.399 -1.696 -2.015 -2.363 -2.753 -3.231 -3.834 -4.026 -4.259 -4.613 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.415 0.337 0.201 0.030 -0.164 -0.377 -0.607 -0.851 -1.110 -1.384 -1.676 -1.988 -2.325 -2.698 -3.141 -3.759 -3.938 -4.132 -4.360 -4.658 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.420 0.341 0.205 0.035 -0.159 -0.372 -0.600 -0.842 -1.099 -1.370 -1.658 -1.963 -2.290 -2.647 -3.061 -3.692 -3.861 -4.040 -4.235 -4.457 -4.726 -5.068 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.425 0.344 0.208 0.039 -0.155 -0.366 -0.593 -0.833 -1.088 -1.356 -1.640 -1.939 -2.258 -2.601 -2.990 -3.630 -3.792 -3.961 -4.140 -4.334 -4.550 -4.800 -5.097 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.430 0.348 0.212 0.042 -0.150 -0.361 -0.586 -0.825 -1.077 -1.343 -1.623 -1.917 -2.228 -2.559 -2.926 -3.574 -3.729 -3.891 -4.060 -4.238 -4.430 -4.640 -4.876 -5.142 -5.445 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.434 0.352 0.215 0.046 -0.146 -0.355 -0.579 -0.817 -1.067 -1.330 -1.606 -1.896 -2.200 -2.521 -2.870 -3.521 -3.672 -3.827 -3.988 -4.157 -4.334 -4.523 -4.727 -4.950 -5.194 -5.462 -5.752 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.438 0.355 0.218 0.050 -0.142 -0.350 -0.573 -0.809 -1.057 -1.318 -1.591 -1.876 -2.174 -2.487 -2.821 -3.472 -3.618 -3.768 -3.923 -4.084 -4.252 -4.427 -4.613 -4.811 -5.022 -5.249 -5.492 -5.748 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.442 0.358 0.222 0.053 -0.138 -0.345 -0.567 -0.801 -1.048 -1.306 -1.576 -1.857 -2.150 -2.455 -2.777 -3.426 -3.568 -3.714 -3.864 -4.018 -4.178 -4.345 -4.518 -4.700 -4.891 -5.092 -5.304 -5.527 -5.758 -5.995 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.446 0.361 0.225 0.056 -0.134 -0.340 -0.561 -0.794 -1.038 -1.294 -1.561 -1.839 -2.128 -2.427 -2.739 -3.383 -3.521 -3.663 -3.808 -3.958 -4.112 -4.270 -4.435 -4.605 -4.783 -4.968 -5.160 -5.359 -5.565 -5.776 -5.990 99999.999 99999.999 99999.999 99999.999 99999.999 0.450 0.364 0.227 0.060 -0.130 -0.336 -0.555 -0.787 -1.029 -1.283 -1.548 -1.822 -2.107 -2.400 -2.705 -3.342 -3.477 -3.615 -3.757 -3.902 -4.050 -4.203 -4.360 -4.523 -4.690 -4.863 -5.042 -5.225 -5.414 -5.606 -5.800 -5.995 -6.188 99999.999 99999.999 99999.999 0.454 0.367 0.230 0.063 -0.126 -0.331 -0.550 -0.780 -1.021 -1.272 -1.534 -1.806 -2.087 -2.376 -2.675 -3.303 -3.435 -3.570 -3.708 -3.849 -3.993 -4.141 -4.293 -4.448 -4.608 -4.772 -4.940 -5.113 -5.288 -5.467 -5.647 -5.828 -6.007 -6.184 99999.999 99999.999 0.457 0.369 0.233 0.066 -0.123 -0.327 -0.544 -0.773 -1.012 -1.262 -1.521 -1.790 -2.068 -2.353 -2.648 -3.266 -3.396 -3.528 -3.662 -3.800 -3.940 -4.083 -4.230 -4.380 -4.534 -4.691 -4.851 -5.015 -5.181 -5.349 -5.519 -5.689 -5.858 -6.025 -6.188 -6.346 0.460 0.372 0.235 0.069 -0.119 -0.323 -0.539 -0.766 -1.004 -1.252 -1.509 -1.775 -2.050 -2.332 -2.622 -3.231 -3.358 -3.487 -3.619 -3.753 -3.890 -4.029 -4.172 -4.317 -4.465 -4.617 -4.771 -4.927 -5.086 -5.247 -5.409 -5.570 -5.731 -5.891 -6.047 -6.198 0.482 0.390 0.255 0.092 -0.090 -0.286 -0.493 -0.709 -0.933 -1.164 -1.402 -1.646 -1.896 -2.151 -2.411 -2.945 -3.054 -3.164 -3.276 -3.388 -3.502 -3.617 -3.733 -3.851 -3.969 -4.089 -4.210 -4.332 -4.455 -4.579 -4.704 -4.829 -4.954 -5.079 -5.204 -5.329 0.490 0.399 0.266 0.107 -0.070 -0.259 -0.459 -0.665 -0.878 -1.096 -1.319 -1.547 -1.778 -2.013 -2.252 -2.736 -2.834 -2.933 -3.033 -3.133 -3.233 -3.335 -3.436 -3.539 -3.642 -3.746 -3.851 -3.956 -4.062 -4.169 -4.276 -4.384 -4.493 -4.601 -4.711 -4.820 0.486 0.398 0.270 0.115 -0.056 -0.240 -0.432 -0.631 -0.834 -1.042 -1.253 -1.468 -1.685 -1.905 -2.126 -2.574 -2.664 -2.755 -2.846 -2.937 -3.028 -3.120 -3.213 -3.305 -3.398 -3.492 -3.586 -3.680 -3.775 -3.871 -3.967 -4.063 -4.160 -4.257 -4.354 -4.452 0.474 0.392 0.268 0.118 -0.048 -0.226 -0.412 -0.604 -0.800 -0.999 -1.200 -1.404 -1.609 -1.816 -2.024 -2.443 -2.527 -2.611 -2.696 -2.780 -2.865 -2.950 -3.035 -3.120 -3.206 -3.292 -3.378 -3.465 -3.551 -3.639 -3.726 -3.814 -3.902 -3.991 -4.080 -4.169 0.454 0.379 0.261 0.117 -0.045 -0.218 -0.398 -0.584 -0.773 -0.964 -1.157 -1.352 -1.547 -1.743 -1.940 -2.335 -2.414 -2.493 -2.572 -2.651 -2.731 -2.810 -2.890 -2.969 -3.049 -3.129 -3.209 -3.289 -3.370 -3.451 -3.532 -3.613 -3.695 -3.777 -3.859 -3.942 0.428 0.362 0.250 0.111 -0.045 -0.213 -0.388 -0.568 -0.751 -0.936 -1.122 -1.308 -1.495 -1.682 -1.870 -2.244 -2.319 -2.394 -2.469 -2.543 -2.618 -2.693 -2.768 -2.843 -2.918 -2.993 -3.069 -3.144 -3.220 -3.295 -3.371 -3.448 -3.524 -3.601 -3.678 -3.755 0.398 0.342 0.236 0.102 -0.049 -0.212 -0.382 -0.557 -0.734 -0.913 -1.093 -1.272 -1.452 -1.631 -1.810 -2.167 -2.238 -2.310 -2.381 -2.452 -2.523 -2.594 -2.665 -2.736 -2.807 -2.879 -2.950 -3.021 -3.093 -3.165 -3.236 -3.308 -3.381 -3.453 -3.526 -3.599 99999.999 0.318 0.218 0.090 -0.056 -0.214 -0.379 -0.549 -0.721 -0.895 -1.069 -1.242 -1.416 -1.588 -1.760 -2.102 -2.170 -2.238 -2.306 -2.374 -2.441 -2.509 -2.577 -2.645 -2.713 -2.781 -2.849 -2.917 -2.985 -3.053 -3.121 -3.190 -3.259 -3.328 -3.397 -3.466 CaCl2,aq CaCl2(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 2 1.000 9 2.000 3 0.456 0.644 0.660 0.569 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.456 0.644 0.660 0.569 0.400 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.457 0.644 0.660 0.569 0.400 0.169 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.458 0.645 0.661 0.570 0.401 0.170 -0.117 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.459 0.646 0.662 0.571 0.403 0.171 -0.116 -0.455 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.461 0.648 0.664 0.573 0.405 0.174 -0.113 -0.451 -0.844 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.465 0.651 0.666 0.576 0.408 0.177 -0.108 -0.446 -0.837 -1.288 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.469 0.655 0.670 0.580 0.412 0.182 -0.102 -0.439 -0.827 -1.276 -1.802 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.476 0.660 0.675 0.585 0.418 0.189 -0.094 -0.428 -0.815 -1.259 -1.778 -2.403 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.484 0.667 0.682 0.593 0.426 0.199 -0.083 -0.415 -0.798 -1.237 -1.748 -2.358 -3.116 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.495 0.676 0.691 0.602 0.437 0.211 -0.069 -0.397 -0.776 -1.209 -1.710 -2.303 -3.030 -3.982 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.509 0.688 0.703 0.614 0.450 0.226 -0.051 -0.376 -0.749 -1.174 -1.663 -2.236 -2.927 -3.811 -5.150 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.519 0.697 0.711 0.623 0.460 0.237 -0.037 -0.359 -0.728 -1.148 -1.628 -2.186 -2.852 -3.690 -4.914 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.533 0.709 0.723 0.636 0.474 0.253 -0.018 -0.336 -0.700 -1.112 -1.580 -2.118 -2.752 -3.531 -4.627 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.547 0.721 0.735 0.648 0.487 0.269 0.000 -0.314 -0.672 -1.077 -1.534 -2.054 -2.659 -3.388 -4.379 -6.288 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.560 0.732 0.746 0.660 0.501 0.284 0.018 -0.292 -0.646 -1.043 -1.490 -1.994 -2.573 -3.258 -4.159 -5.451 -6.128 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.572 0.743 0.757 0.671 0.514 0.299 0.036 -0.271 -0.620 -1.011 -1.448 -1.938 -2.493 -3.139 -3.964 -5.161 -5.605 -6.190 -7.084 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.584 0.754 0.768 0.682 0.526 0.313 0.053 -0.251 -0.595 -0.980 -1.408 -1.885 -2.419 -3.031 -3.789 -4.953 -5.325 -5.758 -6.293 -7.008 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.596 0.764 0.778 0.693 0.538 0.327 0.069 -0.231 -0.571 -0.950 -1.370 -1.834 -2.350 -2.932 -3.633 -4.783 -5.117 -5.487 -5.908 -6.409 -7.028 -7.808 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.607 0.774 0.788 0.704 0.550 0.341 0.085 -0.212 -0.548 -0.921 -1.334 -1.787 -2.286 -2.842 -3.494 -4.636 -4.945 -5.278 -5.645 -6.055 -6.528 -7.085 -7.747 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.617 0.783 0.797 0.714 0.561 0.354 0.101 -0.193 -0.525 -0.894 -1.299 -1.742 -2.226 -2.759 -3.370 -4.506 -4.796 -5.104 -5.437 -5.798 -6.198 -6.647 -7.158 -7.741 -8.398 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.627 0.792 0.806 0.724 0.572 0.367 0.116 -0.175 -0.503 -0.867 -1.265 -1.699 -2.170 -2.684 -3.260 -4.388 -4.663 -4.953 -5.261 -5.591 -5.947 -6.336 -6.764 -7.238 -7.762 -8.338 -8.959 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.637 0.801 0.815 0.734 0.583 0.379 0.130 -0.158 -0.482 -0.841 -1.233 -1.659 -2.118 -2.615 -3.163 -4.280 -4.543 -4.818 -5.108 -5.415 -5.742 -6.091 -6.469 -6.877 -7.320 -7.799 -8.314 -8.858 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.646 0.810 0.824 0.743 0.594 0.391 0.145 -0.140 -0.461 -0.816 -1.202 -1.620 -2.070 -2.552 -3.076 -4.181 -4.433 -4.696 -4.971 -5.260 -5.565 -5.888 -6.230 -6.596 -6.986 -7.403 -7.845 -8.311 -8.797 -9.296 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.655 0.818 0.832 0.752 0.604 0.403 0.159 -0.124 -0.441 -0.791 -1.173 -1.584 -2.024 -2.495 -3.000 -4.088 -4.331 -4.584 -4.847 -5.122 -5.409 -5.711 -6.029 -6.364 -6.718 -7.091 -7.484 -7.895 -8.322 -8.762 -9.208 99999.999 99999.999 99999.999 99999.999 99999.999 0.663 0.826 0.841 0.761 0.614 0.415 0.172 -0.107 -0.422 -0.768 -1.144 -1.549 -1.981 -2.442 -2.932 -4.001 -4.236 -4.480 -4.732 -4.995 -5.269 -5.555 -5.853 -6.165 -6.492 -6.835 -7.192 -7.563 -7.948 -8.342 -8.744 -9.148 -9.549 99999.999 99999.999 99999.999 0.671 0.833 0.848 0.770 0.624 0.426 0.186 -0.092 -0.402 -0.745 -1.116 -1.515 -1.941 -2.392 -2.871 -3.918 -4.147 -4.383 -4.626 -4.879 -5.141 -5.413 -5.696 -5.991 -6.297 -6.616 -6.946 -7.288 -7.641 -8.001 -8.368 -8.738 -9.107 -9.472 99999.999 99999.999 0.678 0.840 0.856 0.778 0.633 0.437 0.199 -0.076 -0.384 -0.722 -1.089 -1.483 -1.902 -2.346 -2.815 -3.841 -4.063 -4.292 -4.528 -4.771 -5.023 -5.284 -5.554 -5.834 -6.124 -6.424 -6.734 -7.053 -7.381 -7.715 -8.056 -8.399 -8.742 -9.082 -9.417 -9.742 0.685 0.847 0.863 0.786 0.643 0.448 0.211 -0.061 -0.366 -0.701 -1.063 -1.452 -1.865 -2.302 -2.763 -3.767 -3.983 -4.206 -4.435 -4.671 -4.914 -5.165 -5.424 -5.692 -5.968 -6.252 -6.546 -6.847 -7.155 -7.469 -7.788 -8.110 -8.432 -8.753 -9.069 -9.378 0.735 0.902 0.924 0.856 0.723 0.541 0.322 0.070 -0.208 -0.512 -0.838 -1.185 -1.551 -1.934 -2.332 -3.179 -3.356 -3.537 -3.721 -3.907 -4.098 -4.291 -4.488 -4.689 -4.893 -5.101 -5.311 -5.525 -5.742 -5.962 -6.184 -6.409 -6.634 -6.862 -7.089 -7.317 0.754 0.934 0.966 0.907 0.784 0.615 0.409 0.175 -0.083 -0.363 -0.662 -0.977 -1.308 -1.652 -2.009 -2.756 -2.911 -3.067 -3.226 -3.386 -3.549 -3.714 -3.880 -4.049 -4.220 -4.393 -4.568 -4.745 -4.923 -5.104 -5.287 -5.472 -5.658 -5.845 -6.034 -6.224 0.749 0.948 0.992 0.943 0.831 0.672 0.480 0.260 0.018 -0.242 -0.519 -0.810 -1.114 -1.428 -1.753 -2.428 -2.566 -2.707 -2.848 -2.991 -3.135 -3.281 -3.428 -3.576 -3.726 -3.877 -4.030 -4.184 -4.340 -4.497 -4.656 -4.815 -4.977 -5.139 -5.303 -5.468 0.724 0.947 1.005 0.967 0.865 0.718 0.536 0.329 0.101 -0.143 -0.401 -0.672 -0.954 -1.245 -1.543 -2.162 -2.289 -2.417 -2.545 -2.675 -2.806 -2.938 -3.071 -3.204 -3.339 -3.475 -3.612 -3.750 -3.890 -4.030 -4.172 -4.314 -4.458 -4.603 -4.749 -4.896 0.684 0.934 1.007 0.981 0.889 0.752 0.581 0.386 0.170 -0.060 -0.304 -0.557 -0.820 -1.091 -1.369 -1.942 -2.059 -2.177 -2.296 -2.415 -2.535 -2.656 -2.778 -2.901 -3.024 -3.149 -3.274 -3.400 -3.527 -3.655 -3.784 -3.913 -4.044 -4.176 -4.308 -4.442 0.631 0.911 1.000 0.986 0.905 0.778 0.617 0.432 0.228 0.009 -0.221 -0.460 -0.708 -0.962 -1.222 -1.757 -1.866 -1.975 -2.086 -2.197 -2.308 -2.421 -2.534 -2.647 -2.762 -2.877 -2.993 -3.109 -3.226 -3.344 -3.463 -3.583 -3.704 -3.825 -3.947 -4.070 0.567 0.880 0.986 0.984 0.914 0.797 0.645 0.469 0.275 0.067 -0.151 -0.378 -0.612 -0.851 -1.096 -1.598 -1.700 -1.803 -1.907 -2.011 -2.115 -2.220 -2.326 -2.432 -2.539 -2.647 -2.755 -2.863 -2.973 -3.083 -3.194 -3.305 -3.418 -3.531 -3.645 -3.760 99999.999 0.843 0.965 0.976 0.916 0.809 0.667 0.500 0.315 0.117 -0.091 -0.307 -0.529 -0.756 -0.988 -1.462 -1.558 -1.655 -1.752 -1.850 -1.949 -2.048 -2.147 -2.247 -2.348 -2.449 -2.551 -2.653 -2.756 -2.859 -2.964 -3.069 -3.174 -3.281 -3.388 -3.496 CaF+ CaF(+) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 2 1.000 9 1.000 23 -0.655 -0.682 -0.800 -0.968 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.655 -0.682 -0.800 -0.968 -1.171 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.654 -0.682 -0.800 -0.968 -1.171 -1.399 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.651 -0.679 -0.797 -0.966 -1.168 -1.396 -1.646 -1.919 -2.214 -2.537 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.648 -0.677 -0.796 -0.964 -1.166 -1.394 -1.644 -1.915 -2.209 -2.530 -2.888 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.645 -0.675 -0.794 -0.962 -1.163 -1.390 -1.640 -1.910 -2.203 -2.522 -2.876 -3.282 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-3.697 -4.127 -4.741 -4.901 -5.067 -5.242 -5.437 -5.672 -5.975 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.579 -0.627 -0.750 -0.915 -1.110 -1.325 -1.559 -1.808 -2.073 -2.352 -2.648 -2.961 -3.292 -3.649 -4.052 -4.685 -4.842 -5.004 -5.172 -5.349 -5.544 -5.767 -6.035 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.573 -0.623 -0.746 -0.911 -1.105 -1.320 -1.552 -1.799 -2.061 -2.338 -2.630 -2.937 -3.261 -3.605 -3.986 -4.633 -4.786 -4.943 -5.105 -5.274 -5.452 -5.645 -5.859 -6.103 -6.382 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.568 -0.619 -0.742 -0.907 -1.100 -1.314 -1.545 -1.791 -2.051 -2.325 -2.613 -2.915 -3.232 -3.565 -3.927 -4.583 -4.733 -4.886 -5.043 -5.205 -5.374 -5.551 -5.741 -5.947 -6.173 -6.422 -6.693 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.562 -0.615 -0.738 -0.903 -1.096 -1.309 -1.538 -1.782 -2.040 -2.312 -2.596 -2.894 -3.204 -3.529 -3.875 -4.536 -4.682 -4.832 -4.985 -5.142 -5.304 -5.472 -5.647 -5.833 -6.031 -6.242 -6.469 -6.709 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.557 -0.611 -0.735 -0.899 -1.091 -1.303 -1.531 -1.774 -2.030 -2.299 -2.581 -2.874 -3.179 -3.496 -3.830 -4.491 -4.634 -4.780 -4.929 -5.082 -5.238 -5.400 -5.566 -5.740 -5.921 -6.111 -6.310 -6.519 -6.736 -6.959 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.552 -0.607 -0.731 -0.895 -1.087 -1.298 -1.525 -1.766 -2.020 -2.287 -2.565 -2.855 -3.156 -3.466 -3.790 -4.448 -4.588 -4.731 -4.877 -5.025 -5.178 -5.333 -5.494 -5.658 -5.829 -6.005 -6.187 -6.376 -6.571 -6.769 -6.970 99999.999 99999.999 99999.999 99999.999 99999.999 -0.547 -0.604 -0.728 -0.892 -1.083 -1.293 -1.519 -1.758 -2.011 -2.275 -2.551 -2.837 -3.133 -3.439 -3.755 -4.408 -4.545 -4.685 -4.827 -4.972 -5.120 -5.272 -5.426 -5.585 -5.747 -5.914 -6.085 -6.261 -6.440 -6.622 -6.806 -6.990 -7.171 99999.999 99999.999 99999.999 -0.543 -0.600 -0.724 -0.888 -1.078 -1.288 -1.513 -1.751 -2.001 -2.263 -2.537 -2.820 -3.112 -3.413 -3.723 -4.369 -4.504 -4.641 -4.780 -4.922 -5.066 -5.214 -5.364 -5.517 -5.674 -5.834 -5.997 -6.163 -6.331 -6.502 -6.674 -6.845 -7.015 -7.181 99999.999 99999.999 -0.538 -0.597 -0.721 -0.885 -1.074 -1.283 -1.507 -1.743 -1.992 -2.252 -2.523 -2.803 -3.092 -3.390 -3.695 -4.331 -4.464 -4.598 -4.735 -4.874 -5.015 -5.159 -5.305 -5.454 -5.606 -5.760 -5.917 -6.076 -6.237 -6.399 -6.562 -6.725 -6.886 -7.044 -7.197 -7.345 -0.534 -0.593 -0.718 -0.881 -1.070 -1.278 -1.501 -1.736 -1.983 -2.241 -2.510 -2.787 -3.073 -3.367 -3.668 -4.296 -4.426 -4.558 -4.692 -4.828 -4.966 -5.107 -5.250 -5.395 -5.542 -5.692 -5.844 -5.997 -6.152 -6.308 -6.465 -6.621 -6.775 -6.927 -7.076 -7.219 -0.498 -0.565 -0.690 -0.851 -1.035 -1.235 -1.449 -1.672 -1.905 -2.146 -2.394 -2.649 -2.910 -3.176 -3.446 -4.001 -4.115 -4.229 -4.344 -4.460 -4.578 -4.696 -4.816 -4.936 -5.058 -5.180 -5.304 -5.429 -5.554 -5.680 -5.807 -5.933 -6.060 -6.187 -6.313 -6.438 -0.474 -0.545 -0.669 -0.827 -1.006 -1.200 -1.406 -1.620 -1.841 -2.069 -2.302 -2.540 -2.782 -3.028 -3.276 -3.781 -3.884 -3.987 -4.090 -4.194 -4.299 -4.404 -4.509 -4.616 -4.723 -4.830 -4.939 -5.048 -5.157 -5.267 -5.378 -5.489 -5.601 -5.713 -5.825 -5.938 -0.460 -0.531 -0.653 -0.807 -0.982 -1.171 -1.370 -1.577 -1.789 -2.006 -2.226 -2.451 -2.678 -2.908 -3.139 -3.607 -3.702 -3.796 -3.891 -3.986 -4.082 -4.177 -4.274 -4.370 -4.467 -4.564 -4.662 -4.760 -4.859 -4.958 -5.058 -5.158 -5.258 -5.359 -5.461 -5.562 -0.453 -0.522 -0.642 -0.792 -0.963 -1.147 -1.340 -1.540 -1.745 -1.953 -2.163 -2.376 -2.592 -2.808 -3.026 -3.465 -3.553 -3.641 -3.729 -3.817 -3.906 -3.995 -4.083 -4.173 -4.262 -4.352 -4.442 -4.532 -4.623 -4.713 -4.805 -4.896 -4.988 -5.081 -5.173 -5.266 -0.452 -0.518 -0.634 -0.781 -0.947 -1.126 -1.315 -1.509 -1.707 -1.907 -2.110 -2.313 -2.518 -2.724 -2.931 -3.345 -3.427 -3.510 -3.593 -3.676 -3.759 -3.842 -3.926 -4.009 -4.092 -4.176 -4.260 -4.344 -4.428 -4.513 -4.598 -4.683 -4.768 -4.854 -4.940 -5.026 -0.456 -0.517 -0.629 -0.772 -0.934 -1.109 -1.293 -1.482 -1.674 -1.868 -2.063 -2.259 -2.456 -2.652 -2.849 -3.242 -3.321 -3.399 -3.478 -3.556 -3.635 -3.713 -3.792 -3.871 -3.949 -4.028 -4.107 -4.186 -4.265 -4.345 -4.424 -4.504 -4.584 -4.664 -4.745 -4.826 -0.464 -0.518 -0.627 -0.766 -0.924 -1.095 -1.274 -1.458 -1.645 -1.834 -2.023 -2.212 -2.401 -2.590 -2.778 -3.154 -3.229 -3.304 -3.378 -3.453 -3.528 -3.602 -3.677 -3.752 -3.826 -3.901 -3.976 -4.051 -4.126 -4.201 -4.277 -4.352 -4.428 -4.504 -4.580 -4.656 99999.999 -0.522 -0.627 -0.762 -0.916 -1.083 -1.258 -1.438 -1.620 -1.804 -1.987 -2.171 -2.354 -2.536 -2.717 -3.077 -3.149 -3.220 -3.292 -3.363 -3.435 -3.506 -3.577 -3.649 -3.720 -3.791 -3.863 -3.934 -4.006 -4.077 -4.149 -4.221 -4.293 -4.366 -4.438 -4.511 CaOH+ CaOH+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 1.000 Ref: Shock07 3 -1.000 1 1.000 9 1.000 2 14.085 12.833 11.788 10.902 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.085 12.833 11.788 10.902 10.142 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.085 12.833 11.788 10.902 10.142 9.483 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.086 12.834 11.788 10.902 10.143 9.483 8.903 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.086 12.834 11.788 10.903 10.143 9.483 8.904 8.389 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.087 12.835 11.789 10.903 10.144 9.484 8.905 8.390 7.928 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.088 12.836 11.790 10.904 10.145 9.485 8.906 8.391 7.930 7.510 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.090 12.837 11.792 10.906 10.146 9.486 8.907 8.393 7.931 7.513 7.126 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.092 12.839 11.793 10.908 10.148 9.488 8.909 8.395 7.934 7.515 7.130 6.769 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.095 12.842 11.796 10.910 10.150 9.491 8.912 8.398 7.937 7.519 7.135 6.775 6.434 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.098 12.846 11.799 10.913 10.154 9.494 8.915 8.402 7.941 7.524 7.141 6.783 6.444 6.127 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.103 12.850 11.804 10.917 10.158 9.498 8.919 8.406 7.947 7.530 7.149 6.793 6.458 6.139 5.867 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.107 12.853 11.807 10.921 10.161 9.501 8.923 8.410 7.951 7.535 7.154 6.801 6.468 6.150 5.845 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.112 12.858 11.811 10.925 10.165 9.506 8.927 8.415 7.956 7.541 7.162 6.811 6.482 6.168 5.852 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.117 12.863 11.816 10.929 10.169 9.510 8.932 8.419 7.961 7.547 7.170 6.821 6.496 6.187 5.874 6.797 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.122 12.867 11.820 10.933 10.173 9.514 8.936 8.424 7.966 7.553 7.177 6.830 6.508 6.205 5.899 6.035 6.320 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.127 12.872 11.824 10.937 10.177 9.518 8.940 8.429 7.971 7.559 7.184 6.839 6.521 6.222 5.925 5.848 5.923 6.089 6.339 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.131 12.876 11.828 10.941 10.181 9.522 8.944 8.433 7.976 7.565 7.190 6.848 6.532 6.238 5.950 5.766 5.774 5.824 5.929 6.081 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.136 12.880 11.832 10.945 10.184 9.525 8.948 8.437 7.981 7.570 7.197 6.856 6.542 6.252 5.973 5.721 5.698 5.700 5.732 5.800 5.898 6.007 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.140 12.884 11.836 10.948 10.188 9.529 8.952 8.441 7.985 7.575 7.203 6.863 6.552 6.266 5.994 5.694 5.654 5.631 5.627 5.646 5.690 5.754 5.827 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.145 12.888 11.839 10.952 10.191 9.532 8.955 8.445 7.990 7.580 7.208 6.870 6.561 6.278 6.013 5.677 5.627 5.588 5.564 5.555 5.564 5.591 5.632 5.682 5.732 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.149 12.892 11.843 10.955 10.195 9.536 8.959 8.449 7.994 7.585 7.214 6.877 6.569 6.288 6.029 5.666 5.609 5.561 5.523 5.498 5.485 5.486 5.501 5.526 5.559 5.595 5.628 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.153 12.896 11.846 10.959 10.198 9.539 8.962 8.453 7.998 7.589 7.219 6.883 6.577 6.298 6.042 5.660 5.598 5.543 5.497 5.459 5.432 5.416 5.411 5.417 5.431 5.452 5.477 5.502 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.157 12.899 11.850 10.962 10.201 9.542 8.966 8.456 8.002 7.593 7.224 6.889 6.584 6.306 6.053 5.656 5.591 5.531 5.479 5.433 5.397 5.368 5.349 5.340 5.338 5.345 5.357 5.373 5.391 5.410 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.161 12.903 11.853 10.965 10.204 9.546 8.969 8.460 8.006 7.598 7.229 6.894 6.590 6.313 6.063 5.654 5.586 5.523 5.466 5.415 5.371 5.335 5.306 5.284 5.271 5.264 5.264 5.270 5.280 5.292 5.308 99999.999 99999.999 99999.999 99999.999 99999.999 14.165 12.906 11.857 10.968 10.208 9.549 8.972 8.463 8.009 7.602 7.234 6.899 6.596 6.320 6.070 5.654 5.584 5.518 5.458 5.403 5.354 5.311 5.274 5.244 5.221 5.204 5.194 5.190 5.190 5.195 5.203 5.215 5.229 99999.999 99999.999 99999.999 14.169 12.910 11.860 10.971 10.210 9.552 8.975 8.466 8.013 7.606 7.238 6.904 6.601 6.326 6.076 5.655 5.583 5.516 5.453 5.394 5.341 5.293 5.251 5.214 5.184 5.159 5.140 5.127 5.119 5.116 5.117 5.121 5.130 5.141 99999.999 99999.999 14.172 12.913 11.863 10.974 10.213 9.555 8.978 8.470 8.016 7.610 7.242 6.909 6.606 6.331 6.082 5.657 5.583 5.514 5.449 5.389 5.332 5.281 5.234 5.192 5.156 5.125 5.099 5.079 5.063 5.052 5.046 5.044 5.045 5.051 5.060 5.072 14.176 12.916 11.866 10.977 10.216 9.557 8.981 8.473 8.020 7.613 7.247 6.914 6.611 6.336 6.086 5.659 5.585 5.514 5.448 5.385 5.326 5.272 5.222 5.176 5.135 5.099 5.068 5.041 5.019 5.002 4.989 4.980 4.975 4.974 4.977 4.984 14.208 12.945 11.893 11.003 10.241 9.582 9.006 8.499 8.049 7.646 7.282 6.953 6.654 6.381 6.132 5.696 5.618 5.542 5.470 5.399 5.332 5.267 5.204 5.143 5.085 5.030 4.976 4.925 4.876 4.829 4.784 4.742 4.702 4.664 4.628 4.594 14.233 12.968 11.914 11.023 10.260 9.601 9.026 8.520 8.071 7.670 7.310 6.983 6.687 6.417 6.170 5.736 5.658 5.582 5.508 5.437 5.368 5.302 5.237 5.174 5.113 5.054 4.997 4.941 4.887 4.835 4.784 4.734 4.686 4.639 4.594 4.550 14.255 12.987 11.931 11.039 10.276 9.616 9.041 8.536 8.088 7.689 7.331 7.007 6.713 6.446 6.201 5.771 5.694 5.618 5.545 5.475 5.406 5.339 5.275 5.212 5.151 5.092 5.034 4.977 4.923 4.869 4.817 4.766 4.717 4.668 4.620 4.574 14.272 13.003 11.945 11.052 10.288 9.628 9.053 8.549 8.102 7.704 7.347 7.026 6.734 6.469 6.227 5.801 5.724 5.650 5.578 5.508 5.440 5.374 5.310 5.247 5.187 5.128 5.071 5.015 4.960 4.907 4.855 4.805 4.755 4.707 4.659 4.613 14.287 13.016 11.957 11.062 10.298 9.638 9.063 8.559 8.113 7.716 7.360 7.041 6.751 6.488 6.248 5.827 5.750 5.677 5.605 5.536 5.469 5.403 5.340 5.279 5.219 5.161 5.104 5.049 4.995 4.942 4.891 4.841 4.792 4.744 4.698 4.652 14.300 13.027 11.966 11.071 10.306 9.646 9.071 8.566 8.121 7.725 7.371 7.052 6.765 6.504 6.265 5.848 5.772 5.699 5.629 5.560 5.493 5.429 5.366 5.306 5.247 5.189 5.133 5.079 5.026 4.974 4.923 4.874 4.826 4.779 4.733 4.687 14.311 13.036 11.974 11.078 10.312 9.652 9.077 8.573 8.128 7.732 7.379 7.062 6.776 6.516 6.280 5.865 5.791 5.718 5.648 5.580 5.515 5.451 5.389 5.329 5.270 5.214 5.158 5.105 5.052 5.001 4.951 4.903 4.855 4.809 4.763 4.719 99999.999 13.045 11.981 11.083 10.317 9.657 9.082 8.578 8.133 7.738 7.386 7.069 6.784 6.526 6.291 5.880 5.806 5.734 5.665 5.597 5.532 5.469 5.408 5.348 5.291 5.234 5.180 5.127 5.075 5.025 4.975 4.927 4.881 4.835 4.790 4.746 CaSO4,aq CaSO4(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 2 1.000 9 1.000 4 -2.071 -2.111 -2.214 -2.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.071 -2.111 -2.214 -2.350 -2.511 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.071 -2.111 -2.213 -2.349 -2.511 -2.697 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.070 -2.110 -2.213 -2.349 -2.510 -2.697 -2.910 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.069 -2.110 -2.212 -2.348 -2.510 -2.696 -2.909 -3.154 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.067 -2.108 -2.211 -2.347 -2.508 -2.694 -2.907 -3.151 -3.433 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.064 -2.107 -2.210 -2.346 -2.506 -2.692 -2.904 -3.147 -3.428 -3.758 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.060 -2.104 -2.208 -2.344 -2.504 -2.688 -2.899 -3.141 -3.420 -3.747 -4.144 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.055 -2.101 -2.205 -2.341 -2.500 -2.684 -2.893 -3.133 -3.409 -3.732 -4.122 -4.612 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.047 -2.097 -2.201 -2.337 -2.496 -2.678 -2.885 -3.122 -3.394 -3.712 -4.094 -4.569 -5.188 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.038 -2.091 -2.197 -2.332 -2.490 -2.670 -2.875 -3.108 -3.376 -3.687 -4.058 -4.516 -5.104 -5.909 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.026 -2.084 -2.191 -2.326 -2.482 -2.660 -2.862 -3.092 -3.353 -3.656 -4.015 -4.451 -5.003 -5.741 -6.909 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.018 -2.079 -2.187 -2.321 -2.477 -2.653 -2.853 -3.079 -3.336 -3.633 -3.982 -4.404 -4.929 -5.623 -6.693 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.006 -2.072 -2.181 -2.315 -2.469 -2.643 -2.840 -3.061 -3.313 -3.602 -3.938 -4.339 -4.831 -5.466 -6.416 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.994 -2.066 -2.176 -2.310 -2.462 -2.634 -2.827 -3.045 -3.291 -3.571 -3.896 -4.279 -4.741 -5.325 -6.171 -7.165 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.983 -2.060 -2.171 -2.304 -2.456 -2.625 -2.815 -3.029 -3.269 -3.543 -3.856 -4.222 -4.657 -5.196 -5.952 -6.678 -7.123 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.972 -2.054 -2.167 -2.300 -2.450 -2.617 -2.804 -3.013 -3.249 -3.515 -3.819 -4.169 -4.580 -5.078 -5.756 -6.479 -6.786 -7.195 -7.868 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.962 -2.048 -2.162 -2.295 -2.444 -2.609 -2.793 -2.999 -3.229 -3.489 -3.783 -4.119 -4.508 -4.971 -5.580 -6.315 -6.582 -6.890 -7.277 -7.818 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.952 -2.043 -2.158 -2.291 -2.438 -2.602 -2.783 -2.985 -3.211 -3.464 -3.750 -4.073 -4.442 -4.874 -5.424 -6.173 -6.415 -6.683 -6.989 -7.358 -7.831 -8.456 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.943 -2.039 -2.155 -2.287 -2.433 -2.594 -2.773 -2.971 -3.193 -3.440 -3.718 -4.029 -4.381 -4.785 -5.285 -6.045 -6.270 -6.514 -6.781 -7.083 -7.436 -7.864 -8.390 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.934 -2.034 -2.152 -2.283 -2.428 -2.588 -2.764 -2.959 -3.176 -3.418 -3.687 -3.988 -4.324 -4.705 -5.161 -5.930 -6.141 -6.366 -6.609 -6.875 -7.172 -7.510 -7.903 -8.363 -8.897 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.926 -2.030 -2.149 -2.280 -2.424 -2.581 -2.755 -2.946 -3.159 -3.396 -3.659 -3.950 -4.272 -4.633 -5.053 -5.824 -6.023 -6.234 -6.460 -6.702 -6.965 -7.255 -7.578 -7.943 -8.355 -8.816 -9.322 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.918 -2.027 -2.146 -2.277 -2.420 -2.575 -2.746 -2.935 -3.144 -3.375 -3.631 -3.913 -4.224 -4.567 -4.957 -5.726 -5.915 -6.115 -6.326 -6.550 -6.791 -7.050 -7.332 -7.641 -7.981 -8.355 -8.762 -9.199 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.910 -2.023 -2.144 -2.274 -2.416 -2.570 -2.738 -2.924 -3.128 -3.355 -3.605 -3.879 -4.179 -4.508 -4.873 -5.635 -5.816 -6.005 -6.204 -6.415 -6.638 -6.876 -7.130 -7.404 -7.699 -8.018 -8.360 -8.724 -9.108 -9.504 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.903 -2.020 -2.142 -2.272 -2.412 -2.564 -2.731 -2.913 -3.114 -3.336 -3.580 -3.847 -4.138 -4.454 -4.800 -5.550 -5.722 -5.903 -6.092 -6.291 -6.501 -6.722 -6.956 -7.205 -7.470 -7.752 -8.050 -8.366 -8.696 -9.037 -9.385 99999.999 99999.999 99999.999 99999.999 99999.999 -1.896 -2.017 -2.140 -2.270 -2.409 -2.559 -2.723 -2.903 -3.100 -3.317 -3.556 -3.817 -4.099 -4.404 -4.736 -5.469 -5.635 -5.808 -5.988 -6.177 -6.375 -6.583 -6.802 -7.033 -7.275 -7.531 -7.799 -8.080 -8.372 -8.673 -8.980 -9.289 -9.595 99999.999 99999.999 99999.999 -1.889 -2.015 -2.138 -2.268 -2.406 -2.555 -2.716 -2.893 -3.087 -3.300 -3.533 -3.788 -4.063 -4.359 -4.679 -5.394 -5.553 -5.719 -5.892 -6.072 -6.260 -6.457 -6.663 -6.878 -7.104 -7.340 -7.586 -7.841 -8.106 -8.377 -8.654 -8.932 -9.210 -9.482 99999.999 99999.999 -1.883 -2.013 -2.137 -2.266 -2.403 -2.550 -2.710 -2.883 -3.074 -3.283 -3.511 -3.760 -4.029 -4.317 -4.627 -5.322 -5.475 -5.635 -5.801 -5.973 -6.153 -6.340 -6.535 -6.739 -6.951 -7.171 -7.400 -7.636 -7.879 -8.129 -8.382 -8.637 -8.892 -9.143 -9.388 -9.624 -1.877 -2.011 -2.136 -2.265 -2.401 -2.546 -2.703 -2.874 -3.062 -3.266 -3.490 -3.734 -3.996 -4.278 -4.579 -5.253 -5.402 -5.556 -5.715 -5.881 -6.053 -6.232 -6.417 -6.610 -6.811 -7.018 -7.233 -7.454 -7.681 -7.913 -8.149 -8.386 -8.623 -8.857 -9.086 -9.308 -1.837 -2.005 -2.138 -2.263 -2.389 -2.520 -2.658 -2.805 -2.963 -3.133 -3.317 -3.515 -3.727 -3.952 -4.191 -4.710 -4.821 -4.935 -5.053 -5.173 -5.296 -5.423 -5.553 -5.686 -5.822 -5.962 -6.105 -6.251 -6.400 -6.551 -6.705 -6.860 -7.017 -7.175 -7.333 -7.492 -1.823 -2.021 -2.159 -2.280 -2.397 -2.515 -2.636 -2.764 -2.898 -3.042 -3.195 -3.359 -3.533 -3.717 -3.910 -4.327 -4.416 -4.506 -4.598 -4.692 -4.788 -4.886 -4.986 -5.089 -5.193 -5.300 -5.409 -5.520 -5.633 -5.748 -5.865 -5.984 -6.105 -6.227 -6.351 -6.476 -1.831 -2.054 -2.196 -2.312 -2.420 -2.526 -2.633 -2.744 -2.859 -2.980 -3.109 -3.244 -3.388 -3.540 -3.699 -4.040 -4.111 -4.185 -4.259 -4.335 -4.412 -4.491 -4.571 -4.653 -4.736 -4.822 -4.908 -4.997 -5.087 -5.178 -5.272 -5.367 -5.463 -5.561 -5.661 -5.762 -1.856 -2.102 -2.246 -2.357 -2.456 -2.551 -2.645 -2.741 -2.840 -2.942 -3.049 -3.162 -3.280 -3.405 -3.536 -3.816 -3.875 -3.935 -3.996 -4.058 -4.121 -4.185 -4.251 -4.318 -4.385 -4.455 -4.525 -4.597 -4.670 -4.745 -4.821 -4.898 -4.977 -5.058 -5.139 -5.223 -1.895 -2.161 -2.306 -2.412 -2.503 -2.587 -2.669 -2.752 -2.835 -2.921 -3.010 -3.103 -3.201 -3.303 -3.410 -3.640 -3.688 -3.737 -3.787 -3.838 -3.890 -3.943 -3.996 -4.051 -4.107 -4.164 -4.222 -4.281 -4.341 -4.403 -4.466 -4.530 -4.595 -4.662 -4.729 -4.799 -1.945 -2.229 -2.376 -2.477 -2.558 -2.633 -2.703 -2.773 -2.843 -2.915 -2.988 -3.064 -3.143 -3.226 -3.313 -3.499 -3.538 -3.579 -3.619 -3.661 -3.703 -3.747 -3.791 -3.836 -3.882 -3.929 -3.977 -4.026 -4.076 -4.127 -4.179 -4.232 -4.287 -4.342 -4.399 -4.457 -2.003 -2.304 -2.453 -2.548 -2.622 -2.686 -2.746 -2.804 -2.862 -2.920 -2.979 -3.040 -3.103 -3.168 -3.237 -3.387 -3.418 -3.451 -3.484 -3.518 -3.552 -3.587 -3.623 -3.660 -3.698 -3.736 -3.776 -3.816 -3.858 -3.900 -3.944 -3.988 -4.034 -4.081 -4.129 -4.178 99999.999 -2.386 -2.536 -2.627 -2.692 -2.746 -2.795 -2.843 -2.889 -2.935 -2.981 -3.028 -3.077 -3.128 -3.181 -3.297 -3.322 -3.348 -3.374 -3.401 -3.429 -3.457 -3.486 -3.516 -3.546 -3.578 -3.610 -3.644 -3.678 -3.713 -3.749 -3.786 -3.825 -3.864 -3.905 -3.947 HCl,aq HCl P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 2 1.000 1 1.000 3 0.513 0.710 0.792 0.798 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.513 0.710 0.792 0.798 0.748 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.512 0.710 0.792 0.798 0.748 0.652 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.512 0.709 0.791 0.797 0.747 0.652 0.518 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.510 0.708 0.790 0.796 0.746 0.651 0.517 0.348 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.508 0.705 0.788 0.794 0.745 0.650 0.516 0.347 0.142 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.504 0.702 0.785 0.792 0.742 0.648 0.515 0.347 0.143 -0.101 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.499 0.697 0.781 0.788 0.739 0.646 0.514 0.346 0.144 -0.098 -0.390 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.492 0.691 0.775 0.783 0.735 0.642 0.511 0.345 0.145 -0.095 -0.382 -0.738 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.483 0.682 0.767 0.776 0.729 0.638 0.508 0.344 0.146 -0.090 -0.372 -0.719 -1.169 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.471 0.671 0.756 0.767 0.721 0.632 0.504 0.342 0.147 -0.085 -0.361 -0.696 -1.124 -1.737 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.456 0.656 0.743 0.755 0.712 0.624 0.499 0.340 0.148 -0.079 -0.347 -0.669 -1.073 -1.624 -2.609 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.444 0.645 0.733 0.746 0.704 0.618 0.495 0.338 0.149 -0.074 -0.337 -0.650 -1.038 -1.552 -2.376 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.427 0.629 0.718 0.733 0.693 0.609 0.488 0.335 0.150 -0.068 -0.323 -0.625 -0.992 -1.464 -2.158 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.410 0.613 0.704 0.721 0.682 0.601 0.482 0.331 0.150 -0.063 -0.311 -0.602 -0.951 -1.389 -1.999 -5.798 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.394 0.597 0.689 0.708 0.672 0.592 0.476 0.328 0.150 -0.059 -0.300 -0.582 -0.915 -1.324 -1.873 -3.779 -4.945 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.377 0.581 0.675 0.695 0.661 0.583 0.470 0.324 0.150 -0.055 -0.290 -0.563 -0.882 -1.268 -1.767 -3.213 -3.820 -4.696 -5.959 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.361 0.565 0.661 0.683 0.650 0.574 0.463 0.321 0.149 -0.051 -0.281 -0.546 -0.853 -1.218 -1.678 -2.901 -3.329 -3.878 -4.601 -5.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.344 0.550 0.647 0.670 0.639 0.566 0.457 0.317 0.148 -0.048 -0.273 -0.530 -0.826 -1.174 -1.601 -2.689 -3.030 -3.440 -3.944 -4.569 -5.337 -6.245 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.328 0.534 0.633 0.658 0.629 0.557 0.450 0.313 0.147 -0.046 -0.266 -0.516 -0.802 -1.134 -1.534 -2.529 -2.819 -3.153 -3.546 -4.013 -4.568 -5.222 -5.971 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.312 0.519 0.619 0.646 0.618 0.548 0.443 0.308 0.146 -0.043 -0.259 -0.503 -0.780 -1.098 -1.475 -2.402 -2.656 -2.943 -3.271 -3.647 -4.082 -4.585 -5.158 -5.798 -6.492 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.296 0.504 0.605 0.633 0.608 0.540 0.437 0.304 0.144 -0.042 -0.253 -0.491 -0.761 -1.066 -1.423 -2.296 -2.525 -2.779 -3.063 -3.383 -3.743 -4.151 -4.611 -5.123 -5.684 -6.284 -6.910 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.280 0.489 0.591 0.621 0.597 0.531 0.430 0.300 0.142 -0.040 -0.247 -0.481 -0.742 -1.038 -1.377 -2.205 -2.416 -2.646 -2.899 -3.178 -3.489 -3.834 -4.218 -4.643 -5.107 -5.606 -6.135 -6.684 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.264 0.474 0.578 0.609 0.587 0.522 0.423 0.295 0.140 -0.039 -0.242 -0.471 -0.726 -1.012 -1.337 -2.127 -2.322 -2.533 -2.763 -3.014 -3.288 -3.590 -3.921 -4.283 -4.678 -5.102 -5.554 -6.027 -6.514 -7.009 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.248 0.459 0.564 0.597 0.576 0.514 0.417 0.290 0.138 -0.038 -0.238 -0.462 -0.711 -0.988 -1.301 -2.058 -2.240 -2.437 -2.648 -2.877 -3.125 -3.394 -3.686 -4.003 -4.346 -4.714 -5.106 -5.517 -5.945 -6.384 -6.827 99999.999 99999.999 99999.999 99999.999 99999.999 0.232 0.444 0.550 0.585 0.566 0.505 0.410 0.286 0.136 -0.037 -0.234 -0.453 -0.697 -0.967 -1.269 -1.996 -2.168 -2.352 -2.549 -2.760 -2.987 -3.231 -3.494 -3.777 -4.081 -4.406 -4.751 -5.114 -5.493 -5.883 -6.281 -6.682 -7.082 99999.999 99999.999 99999.999 0.217 0.429 0.537 0.573 0.555 0.496 0.403 0.281 0.134 -0.037 -0.230 -0.446 -0.684 -0.948 -1.241 -1.940 -2.104 -2.277 -2.462 -2.659 -2.869 -3.093 -3.333 -3.590 -3.864 -4.155 -4.464 -4.788 -5.126 -5.477 -5.835 -6.200 -6.565 -6.929 99999.999 99999.999 0.201 0.414 0.524 0.561 0.545 0.487 0.396 0.276 0.131 -0.037 -0.227 -0.439 -0.672 -0.930 -1.215 -1.889 -2.045 -2.210 -2.385 -2.570 -2.766 -2.974 -3.196 -3.431 -3.681 -3.946 -4.225 -4.518 -4.824 -5.141 -5.467 -5.798 -6.134 -6.469 -6.803 -7.132 0.186 0.400 0.510 0.549 0.535 0.479 0.389 0.271 0.128 -0.037 -0.224 -0.432 -0.661 -0.913 -1.191 -1.843 -1.992 -2.150 -2.315 -2.490 -2.675 -2.870 -3.076 -3.295 -3.525 -3.768 -4.024 -4.292 -4.571 -4.860 -5.157 -5.461 -5.769 -6.080 -6.390 -6.698 0.034 0.257 0.380 0.433 0.433 0.392 0.319 0.218 0.095 -0.048 -0.210 -0.388 -0.583 -0.793 -1.019 -1.525 -1.635 -1.748 -1.865 -1.986 -2.110 -2.238 -2.371 -2.507 -2.647 -2.791 -2.939 -3.092 -3.248 -3.408 -3.572 -3.739 -3.910 -4.083 -4.259 -4.436 -0.113 0.119 0.255 0.321 0.334 0.306 0.247 0.161 0.054 -0.072 -0.214 -0.370 -0.540 -0.723 -0.918 -1.343 -1.434 -1.526 -1.621 -1.718 -1.817 -1.918 -2.022 -2.127 -2.235 -2.344 -2.456 -2.570 -2.686 -2.804 -2.924 -3.045 -3.169 -3.294 -3.421 -3.549 -0.256 -0.014 0.133 0.211 0.236 0.221 0.174 0.102 0.008 -0.103 -0.229 -0.369 -0.520 -0.682 -0.854 -1.225 -1.304 -1.384 -1.465 -1.548 -1.632 -1.718 -1.805 -1.893 -1.983 -2.074 -2.167 -2.260 -2.356 -2.452 -2.550 -2.649 -2.749 -2.850 -2.953 -3.056 -0.395 -0.144 0.015 0.104 0.141 0.137 0.101 0.040 -0.042 -0.140 -0.253 -0.378 -0.514 -0.660 -0.814 -1.145 -1.215 -1.286 -1.358 -1.431 -1.505 -1.580 -1.656 -1.733 -1.811 -1.891 -1.971 -2.052 -2.135 -2.218 -2.302 -2.387 -2.473 -2.559 -2.647 -2.735 -0.532 -0.271 -0.102 -0.001 0.046 0.053 0.028 -0.023 -0.094 -0.181 -0.283 -0.396 -0.519 -0.651 -0.790 -1.090 -1.153 -1.217 -1.281 -1.347 -1.413 -1.481 -1.549 -1.618 -1.688 -1.759 -1.830 -1.903 -1.976 -2.050 -2.125 -2.200 -2.276 -2.353 -2.430 -2.509 -0.666 -0.396 -0.216 -0.105 -0.047 -0.030 -0.046 -0.087 -0.148 -0.226 -0.317 -0.419 -0.531 -0.651 -0.778 -1.052 -1.109 -1.168 -1.227 -1.286 -1.347 -1.408 -1.470 -1.533 -1.597 -1.661 -1.726 -1.792 -1.858 -1.925 -1.992 -2.061 -2.130 -2.199 -2.269 -2.340 -0.796 -0.518 -0.329 -0.208 -0.140 -0.113 -0.120 -0.151 -0.204 -0.272 -0.354 -0.447 -0.549 -0.659 -0.776 -1.027 -1.080 -1.133 -1.188 -1.242 -1.298 -1.355 -1.412 -1.469 -1.528 -1.587 -1.647 -1.707 -1.768 -1.829 -1.892 -1.954 -2.018 -2.082 -2.146 -2.211 99999.999 -0.638 -0.439 -0.309 -0.231 -0.196 -0.193 -0.217 -0.260 -0.320 -0.394 -0.478 -0.571 -0.672 -0.780 -1.012 -1.061 -1.110 -1.160 -1.211 -1.263 -1.315 -1.368 -1.422 -1.476 -1.531 -1.586 -1.642 -1.698 -1.756 -1.813 -1.872 -1.931 -1.990 -2.050 -2.111 HClO,aq HClO(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 1.250 1 0.250 4 1.000 3 -0.250 6 46.404 42.131 38.446 35.238 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.404 42.131 38.446 35.238 32.415 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.404 42.131 38.446 35.238 32.415 29.904 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.405 42.132 38.447 35.239 32.416 29.905 27.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.406 42.132 38.448 35.240 32.416 29.906 27.650 25.604 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.408 42.134 38.449 35.241 32.418 29.907 27.652 25.606 23.731 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.410 42.136 38.451 35.244 32.420 29.910 27.655 25.609 23.735 21.997 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.413 42.139 38.455 35.247 32.424 29.913 27.659 25.614 23.740 22.004 20.372 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.418 42.144 38.459 35.251 32.428 29.918 27.664 25.620 23.748 22.014 20.385 18.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.424 42.150 38.465 35.257 32.435 29.925 27.672 25.629 23.758 22.026 20.401 18.848 17.316 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.432 42.157 38.472 35.265 32.442 29.934 27.681 25.640 23.771 22.043 20.423 18.878 17.365 15.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.442 42.167 38.482 35.274 32.453 29.945 27.693 25.654 23.788 22.063 20.449 18.915 17.422 15.905 14.137 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.450 42.174 38.489 35.282 32.460 29.953 27.703 25.664 23.800 22.078 20.469 18.943 17.463 15.976 14.322 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.461 42.185 38.500 35.292 32.471 29.965 27.716 25.679 23.817 22.099 20.496 18.980 17.518 16.065 14.510 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.473 42.196 38.510 35.303 32.482 29.977 27.729 25.694 23.834 22.120 20.522 19.015 17.568 16.144 14.656 10.361 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.484 42.206 38.520 35.313 32.493 29.988 27.741 25.708 23.851 22.140 20.547 19.048 17.615 16.214 14.778 11.733 10.607 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.494 42.216 38.530 35.323 32.504 29.999 27.754 25.722 23.867 22.159 20.571 19.079 17.658 16.278 14.884 12.128 11.381 10.456 9.249 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.505 42.226 38.540 35.333 32.514 30.010 27.766 25.735 23.883 22.178 20.594 19.108 17.698 16.335 14.976 12.357 11.730 11.029 10.213 9.239 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.516 42.236 38.550 35.343 32.524 30.021 27.778 25.749 23.898 22.196 20.616 19.136 17.735 16.388 15.058 12.520 11.951 11.344 10.680 9.938 9.095 8.145 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.526 42.246 38.560 35.353 32.535 30.032 27.789 25.762 23.913 22.213 20.637 19.163 17.770 16.437 15.131 12.648 12.115 11.559 10.971 10.339 9.651 8.895 8.070 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.536 42.256 38.569 35.363 32.545 30.043 27.801 25.775 23.928 22.230 20.658 19.189 17.803 16.481 15.196 12.754 12.245 11.721 11.178 10.609 10.006 9.361 8.669 7.931 7.152 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.547 42.266 38.579 35.373 32.555 30.053 27.812 25.787 23.942 22.247 20.677 19.213 17.834 16.522 15.255 12.846 12.353 11.852 11.339 10.810 10.258 9.681 9.072 8.431 7.757 7.056 6.337 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.557 42.275 38.588 35.382 32.564 30.064 27.823 25.800 23.956 22.263 20.697 19.236 17.863 16.560 15.307 12.926 12.446 11.962 11.471 10.969 10.453 9.919 9.365 8.788 8.188 7.565 6.924 6.271 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.567 42.285 38.598 35.391 32.574 30.074 27.834 25.812 23.969 22.279 20.715 19.258 17.891 16.595 15.355 12.997 12.529 12.058 11.583 11.101 10.610 10.107 9.591 9.058 8.509 7.943 7.362 6.770 6.170 5.568 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.576 42.294 38.607 35.401 32.584 30.084 27.845 25.824 23.983 22.294 20.733 19.280 17.917 16.628 15.398 13.062 12.603 12.142 11.680 11.213 10.741 10.261 9.772 9.272 8.760 8.236 7.700 7.155 6.602 6.045 5.489 99999.999 99999.999 99999.999 99999.999 99999.999 46.586 42.304 38.616 35.410 32.593 30.094 27.856 25.835 23.996 22.309 20.751 19.301 17.942 16.659 15.437 13.122 12.669 12.218 11.766 11.312 10.854 10.392 9.924 9.448 8.964 8.471 7.970 7.461 6.945 6.426 5.906 5.388 4.876 99999.999 99999.999 99999.999 46.596 42.313 38.625 35.419 32.602 30.104 27.866 25.847 24.009 22.324 20.768 19.320 17.966 16.688 15.473 13.177 12.731 12.286 11.843 11.399 10.954 10.505 10.053 9.596 9.134 8.665 8.190 7.710 7.224 6.736 6.246 5.757 5.271 4.792 99999.999 99999.999 46.605 42.322 38.634 35.428 32.612 30.113 27.877 25.858 24.022 22.338 20.784 19.340 17.988 16.715 15.506 13.228 12.787 12.349 11.913 11.478 11.042 10.605 10.167 9.725 9.279 8.830 8.376 7.918 7.457 6.993 6.528 6.063 5.601 5.144 4.693 4.250 46.615 42.331 38.643 35.437 32.621 30.123 27.887 25.869 24.034 22.352 20.800 19.358 18.010 16.741 15.538 13.276 12.840 12.408 11.978 11.550 11.122 10.695 10.267 9.837 9.406 8.972 8.535 8.095 7.653 7.210 6.766 6.322 5.880 5.442 5.009 4.583 46.704 42.417 38.728 35.522 32.707 30.213 27.982 25.973 24.148 22.479 20.944 19.523 18.199 16.961 15.795 13.642 13.235 12.834 12.440 12.051 11.668 11.289 10.915 10.545 10.179 9.816 9.456 9.100 8.747 8.396 8.048 7.703 7.361 7.021 6.685 6.352 46.786 42.497 38.806 35.599 32.786 30.294 28.068 26.063 24.246 22.587 21.064 19.657 18.350 17.131 15.989 13.894 13.502 13.116 12.739 12.368 12.003 11.645 11.292 10.945 10.603 10.265 9.933 9.605 9.281 8.962 8.646 8.334 8.026 7.722 7.421 7.123 46.861 42.570 38.878 35.671 32.859 30.368 28.145 26.145 24.334 22.682 21.167 19.771 18.477 17.272 16.145 14.090 13.706 13.330 12.963 12.602 12.249 11.902 11.561 11.227 10.898 10.575 10.257 9.944 9.636 9.332 9.033 8.738 8.448 8.161 7.878 7.599 46.931 42.639 38.946 35.739 32.927 30.438 28.217 26.220 24.413 22.767 21.259 19.871 18.586 17.392 16.277 14.250 13.872 13.503 13.142 12.789 12.443 12.104 11.772 11.445 11.125 10.811 10.502 10.199 9.901 9.607 9.319 9.034 8.755 8.479 8.207 7.940 46.997 42.705 39.010 35.802 32.990 30.502 28.283 26.289 24.485 22.844 21.341 19.960 18.682 17.496 16.391 14.385 14.013 13.649 13.293 12.945 12.604 12.271 11.944 11.624 11.310 11.002 10.700 10.403 10.112 9.826 9.544 9.267 8.995 8.727 8.463 8.203 47.061 42.767 39.071 35.863 33.051 30.564 28.346 26.354 24.553 22.915 21.417 20.040 18.769 17.590 16.492 14.503 14.134 13.774 13.422 13.078 12.742 12.413 12.090 11.775 11.466 11.162 10.865 10.573 10.287 10.006 9.730 9.458 9.191 8.928 8.670 8.416 47.122 42.827 39.129 35.920 33.108 30.621 28.405 26.414 24.615 22.980 21.486 20.113 18.847 17.674 16.582 14.607 14.241 13.884 13.536 13.195 12.862 12.536 12.217 11.905 11.600 11.300 11.007 10.719 10.436 10.159 9.887 9.619 9.356 9.098 8.844 8.594 99999.999 42.885 39.185 35.975 33.163 30.677 28.461 26.472 24.675 23.042 21.550 20.181 18.919 17.750 16.664 14.700 14.337 13.982 13.636 13.298 12.968 12.645 12.329 12.020 11.717 11.421 11.130 10.845 10.566 10.292 10.023 9.758 9.499 9.243 8.993 8.746 HClO,aq HClO(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 3 1.000 1 1.000 3 0.500 31 8.379 7.551 6.836 6.210 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.379 7.551 6.836 6.210 5.652 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.379 7.551 6.836 6.210 5.652 5.149 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.379 7.551 6.836 6.209 5.652 5.149 4.688 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.379 7.551 6.836 6.209 5.652 5.149 4.689 4.259 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.378 7.550 6.835 6.209 5.652 5.149 4.689 4.260 3.853 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.378 7.550 6.835 6.208 5.652 5.149 4.689 4.261 3.854 3.461 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.377 7.549 6.834 6.208 5.651 5.149 4.690 4.262 3.856 3.464 3.072 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.375 7.547 6.833 6.207 5.651 5.149 4.690 4.263 3.859 3.468 3.079 2.675 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.373 7.545 6.831 6.206 5.650 5.149 4.691 4.265 3.862 3.473 3.087 2.689 2.253 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.370 7.543 6.829 6.204 5.649 5.149 4.692 4.267 3.866 3.479 3.097 2.706 2.282 1.779 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.367 7.539 6.826 6.202 5.648 5.149 4.693 4.270 3.871 3.487 3.110 2.726 2.317 1.846 1.170 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.364 7.537 6.824 6.200 5.647 5.149 4.694 4.272 3.874 3.493 3.119 2.741 2.341 1.890 1.287 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.360 7.533 6.820 6.198 5.645 5.148 4.695 4.274 3.879 3.501 3.132 2.760 2.374 1.946 1.408 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.356 7.529 6.817 6.195 5.644 5.148 4.695 4.277 3.884 3.509 3.143 2.779 2.403 1.995 1.502 -0.308 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.352 7.525 6.814 6.193 5.642 5.147 4.696 4.279 3.888 3.516 3.154 2.796 2.429 2.039 1.582 0.528 -0.018 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.347 7.521 6.810 6.190 5.640 5.147 4.697 4.281 3.892 3.522 3.164 2.811 2.454 2.077 1.650 0.766 0.453 0.024 -0.592 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.343 7.517 6.807 6.187 5.639 5.146 4.697 4.283 3.896 3.528 3.174 2.826 2.476 2.112 1.709 0.905 0.665 0.375 0.008 -0.465 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.338 7.513 6.803 6.185 5.637 5.145 4.698 4.285 3.900 3.534 3.183 2.839 2.496 2.144 1.761 1.004 0.799 0.567 0.295 -0.030 -0.425 -0.896 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.334 7.509 6.800 6.182 5.635 5.144 4.698 4.287 3.903 3.540 3.192 2.852 2.515 2.172 1.807 1.082 0.899 0.698 0.473 0.218 -0.078 -0.421 -0.815 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.329 7.504 6.796 6.179 5.633 5.143 4.698 4.288 3.906 3.545 3.200 2.864 2.532 2.198 1.848 1.146 0.978 0.797 0.600 0.384 0.142 -0.131 -0.437 -0.779 -1.152 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.324 7.500 6.793 6.176 5.631 5.142 4.698 4.290 3.909 3.550 3.207 2.875 2.548 2.221 1.884 1.201 1.044 0.877 0.699 0.507 0.298 0.068 -0.185 -0.463 -0.766 -1.091 -1.433 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.320 7.496 6.789 6.173 5.629 5.141 4.698 4.291 3.912 3.555 3.214 2.885 2.563 2.242 1.915 1.249 1.100 0.944 0.780 0.605 0.417 0.216 -0.003 -0.239 -0.494 -0.768 -1.057 -1.357 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.315 7.492 6.786 6.171 5.627 5.140 4.698 4.292 3.915 3.559 3.221 2.895 2.577 2.262 1.943 1.292 1.150 1.002 0.848 0.685 0.514 0.332 0.137 -0.071 -0.293 -0.529 -0.778 -1.038 -1.307 -1.580 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.310 7.487 6.782 6.168 5.625 5.139 4.698 4.293 3.917 3.564 3.227 2.904 2.589 2.279 1.968 1.331 1.194 1.053 0.907 0.754 0.595 0.427 0.250 0.062 -0.136 -0.345 -0.565 -0.794 -1.031 -1.274 -1.519 99999.999 99999.999 99999.999 99999.999 99999.999 8.305 7.483 6.778 6.165 5.623 5.137 4.698 4.294 3.919 3.568 3.233 2.912 2.601 2.295 1.990 1.366 1.234 1.098 0.959 0.814 0.664 0.507 0.343 0.171 -0.009 -0.198 -0.395 -0.601 -0.813 -1.031 -1.252 -1.474 -1.696 99999.999 99999.999 99999.999 8.300 7.478 6.774 6.162 5.620 5.136 4.697 4.295 3.922 3.571 3.239 2.920 2.612 2.310 2.009 1.398 1.270 1.140 1.005 0.867 0.725 0.577 0.423 0.263 0.097 -0.077 -0.257 -0.444 -0.637 -0.835 -1.036 -1.239 -1.442 -1.644 99999.999 99999.999 8.295 7.474 6.771 6.159 5.618 5.135 4.697 4.296 3.924 3.575 3.244 2.928 2.622 2.323 2.027 1.428 1.304 1.177 1.048 0.915 0.779 0.638 0.493 0.343 0.187 0.026 -0.141 -0.314 -0.491 -0.673 -0.858 -1.045 -1.232 -1.419 -1.605 -1.786 8.290 7.469 6.767 6.156 5.616 5.133 4.696 4.296 3.926 3.578 3.250 2.935 2.632 2.336 2.044 1.455 1.334 1.212 1.086 0.958 0.827 0.693 0.555 0.412 0.265 0.114 -0.042 -0.203 -0.368 -0.536 -0.707 -0.881 -1.056 -1.230 -1.403 -1.574 8.235 7.423 6.728 6.124 5.591 5.117 4.688 4.298 3.939 3.604 3.290 2.993 2.710 2.437 2.172 1.659 1.558 1.457 1.355 1.254 1.152 1.049 0.946 0.843 0.738 0.633 0.527 0.420 0.312 0.204 0.094 -0.016 -0.126 -0.237 -0.348 -0.459 8.175 7.373 6.686 6.089 5.564 5.096 4.676 4.294 3.943 3.619 3.317 3.032 2.763 2.506 2.259 1.790 1.699 1.609 1.519 1.430 1.341 1.252 1.164 1.076 0.988 0.900 0.812 0.724 0.636 0.548 0.461 0.373 0.285 0.197 0.109 0.021 8.112 7.321 6.642 6.053 5.534 5.073 4.660 4.285 3.942 3.626 3.333 3.059 2.800 2.556 2.322 1.883 1.799 1.716 1.633 1.552 1.471 1.391 1.311 1.232 1.154 1.076 0.998 0.921 0.844 0.767 0.690 0.614 0.538 0.462 0.387 0.311 8.045 7.267 6.597 6.015 5.503 5.048 4.641 4.272 3.936 3.628 3.342 3.077 2.827 2.592 2.369 1.953 1.874 1.796 1.719 1.643 1.568 1.493 1.420 1.347 1.275 1.203 1.133 1.062 0.992 0.923 0.854 0.785 0.717 0.649 0.581 0.514 7.977 7.212 6.551 5.975 5.470 5.022 4.620 4.257 3.927 3.625 3.346 3.088 2.846 2.619 2.404 2.007 1.932 1.858 1.785 1.713 1.642 1.572 1.503 1.435 1.368 1.301 1.235 1.170 1.105 1.041 0.977 0.914 0.851 0.789 0.727 0.665 7.906 7.155 6.503 5.935 5.436 4.993 4.597 4.240 3.915 3.619 3.346 3.094 2.858 2.638 2.431 2.049 1.977 1.906 1.837 1.768 1.701 1.635 1.569 1.505 1.441 1.378 1.316 1.255 1.194 1.134 1.074 1.015 0.956 0.898 0.840 0.783 7.834 7.098 6.454 5.893 5.401 4.964 4.573 4.221 3.901 3.610 3.343 3.096 2.866 2.652 2.451 2.082 2.013 1.945 1.878 1.813 1.748 1.685 1.622 1.561 1.500 1.440 1.381 1.323 1.265 1.208 1.152 1.096 1.040 0.986 0.931 0.877 99999.999 7.039 6.405 5.851 5.364 4.933 4.547 4.200 3.886 3.599 3.336 3.094 2.870 2.661 2.466 2.108 2.041 1.976 1.912 1.848 1.786 1.725 1.666 1.606 1.548 1.491 1.435 1.379 1.324 1.269 1.215 1.162 1.109 1.057 1.005 0.954 ClO- ClO(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 4 0.250 1 1.000 3 0.250 4 -0.250 6 54.203 49.681 45.840 42.536 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.203 49.681 45.840 42.536 39.663 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.203 49.680 45.839 42.536 39.663 37.140 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.202 49.680 45.839 42.535 39.663 37.139 34.903 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.201 49.679 45.838 42.534 39.662 37.138 34.902 32.905 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.199 49.677 45.836 42.533 39.660 37.137 34.901 32.904 31.107 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.196 49.674 45.833 42.531 39.658 37.135 34.899 32.902 31.105 29.477 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.193 49.670 45.830 42.527 39.655 37.132 34.897 32.900 31.103 29.476 27.990 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.187 49.665 45.825 42.522 39.651 37.128 34.893 32.897 31.101 29.473 27.989 26.623 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.180 49.658 45.818 42.516 39.645 37.123 34.888 32.892 31.097 29.470 27.987 26.622 25.355 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.171 49.649 45.809 42.508 39.637 37.116 34.882 32.887 31.092 29.466 27.984 26.621 25.358 24.167 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.159 49.637 45.798 42.498 39.628 37.107 34.874 32.879 31.085 29.461 27.980 26.620 25.360 24.178 23.025 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.150 49.628 45.790 42.490 39.620 37.100 34.867 32.874 31.080 29.457 27.977 26.618 25.361 24.185 23.051 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.137 49.615 45.777 42.478 39.609 37.090 34.858 32.865 31.073 29.451 27.972 26.616 25.363 24.192 23.076 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.125 49.602 45.765 42.467 39.599 37.080 34.849 32.857 31.066 29.445 27.968 26.613 25.363 24.198 23.093 20.861 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.112 49.590 45.753 42.455 39.588 37.070 34.840 32.849 31.059 29.439 27.963 26.611 25.363 24.202 23.107 21.082 20.616 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.099 49.577 45.741 42.444 39.578 37.061 34.831 32.841 31.052 29.433 27.958 26.607 25.362 24.205 23.118 21.140 20.737 20.313 19.847 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.087 49.564 45.729 42.433 39.567 37.051 34.823 32.833 31.045 29.426 27.953 26.604 25.361 24.208 23.127 21.171 20.788 20.401 20.002 19.583 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.074 49.552 45.717 42.422 39.557 37.041 34.814 32.825 31.038 29.420 27.948 26.600 25.359 24.209 23.134 21.192 20.819 20.447 20.074 19.694 19.304 18.901 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.062 49.540 45.705 42.410 39.546 37.032 34.805 32.817 31.030 29.414 27.943 26.596 25.357 24.210 23.139 21.206 20.839 20.476 20.115 19.754 19.391 19.022 18.647 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.050 49.527 45.694 42.399 39.536 37.022 34.796 32.809 31.023 29.408 27.938 26.592 25.355 24.210 23.143 21.217 20.854 20.497 20.144 19.793 19.444 19.094 18.742 18.388 18.033 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.037 49.515 45.682 42.388 39.526 37.013 34.787 32.801 31.016 29.401 27.932 26.588 25.352 24.210 23.146 21.226 20.866 20.512 20.164 19.820 19.480 19.141 18.804 18.466 18.129 17.793 17.458 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.025 49.503 45.670 42.378 39.516 37.003 34.779 32.793 31.009 29.395 27.927 26.584 25.350 24.209 23.148 21.233 20.875 20.525 20.180 19.841 19.506 19.175 18.847 18.521 18.196 17.873 17.553 17.235 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.013 49.491 45.659 42.367 39.506 36.994 34.770 32.785 31.002 29.389 27.922 26.580 25.346 24.207 23.149 21.238 20.883 20.534 20.192 19.857 19.526 19.201 18.879 18.560 18.245 17.932 17.621 17.314 17.011 16.711 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.001 49.479 45.647 42.356 39.496 36.985 34.762 32.777 30.995 29.382 27.916 26.575 25.343 24.205 23.149 21.243 20.889 20.542 20.203 19.870 19.542 19.220 18.903 18.590 18.281 17.975 17.673 17.374 17.079 16.787 16.501 99999.999 99999.999 99999.999 99999.999 99999.999 53.989 49.467 45.636 42.345 39.486 36.976 34.753 32.770 30.988 29.376 27.911 26.571 25.340 24.203 23.149 21.246 20.893 20.548 20.211 19.880 19.555 19.236 18.923 18.614 18.310 18.009 17.713 17.420 17.131 16.847 16.566 16.291 16.020 99999.999 99999.999 99999.999 53.978 49.455 45.625 42.335 39.476 36.966 34.744 32.762 30.980 29.370 27.905 26.566 25.336 24.201 23.148 21.249 20.897 20.554 20.218 19.889 19.566 19.250 18.939 18.633 18.333 18.036 17.744 17.457 17.173 16.894 16.619 16.348 16.082 15.822 99999.999 99999.999 53.966 49.443 45.613 42.324 39.466 36.957 34.736 32.754 30.973 29.363 27.899 26.561 25.332 24.198 23.147 21.251 20.901 20.558 20.223 19.896 19.575 19.261 18.952 18.649 18.351 18.058 17.770 17.486 17.207 16.932 16.661 16.395 16.133 15.877 15.625 15.379 53.954 49.432 45.602 42.314 39.456 36.948 34.727 32.746 30.966 29.357 27.894 26.557 25.328 24.195 23.145 21.253 20.903 20.562 20.228 19.902 19.583 19.270 18.963 18.662 18.367 18.077 17.791 17.511 17.235 16.963 16.696 16.433 16.175 15.922 15.674 15.430 53.841 49.318 45.493 42.211 39.360 36.858 34.644 32.670 30.896 29.293 27.837 26.507 25.286 24.162 23.121 21.252 20.908 20.573 20.246 19.928 19.617 19.313 19.016 18.726 18.443 18.165 17.894 17.628 17.367 17.112 16.862 16.617 16.376 16.140 15.909 15.682 53.733 49.208 45.388 42.112 39.267 36.772 34.564 32.595 30.827 29.230 27.780 26.455 25.241 24.122 23.088 21.235 20.894 20.563 20.240 19.925 19.618 19.318 19.026 18.741 18.462 18.190 17.923 17.663 17.408 17.159 16.915 16.676 16.442 16.212 15.987 15.767 53.628 49.103 45.287 42.016 39.177 36.688 34.485 32.522 30.759 29.167 27.722 26.403 25.194 24.080 23.052 21.210 20.872 20.542 20.222 19.910 19.605 19.309 19.019 18.737 18.461 18.192 17.928 17.671 17.420 17.174 16.933 16.698 16.467 16.241 16.020 15.804 53.527 49.001 45.189 41.923 39.090 36.606 34.408 32.450 30.692 29.105 27.665 26.350 25.146 24.037 23.013 21.180 20.844 20.517 20.198 19.888 19.586 19.291 19.004 18.723 18.450 18.183 17.922 17.667 17.418 17.174 16.936 16.703 16.475 16.251 16.033 15.818 53.429 48.901 45.093 41.832 39.004 36.525 34.333 32.379 30.626 29.044 27.608 26.297 25.097 23.992 22.972 21.148 20.813 20.488 20.171 19.862 19.562 19.269 18.983 18.704 18.432 18.167 17.908 17.655 17.407 17.166 16.929 16.698 16.472 16.250 16.033 15.821 53.334 48.803 44.999 41.743 38.920 36.446 34.259 32.310 30.561 28.983 27.551 26.244 25.048 23.947 22.931 21.113 20.780 20.456 20.141 19.834 19.534 19.243 18.959 18.681 18.411 18.147 17.889 17.638 17.392 17.151 16.917 16.687 16.462 16.242 16.026 15.815 53.240 48.708 44.906 41.656 38.838 36.369 34.186 32.241 30.497 28.923 27.494 26.192 24.998 23.901 22.888 21.078 20.746 20.423 20.109 19.803 19.505 19.215 18.932 18.656 18.387 18.124 17.868 17.617 17.373 17.134 16.900 16.671 16.448 16.229 16.015 15.805 99999.999 48.614 44.815 41.569 38.756 36.292 34.114 32.173 30.433 28.863 27.438 26.139 24.949 23.855 22.845 21.041 20.710 20.389 20.076 19.771 19.474 19.185 18.903 18.629 18.361 18.099 17.844 17.594 17.351 17.113 16.880 16.653 16.430 16.212 15.999 15.791 ClO- ClO(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 2 1.000 3 0.500 31 16.178 15.101 14.230 13.508 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.178 15.101 14.230 13.508 12.901 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.178 15.101 14.229 13.507 12.901 12.385 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.176 15.099 14.228 13.506 12.899 12.384 11.943 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.174 15.097 14.226 13.504 12.897 12.382 11.941 11.561 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.170 15.093 14.222 13.501 12.894 12.379 11.938 11.558 11.229 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.164 15.088 14.217 13.496 12.889 12.375 11.934 11.554 11.225 10.941 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.156 15.080 14.209 13.488 12.883 12.368 11.927 11.548 11.219 10.935 10.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.145 15.068 14.198 13.478 12.873 12.359 11.919 11.539 11.211 10.927 10.683 10.475 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.129 15.054 14.184 13.465 12.861 12.347 11.907 11.528 11.201 10.917 10.672 10.463 10.292 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.109 15.034 14.166 13.448 12.844 12.331 11.892 11.514 11.187 10.903 10.658 10.449 10.275 10.146 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.084 15.009 14.142 13.425 12.823 12.311 11.873 11.495 11.169 10.885 10.641 10.431 10.255 10.118 10.058 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.064 14.990 14.124 13.408 12.807 12.296 11.858 11.481 11.155 10.872 10.627 10.416 10.239 10.099 10.016 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.036 14.963 14.098 13.383 12.783 12.274 11.837 11.461 11.135 10.853 10.608 10.397 10.218 10.073 9.974 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.008 14.936 14.072 13.359 12.760 12.252 11.816 11.441 11.116 10.833 10.589 10.377 10.197 10.049 9.940 10.192 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.980 14.908 14.047 13.335 12.737 12.230 11.795 11.421 11.096 10.815 10.570 10.358 10.177 10.027 9.911 9.877 9.991 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.952 14.882 14.021 13.311 12.714 12.208 11.775 11.401 11.077 10.796 10.551 10.340 10.158 10.005 9.884 9.778 9.809 9.881 10.006 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.924 14.855 13.996 13.287 12.692 12.187 11.754 11.381 11.058 10.777 10.533 10.321 10.139 9.985 9.860 9.719 9.723 9.747 9.798 9.879 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.897 14.828 13.970 13.263 12.669 12.165 11.734 11.362 11.039 10.759 10.515 10.303 10.120 9.965 9.837 9.676 9.667 9.670 9.689 9.726 9.784 9.860 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.870 14.802 13.945 13.239 12.647 12.144 11.713 11.342 11.020 10.741 10.497 10.285 10.102 9.946 9.815 9.640 9.624 9.616 9.618 9.633 9.662 9.705 9.761 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.842 14.775 13.920 13.216 12.624 12.123 11.693 11.323 11.002 10.723 10.479 10.268 10.084 9.927 9.795 9.609 9.588 9.573 9.566 9.568 9.580 9.602 9.635 9.678 9.729 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.815 14.749 13.896 13.192 12.602 12.102 11.673 11.304 10.983 10.705 10.462 10.250 10.067 9.909 9.775 9.582 9.557 9.537 9.524 9.518 9.519 9.528 9.546 9.572 9.606 9.645 9.688 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.788 14.723 13.871 13.169 12.580 12.081 11.653 11.285 10.965 10.687 10.445 10.233 10.049 9.891 9.756 9.556 9.529 9.506 9.489 9.477 9.471 9.471 9.479 9.493 9.514 9.541 9.572 9.607 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.761 14.697 13.847 13.146 12.559 12.060 11.634 11.266 10.947 10.669 10.427 10.216 10.032 9.873 9.737 9.533 9.504 9.478 9.458 9.442 9.431 9.425 9.425 9.431 9.443 9.460 9.481 9.506 9.534 9.563 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.735 14.672 13.822 13.123 12.537 12.040 11.614 11.247 10.929 10.652 10.410 10.199 10.015 9.856 9.719 9.511 9.480 9.453 9.430 9.411 9.396 9.386 9.381 9.380 9.385 9.394 9.408 9.425 9.446 9.468 9.492 99999.999 99999.999 99999.999 99999.999 99999.999 15.708 14.646 13.798 13.100 12.515 12.019 11.595 11.228 10.911 10.635 10.393 10.183 9.999 9.839 9.702 9.490 9.458 9.429 9.404 9.383 9.365 9.352 9.342 9.337 9.337 9.340 9.348 9.359 9.373 9.389 9.408 9.428 9.448 99999.999 99999.999 99999.999 15.682 14.621 13.774 13.077 12.494 11.999 11.575 11.210 10.893 10.617 10.377 10.166 9.982 9.822 9.685 9.470 9.437 9.407 9.380 9.357 9.337 9.321 9.309 9.300 9.295 9.294 9.297 9.303 9.312 9.323 9.337 9.352 9.369 9.386 99999.999 99999.999 15.655 14.595 13.750 13.055 12.472 11.979 11.556 11.191 10.875 10.600 10.360 10.150 9.966 9.806 9.668 9.451 9.417 9.386 9.358 9.333 9.312 9.293 9.279 9.267 9.259 9.254 9.253 9.255 9.259 9.266 9.276 9.287 9.300 9.313 9.328 9.342 15.629 14.570 13.726 13.032 12.451 11.958 11.537 11.173 10.858 10.583 10.343 10.133 9.950 9.790 9.651 9.432 9.398 9.366 9.337 9.311 9.288 9.268 9.251 9.237 9.227 9.219 9.214 9.213 9.214 9.217 9.223 9.231 9.240 9.250 9.262 9.273 15.372 14.323 13.493 12.813 12.244 11.762 11.350 10.995 10.687 10.419 10.184 9.978 9.797 9.638 9.498 9.270 9.232 9.196 9.162 9.130 9.101 9.073 9.048 9.024 9.002 8.982 8.964 8.948 8.933 8.920 8.908 8.898 8.889 8.882 8.876 8.871 15.122 14.085 13.269 12.602 12.045 11.574 11.172 10.825 10.524 10.262 10.033 9.831 9.653 9.497 9.359 9.131 9.092 9.055 9.020 8.987 8.955 8.926 8.898 8.872 8.847 8.824 8.802 8.782 8.763 8.745 8.729 8.714 8.700 8.687 8.675 8.664 14.880 13.854 13.052 12.398 11.853 11.393 11.000 10.661 10.368 10.112 9.888 9.691 9.517 9.364 9.229 9.003 8.965 8.928 8.893 8.859 8.828 8.798 8.769 8.742 8.717 8.693 8.670 8.648 8.628 8.609 8.590 8.574 8.558 8.543 8.529 8.516 14.642 13.628 12.840 12.199 11.666 11.216 10.833 10.502 10.216 9.967 9.748 9.556 9.387 9.237 9.105 8.884 8.845 8.809 8.774 8.741 8.710 8.680 8.652 8.625 8.599 8.575 8.552 8.530 8.509 8.489 8.471 8.453 8.437 8.421 8.406 8.392 14.409 13.408 12.633 12.005 11.484 11.044 10.670 10.348 10.068 9.825 9.612 9.425 9.260 9.115 8.986 8.769 8.732 8.696 8.663 8.630 8.599 8.570 8.542 8.515 8.490 8.466 8.443 8.421 8.401 8.381 8.362 8.345 8.328 8.312 8.297 8.283 14.179 13.191 12.430 11.815 11.305 10.876 10.510 10.196 9.924 9.687 9.480 9.298 9.138 8.996 8.870 8.660 8.623 8.588 8.555 8.524 8.494 8.465 8.437 8.411 8.387 8.363 8.340 8.319 8.299 8.279 8.261 8.244 8.227 8.211 8.196 8.182 13.952 12.978 12.231 11.629 11.130 10.711 10.354 10.048 9.783 9.552 9.351 9.174 9.018 8.880 8.758 8.553 8.518 8.484 8.452 8.421 8.392 8.364 8.337 8.312 8.287 8.264 8.243 8.222 8.202 8.183 8.165 8.148 8.132 8.116 8.102 8.088 99999.999 12.767 12.035 11.445 10.957 10.548 10.200 9.902 9.644 9.420 9.224 9.052 8.900 8.766 8.648 8.449 8.415 8.382 8.351 8.321 8.293 8.266 8.240 8.215 8.192 8.169 8.148 8.128 8.109 8.090 8.073 8.056 8.041 8.026 8.012 7.998 HClO2,aq HClO2 P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 3 1.000 1 1.000 3 1.000 31 23.169 21.129 19.402 17.921 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.169 21.129 19.402 17.921 16.633 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.169 21.129 19.402 17.921 16.633 15.499 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.169 21.129 19.402 17.921 16.633 15.499 14.489 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.169 21.128 19.402 17.920 16.633 15.499 14.489 13.579 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.168 21.128 19.401 17.920 16.632 15.499 14.490 13.580 12.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.168 21.127 19.401 17.920 16.632 15.499 14.490 13.580 12.750 11.981 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.167 21.126 19.400 17.919 16.632 15.499 14.490 13.581 12.752 11.984 11.258 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.166 21.125 19.399 17.918 16.631 15.499 14.491 13.583 12.754 11.987 11.264 10.561 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.164 21.123 19.397 17.917 16.630 15.499 14.491 13.584 12.757 11.992 11.272 10.574 9.872 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.162 21.121 19.395 17.915 16.629 15.498 14.492 13.586 12.761 11.998 11.281 10.591 9.900 9.159 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.159 21.117 19.392 17.913 16.628 15.498 14.493 13.589 12.765 12.006 11.294 10.610 9.933 9.223 8.339 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.156 21.115 19.390 17.911 16.627 15.498 14.493 13.590 12.769 12.011 11.302 10.624 9.957 9.266 8.451 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.152 21.111 19.386 17.908 16.625 15.497 14.494 13.593 12.773 12.019 11.314 10.643 9.988 9.320 8.568 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.148 21.107 19.383 17.905 16.623 15.496 14.494 13.595 12.777 12.026 11.325 10.661 10.016 9.368 8.659 6.545 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.144 21.103 19.379 17.902 16.621 15.495 14.495 13.597 12.781 12.032 11.336 10.677 10.042 9.410 8.736 7.333 6.743 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.140 21.098 19.375 17.899 16.619 15.494 14.495 13.598 12.785 12.038 11.345 10.692 10.065 9.447 8.802 7.558 7.187 6.710 6.055 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.135 21.094 19.371 17.896 16.616 15.492 14.495 13.600 12.788 12.044 11.354 10.706 10.087 9.481 8.860 7.689 7.387 7.041 6.624 6.108 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.130 21.089 19.367 17.893 16.614 15.491 14.495 13.601 12.791 12.049 11.362 10.719 10.106 9.511 8.910 7.783 7.515 7.223 6.896 6.521 6.081 5.569 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.125 21.085 19.363 17.890 16.611 15.490 14.494 13.602 12.794 12.054 11.370 10.731 10.124 9.539 8.955 7.857 7.609 7.347 7.065 6.755 6.410 6.021 5.584 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.120 21.080 19.359 17.886 16.609 15.488 14.494 13.603 12.796 12.059 11.378 10.742 10.140 9.563 8.994 7.918 7.684 7.441 7.185 6.913 6.618 6.297 5.945 5.561 5.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.115 21.075 19.355 17.883 16.606 15.486 14.493 13.604 12.799 12.063 11.384 10.752 10.156 9.586 9.029 7.970 7.747 7.517 7.279 7.030 6.766 6.486 6.185 5.861 5.516 5.150 4.770 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.109 21.070 19.350 17.879 16.603 15.485 14.493 13.604 12.801 12.067 11.391 10.761 10.169 9.606 9.059 8.016 7.800 7.581 7.356 7.123 6.880 6.626 6.358 6.074 5.775 5.459 5.130 4.791 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.104 21.065 19.346 17.875 16.601 15.483 14.492 13.605 12.803 12.071 11.397 10.770 10.182 9.624 9.086 8.057 7.848 7.636 7.420 7.199 6.972 6.736 6.491 6.235 5.967 5.687 5.396 5.096 4.790 4.480 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.098 21.060 19.342 17.872 16.598 15.481 14.491 13.605 12.805 12.074 11.403 10.779 10.194 9.640 9.109 8.093 7.890 7.684 7.476 7.265 7.049 6.827 6.598 6.361 6.116 5.862 5.600 5.329 5.053 4.774 4.492 99999.999 99999.999 99999.999 99999.999 99999.999 23.092 21.054 19.337 17.868 16.595 15.479 14.490 13.605 12.806 12.078 11.408 10.786 10.205 9.655 9.130 8.127 7.928 7.728 7.526 7.322 7.115 6.903 6.687 6.465 6.237 6.002 5.761 5.514 5.261 5.005 4.747 4.490 4.234 99999.999 99999.999 99999.999 23.086 21.049 19.332 17.864 16.592 15.477 14.489 13.605 12.808 12.081 11.413 10.794 10.215 9.669 9.149 8.157 7.962 7.767 7.571 7.373 7.173 6.970 6.763 6.553 6.337 6.117 5.893 5.663 5.429 5.192 4.954 4.714 4.476 4.241 99999.999 99999.999 23.080 21.043 19.328 17.860 16.589 15.474 14.488 13.605 12.809 12.084 11.417 10.800 10.224 9.682 9.166 8.186 7.994 7.803 7.611 7.418 7.224 7.028 6.829 6.628 6.423 6.215 6.003 5.787 5.568 5.347 5.124 4.900 4.677 4.456 4.237 4.024 23.074 21.038 19.323 17.856 16.586 15.472 14.486 13.605 12.810 12.086 11.422 10.807 10.233 9.694 9.181 8.212 8.023 7.835 7.647 7.459 7.270 7.080 6.888 6.694 6.498 6.299 6.097 5.893 5.686 5.477 5.267 5.056 4.846 4.636 4.430 4.226 23.004 20.978 19.271 17.813 16.550 15.446 14.469 13.598 12.814 12.104 11.454 10.856 10.302 9.785 9.300 8.404 8.234 8.067 7.902 7.739 7.578 7.418 7.260 7.104 6.948 6.793 6.639 6.486 6.334 6.182 6.031 5.881 5.732 5.583 5.436 5.290 22.923 20.911 19.214 17.764 16.510 15.413 14.445 13.583 12.809 12.108 11.471 10.886 10.346 9.845 9.377 8.524 8.364 8.208 8.054 7.903 7.755 7.609 7.465 7.323 7.184 7.046 6.909 6.775 6.641 6.510 6.379 6.250 6.122 5.996 5.871 5.747 22.835 20.838 19.153 17.712 16.466 15.377 14.416 13.562 12.796 12.105 11.476 10.902 10.373 9.885 9.430 8.607 8.454 8.305 8.158 8.015 7.874 7.737 7.601 7.469 7.338 7.210 7.083 6.959 6.836 6.715 6.596 6.478 6.362 6.248 6.134 6.022 22.739 20.761 19.087 17.656 16.418 15.337 14.383 13.536 12.778 12.094 11.474 10.909 10.389 9.911 9.467 8.667 8.519 8.375 8.234 8.096 7.961 7.829 7.700 7.573 7.449 7.327 7.207 7.089 6.974 6.860 6.748 6.638 6.529 6.422 6.317 6.212 22.638 20.680 19.019 17.597 16.368 15.293 14.347 13.507 12.755 12.079 11.466 10.908 10.397 9.926 9.491 8.710 8.567 8.426 8.289 8.156 8.025 7.898 7.773 7.651 7.531 7.414 7.300 7.187 7.076 6.968 6.861 6.756 6.653 6.551 6.451 6.353 22.533 20.596 18.948 17.536 16.315 15.248 14.308 13.475 12.729 12.059 11.453 10.902 10.398 9.935 9.507 8.742 8.602 8.465 8.331 8.201 8.074 7.950 7.829 7.711 7.595 7.482 7.371 7.262 7.155 7.051 6.948 6.847 6.748 6.651 6.555 6.460 22.424 20.509 18.875 17.473 16.260 15.200 14.268 13.440 12.701 12.037 11.436 10.891 10.393 9.937 9.516 8.765 8.627 8.493 8.362 8.235 8.111 7.990 7.872 7.757 7.644 7.534 7.426 7.320 7.217 7.115 7.016 6.918 6.823 6.728 6.636 6.545 99999.999 20.421 18.799 17.408 16.203 15.151 14.225 13.403 12.670 12.011 11.417 10.877 10.385 9.934 9.519 8.780 8.645 8.513 8.385 8.260 8.139 8.020 7.905 7.792 7.682 7.574 7.469 7.366 7.265 7.167 7.070 6.975 6.882 6.790 6.701 6.612 HClO2,aq HClO2 P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 1.500 1 1.000 3 0.500 4 -0.500 6 99.219 90.287 82.622 75.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.219 90.287 82.622 75.978 70.157 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.219 90.288 82.623 75.978 70.158 65.008 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.221 90.289 82.624 75.979 70.159 65.009 60.410 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.223 90.292 82.626 75.981 70.161 65.011 60.412 56.268 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.227 90.295 82.629 75.985 70.164 65.015 60.416 56.271 52.504 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.232 90.300 82.634 75.990 70.169 65.020 60.421 56.277 52.510 49.053 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.240 90.308 82.641 75.997 70.176 65.027 60.429 56.286 52.520 49.064 45.856 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.251 90.318 82.651 76.006 70.186 65.037 60.439 56.297 52.533 49.079 45.875 42.857 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.266 90.332 82.664 76.019 70.199 65.050 60.453 56.312 52.550 49.099 45.900 42.892 39.998 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.285 90.350 82.682 76.036 70.216 65.067 60.471 56.332 52.571 49.125 45.932 42.936 40.065 37.200 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.310 90.373 82.704 76.057 70.237 65.089 60.494 56.356 52.599 49.157 45.972 42.989 40.144 37.342 34.273 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.329 90.390 82.720 76.074 70.253 65.106 60.511 56.375 52.620 49.181 46.002 43.028 40.201 37.437 34.521 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.355 90.415 82.744 76.097 70.277 65.130 60.536 56.402 52.650 49.215 46.044 43.082 40.277 37.558 34.772 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.382 90.440 82.768 76.121 70.300 65.153 60.561 56.428 52.679 49.249 46.083 43.133 40.347 37.665 34.967 27.883 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.408 90.465 82.792 76.143 70.323 65.176 60.585 56.454 52.707 49.281 46.122 43.181 40.413 37.761 35.130 29.742 27.994 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.434 90.489 82.815 76.166 70.345 65.199 60.609 56.479 52.734 49.312 46.158 43.227 40.473 37.847 35.270 30.280 29.043 27.573 25.737 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.459 90.513 82.838 76.188 70.367 65.222 60.632 56.504 52.761 49.342 46.194 43.271 40.530 37.927 35.394 30.592 29.517 28.349 27.034 25.515 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.485 90.537 82.860 76.210 70.389 65.244 60.655 56.528 52.788 49.372 46.228 43.313 40.584 38.000 35.504 30.815 29.818 28.777 27.666 26.456 25.120 23.651 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.510 90.560 82.883 76.232 70.411 65.266 60.677 56.552 52.814 49.401 46.262 43.353 40.634 38.067 35.602 30.989 30.040 29.068 28.059 26.998 25.867 24.654 23.356 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.535 90.583 82.905 76.254 70.432 65.287 60.700 56.575 52.839 49.429 46.294 43.391 40.682 38.130 35.691 31.135 30.217 29.289 28.341 27.363 26.346 25.280 24.158 22.980 21.755 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.559 90.606 82.927 76.275 70.453 65.309 60.722 56.599 52.864 49.456 46.325 43.428 40.727 38.188 35.771 31.259 30.365 29.467 28.559 27.635 26.688 25.711 24.699 23.649 22.562 21.446 20.310 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.583 90.629 82.949 76.296 70.474 65.330 60.743 56.621 52.888 49.483 46.356 43.463 40.770 38.241 35.843 31.369 30.493 29.617 28.738 27.851 26.951 26.033 25.094 24.129 23.139 22.124 21.092 20.048 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.607 90.652 82.970 76.317 70.495 65.350 60.765 56.644 52.912 49.510 46.385 43.498 40.811 38.292 35.909 31.468 30.606 29.748 28.890 28.030 27.163 26.287 25.398 24.493 23.570 22.631 21.677 20.712 19.743 18.776 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.631 90.674 82.992 76.338 70.515 65.371 60.786 56.666 52.936 49.535 46.414 43.531 40.849 38.339 35.969 31.557 30.707 29.863 29.022 28.183 27.341 26.496 25.643 24.781 23.908 23.024 22.130 21.227 20.319 19.411 18.509 99999.999 99999.999 99999.999 99999.999 99999.999 99.655 90.696 83.013 76.359 70.536 65.391 60.807 56.688 52.959 49.561 46.442 43.563 40.887 38.383 36.024 31.639 30.799 29.966 29.140 28.317 27.495 26.673 25.848 25.018 24.183 23.340 22.491 21.636 20.778 19.919 19.064 18.215 17.377 99999.999 99999.999 99999.999 99.678 90.718 83.034 76.379 70.556 65.411 60.827 56.709 52.982 49.586 46.470 43.594 40.922 38.425 36.076 31.716 30.884 30.061 29.245 28.436 27.630 26.826 26.023 25.219 24.412 23.602 22.788 21.971 21.152 20.333 19.517 18.706 17.904 17.113 99999.999 99999.999 99.701 90.740 83.055 76.399 70.576 65.431 60.848 56.730 53.005 49.610 46.497 43.624 40.957 38.465 36.123 31.787 30.962 30.147 29.342 28.543 27.751 26.962 26.176 25.392 24.608 23.823 23.037 22.251 21.464 20.678 19.894 19.116 18.344 17.582 16.833 16.097 99.724 90.761 83.075 76.419 70.595 65.451 60.868 56.751 53.027 49.634 46.523 43.653 40.990 38.504 36.169 31.853 31.035 30.228 29.430 28.642 27.860 27.084 26.313 25.545 24.779 24.015 23.251 22.489 21.728 20.969 20.213 19.462 18.717 17.980 17.254 16.540 99.942 90.967 83.271 76.609 70.782 65.637 61.057 56.947 53.232 49.853 46.761 43.915 41.282 38.833 36.545 32.368 31.587 30.822 30.071 29.334 28.610 27.898 27.198 26.508 25.829 25.159 24.498 23.846 23.203 22.567 21.939 21.318 20.705 20.100 19.502 18.912 100.144 91.158 83.453 76.785 70.954 65.808 61.229 57.122 53.414 50.045 46.965 44.135 41.521 39.096 36.836 32.732 31.970 31.224 30.494 29.779 29.080 28.394 27.721 27.061 26.413 25.777 25.151 24.536 23.931 23.336 22.751 22.174 21.606 21.046 20.495 19.952 100.332 91.336 83.624 76.949 71.114 65.967 61.387 57.283 53.579 50.216 47.145 44.326 41.726 39.317 37.076 33.020 32.268 31.534 30.817 30.116 29.430 28.759 28.101 27.458 26.827 26.208 25.601 25.005 24.420 23.846 23.282 22.727 22.181 21.645 21.117 20.598 100.510 91.505 83.785 77.104 71.265 66.115 61.535 57.431 53.730 50.372 47.307 44.497 41.907 39.510 37.282 33.260 32.516 31.790 31.081 30.389 29.712 29.050 28.403 27.770 27.150 26.542 25.947 25.363 24.791 24.229 23.678 23.137 22.605 22.083 21.569 21.064 100.679 91.666 83.938 77.251 71.408 66.255 61.674 57.571 53.871 50.516 47.456 44.652 42.070 39.682 37.465 33.467 32.729 32.008 31.306 30.620 29.950 29.295 28.655 28.029 27.416 26.817 26.229 25.654 25.090 24.537 23.995 23.463 22.940 22.427 21.924 21.429 100.842 91.820 84.084 77.392 71.544 66.389 61.806 57.702 54.004 50.651 47.594 44.794 42.218 39.837 37.628 33.650 32.916 32.200 31.502 30.821 30.156 29.506 28.871 28.251 27.644 27.050 26.468 25.899 25.341 24.795 24.259 23.733 23.218 22.712 22.215 21.727 100.999 91.969 84.225 77.527 71.675 66.516 61.931 57.827 54.129 50.777 47.723 44.927 42.355 39.980 37.777 33.814 33.084 32.371 31.677 30.999 30.338 29.692 29.062 28.445 27.843 27.253 26.676 26.111 25.558 25.017 24.486 23.965 23.454 22.953 22.461 21.979 99999.999 92.113 84.361 77.656 71.800 66.639 62.052 57.946 54.248 50.897 47.845 45.051 42.483 40.112 37.915 33.964 33.236 32.526 31.835 31.160 30.502 29.860 29.232 28.619 28.020 27.433 26.860 26.299 25.750 25.211 24.684 24.167 23.660 23.163 22.675 22.197 ClO2- ClO2(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 2 1.000 3 1.000 31 24.959 23.108 21.610 20.373 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.959 23.108 21.610 20.373 19.336 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.959 23.107 21.609 20.372 19.336 18.459 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.958 23.106 21.608 20.371 19.335 18.458 17.711 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.956 23.104 21.606 20.369 19.333 18.457 17.710 17.069 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.953 23.101 21.603 20.366 19.331 18.454 17.707 17.066 16.515 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.948 23.097 21.599 20.362 19.327 18.451 17.704 17.063 16.511 16.036 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.941 23.090 21.593 20.356 19.321 18.445 17.698 17.058 16.506 16.031 15.622 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.932 23.081 21.584 20.348 19.313 18.438 17.691 17.051 16.499 16.024 15.615 15.269 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.920 23.069 21.573 20.337 19.303 18.428 17.682 17.042 16.490 16.015 15.606 15.258 14.973 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.904 23.054 21.558 20.323 19.289 18.415 17.669 17.030 16.479 16.003 15.594 15.245 14.956 14.748 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.884 23.033 21.538 20.304 19.272 18.398 17.653 17.014 16.463 15.988 15.578 15.228 14.936 14.712 14.637 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.868 23.017 21.523 20.290 19.258 18.385 17.641 17.002 16.452 15.976 15.566 15.215 14.921 14.689 14.561 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.845 22.995 21.502 20.270 19.239 18.367 17.623 16.985 16.435 15.960 15.550 15.198 14.900 14.661 14.498 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.822 22.972 21.480 20.249 19.219 18.348 17.605 16.968 16.418 15.944 15.533 15.180 14.881 14.636 14.454 15.384 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.799 22.950 21.459 20.229 19.200 18.330 17.588 16.951 16.402 15.927 15.517 15.164 14.863 14.614 14.421 14.593 14.922 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.776 22.927 21.437 20.209 19.181 18.312 17.570 16.934 16.386 15.911 15.501 15.147 14.845 14.593 14.393 14.369 14.484 14.700 15.037 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.753 22.905 21.416 20.188 19.162 18.293 17.553 16.918 16.369 15.895 15.485 15.131 14.828 14.574 14.368 14.248 14.294 14.388 14.545 14.773 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.730 22.882 21.395 20.168 19.143 18.275 17.536 16.901 16.353 15.880 15.469 15.115 14.811 14.555 14.346 14.166 14.179 14.220 14.299 14.421 14.588 14.792 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.707 22.860 21.373 20.148 19.124 18.257 17.519 16.884 16.337 15.864 15.454 15.099 14.795 14.537 14.325 14.105 14.098 14.112 14.149 14.215 14.313 14.443 14.598 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.684 22.838 21.352 20.128 19.105 18.239 17.501 16.868 16.321 15.848 15.438 15.084 14.779 14.520 14.305 14.055 14.036 14.032 14.046 14.080 14.136 14.217 14.321 14.444 14.579 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.661 22.816 21.331 20.108 19.086 18.221 17.484 16.852 16.306 15.833 15.423 15.068 14.763 14.503 14.286 14.013 13.986 13.970 13.968 13.982 14.012 14.061 14.128 14.214 14.314 14.424 14.540 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.638 22.793 21.310 20.089 19.067 18.204 17.467 16.835 16.290 15.818 15.408 15.053 14.747 14.486 14.268 13.977 13.943 13.919 13.907 13.906 13.919 13.946 13.989 14.046 14.118 14.201 14.293 14.389 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.615 22.771 21.289 20.069 19.048 18.186 17.450 16.819 16.274 15.802 15.393 15.038 14.732 14.470 14.250 13.945 13.906 13.876 13.855 13.845 13.845 13.858 13.882 13.920 13.969 14.030 14.100 14.178 14.260 14.344 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.592 22.749 21.268 20.049 19.030 18.168 17.434 16.803 16.259 15.787 15.378 15.023 14.717 14.454 14.232 13.915 13.873 13.838 13.812 13.794 13.785 13.786 13.798 13.821 13.853 13.896 13.949 14.009 14.075 14.145 14.218 99999.999 99999.999 99999.999 99999.999 99999.999 24.569 22.727 21.247 20.029 19.011 18.151 17.417 16.787 16.243 15.772 15.363 15.008 14.701 14.438 14.215 13.889 13.843 13.805 13.773 13.750 13.734 13.727 13.729 13.740 13.760 13.790 13.827 13.873 13.924 13.981 14.042 14.106 14.170 99999.999 99999.999 99999.999 24.546 22.705 21.227 20.010 18.993 18.133 17.400 16.771 16.228 15.757 15.349 14.994 14.686 14.422 14.198 13.864 13.816 13.774 13.739 13.711 13.690 13.677 13.671 13.673 13.684 13.702 13.728 13.761 13.801 13.846 13.896 13.949 14.004 14.061 99999.999 99999.999 24.523 22.683 21.206 19.990 18.974 18.116 17.383 16.755 16.213 15.742 15.334 14.979 14.672 14.407 14.181 13.841 13.791 13.746 13.708 13.676 13.651 13.633 13.621 13.616 13.619 13.629 13.645 13.668 13.698 13.733 13.773 13.816 13.863 13.912 13.962 14.013 24.500 22.661 21.185 19.971 18.956 18.098 17.367 16.739 16.197 15.728 15.320 14.965 14.657 14.392 14.165 13.819 13.767 13.721 13.680 13.645 13.616 13.594 13.577 13.567 13.563 13.566 13.575 13.590 13.611 13.637 13.668 13.703 13.742 13.783 13.827 13.871 24.271 22.443 20.980 19.778 18.774 17.927 17.204 16.584 16.048 15.583 15.179 14.826 14.519 14.251 14.018 13.645 13.584 13.527 13.474 13.425 13.380 13.338 13.301 13.267 13.236 13.209 13.185 13.165 13.148 13.134 13.122 13.114 13.109 13.106 13.106 13.108 24.041 22.228 20.779 19.590 18.597 17.759 17.045 16.433 15.904 15.444 15.045 14.695 14.390 14.123 13.889 13.508 13.444 13.384 13.327 13.274 13.224 13.177 13.134 13.093 13.055 13.020 12.988 12.958 12.930 12.905 12.882 12.862 12.843 12.827 12.812 12.800 23.812 22.015 20.581 19.405 18.424 17.596 16.890 16.285 15.763 15.310 14.915 14.570 14.267 14.002 13.770 13.388 13.323 13.262 13.204 13.149 13.097 13.049 13.003 12.959 12.919 12.880 12.845 12.811 12.780 12.751 12.723 12.698 12.675 12.653 12.633 12.615 23.584 21.804 20.385 19.222 18.253 17.435 16.738 16.141 15.625 15.178 14.788 14.447 14.149 13.887 13.656 13.276 13.212 13.150 13.092 13.037 12.985 12.935 12.888 12.844 12.802 12.763 12.726 12.691 12.658 12.627 12.598 12.571 12.545 12.521 12.499 12.478 23.355 21.594 20.191 19.042 18.084 17.276 16.588 15.999 15.490 15.048 14.664 14.328 14.033 13.775 13.547 13.171 13.106 13.045 12.987 12.932 12.880 12.831 12.784 12.739 12.697 12.658 12.620 12.584 12.551 12.519 12.490 12.461 12.435 12.410 12.387 12.365 23.126 21.385 19.999 18.863 17.917 17.119 16.441 15.859 15.357 14.921 14.542 14.211 13.920 13.665 13.441 13.069 13.005 12.945 12.887 12.833 12.781 12.732 12.685 12.641 12.599 12.560 12.522 12.487 12.453 12.421 12.391 12.363 12.336 12.311 12.288 12.265 22.898 21.177 19.808 18.686 17.752 16.964 16.294 15.720 15.225 14.796 14.422 14.095 13.809 13.558 13.337 12.970 12.907 12.848 12.791 12.737 12.686 12.637 12.591 12.548 12.506 12.467 12.430 12.394 12.361 12.329 12.300 12.271 12.245 12.220 12.196 12.174 99999.999 20.971 19.618 18.510 17.588 16.811 16.150 15.583 15.095 14.672 14.303 13.982 13.700 13.452 13.234 12.874 12.812 12.753 12.697 12.644 12.594 12.546 12.500 12.457 12.416 12.378 12.341 12.306 12.273 12.242 12.212 12.185 12.158 12.134 12.110 12.088 ClO3- ClO3(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 2 1.000 3 1.500 31 18.629 17.261 16.202 15.364 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.629 17.261 16.202 15.364 14.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.628 17.260 16.201 15.363 14.691 14.147 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.627 17.259 16.200 15.362 14.690 14.146 13.706 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.625 17.257 16.199 15.360 14.688 14.145 13.704 13.348 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.622 17.254 16.196 15.357 14.685 14.142 13.702 13.345 13.058 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.617 17.249 16.191 15.353 14.681 14.138 13.698 13.342 13.055 12.827 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.611 17.243 16.185 15.347 14.675 14.133 13.693 13.337 13.050 12.822 12.647 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.602 17.234 16.176 15.339 14.667 14.125 13.685 13.329 13.043 12.815 12.640 12.514 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.590 17.221 16.164 15.327 14.656 14.115 13.676 13.320 13.033 12.806 12.630 12.503 12.432 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.573 17.205 16.148 15.312 14.642 14.101 13.663 13.307 13.021 12.793 12.617 12.489 12.413 12.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.553 17.184 16.128 15.293 14.624 14.084 13.646 13.291 13.005 12.778 12.601 12.471 12.390 12.376 12.541 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.536 17.168 16.113 15.278 14.610 14.070 13.633 13.279 12.993 12.766 12.589 12.458 12.374 12.349 12.440 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.513 17.145 16.090 15.257 14.590 14.051 13.615 13.261 12.976 12.748 12.571 12.439 12.352 12.318 12.360 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.490 17.121 16.068 15.236 14.570 14.032 13.596 13.243 12.959 12.731 12.554 12.421 12.332 12.290 12.308 14.165 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.466 17.098 16.046 15.215 14.549 14.013 13.578 13.226 12.941 12.714 12.537 12.404 12.313 12.266 12.270 13.044 13.606 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.442 17.075 16.023 15.193 14.529 13.993 13.560 13.208 12.924 12.698 12.520 12.386 12.294 12.244 12.239 12.729 12.987 13.385 13.945 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.418 17.051 16.001 15.172 14.509 13.974 13.541 13.191 12.907 12.681 12.503 12.369 12.276 12.224 12.212 12.562 12.721 12.946 13.257 13.662 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.394 17.028 15.978 15.151 14.489 13.955 13.523 13.173 12.890 12.664 12.487 12.353 12.259 12.204 12.189 12.452 12.563 12.713 12.912 13.170 13.488 13.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.370 17.004 15.956 15.130 14.469 13.936 13.505 13.156 12.874 12.648 12.471 12.336 12.241 12.185 12.167 12.370 12.454 12.564 12.705 12.884 13.106 13.368 13.662 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.346 16.981 15.934 15.109 14.449 13.917 13.487 13.138 12.857 12.632 12.454 12.320 12.224 12.167 12.146 12.305 12.372 12.457 12.564 12.698 12.861 13.055 13.279 13.526 13.787 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.322 16.957 15.911 15.087 14.429 13.898 13.469 13.121 12.840 12.615 12.438 12.304 12.208 12.148 12.126 12.251 12.305 12.374 12.460 12.564 12.690 12.840 13.014 13.210 13.423 13.648 13.877 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.298 16.934 15.889 15.066 14.409 13.879 13.451 13.104 12.824 12.599 12.422 12.288 12.191 12.131 12.106 12.205 12.250 12.307 12.377 12.462 12.564 12.684 12.822 12.980 13.154 13.342 13.540 13.742 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.273 16.910 15.867 15.045 14.389 13.861 13.433 13.087 12.807 12.583 12.406 12.272 12.174 12.113 12.086 12.165 12.203 12.251 12.310 12.381 12.465 12.564 12.677 12.807 12.951 13.108 13.277 13.453 13.633 13.815 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.249 16.887 15.844 15.024 14.369 13.842 13.415 13.069 12.790 12.567 12.391 12.256 12.158 12.095 12.067 12.129 12.162 12.203 12.253 12.314 12.385 12.468 12.564 12.672 12.793 12.926 13.070 13.223 13.382 13.545 13.709 99999.999 99999.999 99999.999 99999.999 99999.999 18.224 16.863 15.822 15.003 14.349 13.823 13.397 13.052 12.774 12.551 12.375 12.240 12.142 12.078 12.048 12.096 12.125 12.161 12.204 12.257 12.318 12.389 12.471 12.563 12.667 12.781 12.905 13.037 13.177 13.322 13.471 13.622 13.772 99999.999 99999.999 99999.999 18.200 16.839 15.800 14.982 14.330 13.804 13.379 13.035 12.758 12.535 12.359 12.224 12.126 12.061 12.029 12.066 12.091 12.123 12.161 12.207 12.261 12.323 12.394 12.474 12.564 12.662 12.770 12.886 13.009 13.138 13.272 13.409 13.548 13.687 99999.999 99999.999 18.175 16.816 15.778 14.961 14.310 13.785 13.361 13.018 12.741 12.519 12.344 12.209 12.110 12.044 12.010 12.038 12.060 12.088 12.123 12.163 12.211 12.266 12.328 12.399 12.477 12.564 12.659 12.761 12.870 12.985 13.105 13.229 13.356 13.485 13.614 13.743 18.150 16.792 15.755 14.940 14.290 13.767 13.344 13.001 12.725 12.503 12.328 12.193 12.094 12.027 11.992 12.013 12.032 12.057 12.088 12.124 12.167 12.216 12.271 12.334 12.404 12.481 12.565 12.655 12.753 12.856 12.964 13.076 13.192 13.310 13.430 13.551 17.900 16.555 15.533 14.732 14.094 13.581 13.168 12.833 12.564 12.348 12.177 12.045 11.945 11.874 11.830 11.812 11.819 11.829 11.842 11.859 11.878 11.901 11.927 11.956 11.989 12.024 12.062 12.103 12.147 12.193 12.242 12.294 12.349 12.406 12.465 12.526 17.644 16.316 15.311 14.524 13.899 13.398 12.994 12.669 12.407 12.197 12.031 11.903 11.805 11.735 11.689 11.659 11.662 11.668 11.676 11.686 11.700 11.715 11.732 11.752 11.774 11.798 11.824 11.852 11.881 11.912 11.946 11.980 12.016 12.054 12.093 12.133 17.384 16.077 15.089 14.318 13.706 13.216 12.823 12.506 12.252 12.049 11.889 11.765 11.671 11.603 11.559 11.526 11.528 11.532 11.538 11.547 11.557 11.570 11.584 11.600 11.618 11.638 11.659 11.682 11.706 11.732 11.759 11.787 11.816 11.847 11.878 11.911 17.120 15.837 14.868 14.113 13.514 13.036 12.653 12.345 12.099 11.903 11.749 11.630 11.540 11.476 11.434 11.404 11.405 11.409 11.414 11.422 11.432 11.443 11.457 11.472 11.488 11.506 11.525 11.546 11.568 11.591 11.615 11.641 11.667 11.694 11.723 11.752 16.854 15.596 14.647 13.908 13.324 12.858 12.485 12.186 11.947 11.758 11.611 11.497 11.412 11.352 11.313 11.287 11.289 11.293 11.299 11.307 11.316 11.328 11.341 11.355 11.371 11.389 11.407 11.427 11.448 11.470 11.494 11.518 11.543 11.569 11.596 11.624 16.585 15.355 14.427 13.705 13.134 12.680 12.317 12.028 11.797 11.615 11.474 11.366 11.286 11.230 11.194 11.174 11.177 11.181 11.188 11.196 11.206 11.218 11.232 11.246 11.262 11.280 11.298 11.318 11.339 11.361 11.384 11.408 11.433 11.458 11.485 11.512 16.314 15.113 14.206 13.501 12.945 12.503 12.151 11.870 11.648 11.473 11.338 11.236 11.161 11.109 11.078 11.064 11.067 11.073 11.080 11.090 11.101 11.113 11.127 11.142 11.159 11.176 11.195 11.216 11.237 11.259 11.282 11.306 11.331 11.356 11.383 11.410 99999.999 14.871 13.986 13.299 12.757 12.327 11.985 11.714 11.500 11.332 11.204 11.107 11.037 10.990 10.963 10.955 10.960 10.967 10.975 10.986 10.997 11.011 11.025 11.041 11.059 11.077 11.097 11.117 11.139 11.161 11.185 11.209 11.234 11.260 11.287 11.314 ClO4- ClO4(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 2 1.000 3 2.000 31 16.790 15.709 14.925 14.342 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.790 15.709 14.925 14.342 13.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.789 15.708 14.924 14.341 13.906 13.583 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.788 15.707 14.922 14.340 13.904 13.581 13.347 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.785 15.704 14.920 14.337 13.902 13.579 13.345 13.181 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.781 15.700 14.916 14.334 13.899 13.576 13.342 13.178 13.073 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.774 15.694 14.911 14.329 13.894 13.572 13.337 13.173 13.068 13.014 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.765 15.686 14.903 14.321 13.887 13.565 13.331 13.167 13.062 13.008 12.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.752 15.674 14.892 14.311 13.877 13.556 13.322 13.159 13.054 12.999 12.989 13.026 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.735 15.658 14.877 14.297 13.864 13.543 13.310 13.147 13.042 12.987 12.977 13.012 13.103 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.712 15.637 14.857 14.279 13.847 13.527 13.294 13.132 13.028 12.972 12.961 12.994 13.078 13.255 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.682 15.609 14.832 14.255 13.825 13.506 13.274 13.113 13.008 12.953 12.941 12.971 13.049 13.200 13.571 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.659 15.588 14.812 14.237 13.807 13.490 13.259 13.098 12.994 12.938 12.926 12.955 13.028 13.165 13.441 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.625 15.557 14.784 14.210 13.783 13.466 13.236 13.076 12.973 12.917 12.904 12.931 13.000 13.123 13.336 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.591 15.526 14.755 14.184 13.758 13.442 13.214 13.054 12.951 12.896 12.883 12.909 12.974 13.087 13.267 15.876 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.557 15.495 14.727 14.157 13.733 13.419 13.191 13.033 12.931 12.876 12.862 12.886 12.949 13.056 13.216 14.458 15.220 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.523 15.464 14.698 14.130 13.708 13.395 13.169 13.011 12.910 12.855 12.841 12.865 12.925 13.027 13.175 14.059 14.436 14.988 15.748 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.488 15.433 14.669 14.104 13.683 13.372 13.147 12.990 12.889 12.834 12.821 12.843 12.902 13.000 13.139 13.847 14.098 14.431 14.873 15.435 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.453 15.402 14.641 14.077 13.658 13.348 13.124 12.968 12.868 12.814 12.800 12.822 12.880 12.974 13.107 13.706 13.897 14.135 14.435 14.809 15.258 15.765 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.418 15.370 14.612 14.050 13.633 13.325 13.102 12.947 12.847 12.794 12.780 12.802 12.858 12.949 13.078 13.601 13.758 13.945 14.171 14.445 14.771 15.148 15.566 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.383 15.339 14.583 14.024 13.608 13.301 13.080 12.926 12.827 12.774 12.760 12.781 12.836 12.926 13.050 13.518 13.652 13.808 13.991 14.207 14.458 14.749 15.077 15.434 15.808 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.348 15.307 14.554 13.997 13.583 13.278 13.057 12.904 12.806 12.753 12.740 12.761 12.815 12.902 13.024 13.449 13.567 13.702 13.858 14.036 14.241 14.475 14.738 15.029 15.342 15.669 16.000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.312 15.275 14.525 13.970 13.558 13.254 13.035 12.883 12.786 12.733 12.720 12.741 12.794 12.879 12.998 13.390 13.497 13.617 13.752 13.906 14.079 14.275 14.493 14.735 14.997 15.277 15.567 15.862 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.276 15.243 14.496 13.943 13.533 13.231 13.013 12.862 12.765 12.713 12.700 12.721 12.773 12.857 12.973 13.338 13.436 13.545 13.666 13.802 13.953 14.121 14.308 14.513 14.737 14.977 15.230 15.492 15.759 16.026 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.240 15.211 14.467 13.916 13.508 13.207 12.991 12.841 12.745 12.693 12.680 12.701 12.752 12.834 12.948 13.292 13.383 13.483 13.593 13.715 13.850 13.998 14.162 14.340 14.534 14.743 14.964 15.196 15.436 15.679 15.924 99999.999 99999.999 99999.999 99999.999 99999.999 16.204 15.179 14.438 13.890 13.483 13.184 12.968 12.819 12.724 12.674 12.661 12.681 12.732 12.812 12.923 13.250 13.335 13.428 13.530 13.642 13.764 13.898 14.043 14.202 14.373 14.557 14.752 14.958 15.173 15.393 15.618 15.843 16.068 99999.999 99999.999 99999.999 16.168 15.147 14.409 13.863 13.458 13.160 12.946 12.798 12.704 12.654 12.641 12.661 12.712 12.791 12.899 13.212 13.292 13.380 13.475 13.578 13.690 13.812 13.944 14.087 14.240 14.405 14.580 14.764 14.957 15.157 15.362 15.570 15.779 15.988 99999.999 99999.999 16.132 15.115 14.379 13.836 13.433 13.137 12.924 12.777 12.683 12.634 12.622 12.642 12.692 12.769 12.875 13.176 13.253 13.335 13.425 13.522 13.626 13.739 13.860 13.990 14.130 14.278 14.437 14.604 14.778 14.960 15.147 15.339 15.533 15.729 15.924 16.118 16.095 15.083 14.350 13.809 13.408 13.113 12.902 12.756 12.663 12.614 12.602 12.623 12.672 12.748 12.851 13.143 13.216 13.295 13.380 13.471 13.569 13.674 13.786 13.907 14.035 14.171 14.316 14.468 14.628 14.794 14.966 15.143 15.322 15.505 15.688 15.872 15.722 14.757 14.055 13.538 13.156 12.878 12.680 12.545 12.462 12.420 12.413 12.435 12.483 12.553 12.645 12.884 12.941 13.000 13.063 13.128 13.196 13.268 13.341 13.418 13.498 13.581 13.666 13.754 13.845 13.939 14.036 14.135 14.236 14.340 14.445 14.553 15.338 14.425 13.757 13.266 12.904 12.643 12.458 12.335 12.262 12.228 12.228 12.255 12.305 12.376 12.464 12.688 12.739 12.792 12.848 12.905 12.964 13.025 13.088 13.153 13.219 13.287 13.356 13.427 13.500 13.574 13.649 13.725 13.803 13.882 13.962 14.043 14.944 14.088 13.457 12.992 12.652 12.407 12.237 12.127 12.064 12.039 12.046 12.079 12.134 12.207 12.296 12.516 12.565 12.616 12.669 12.723 12.779 12.836 12.895 12.955 13.016 13.078 13.141 13.205 13.271 13.337 13.404 13.472 13.541 13.610 13.680 13.751 14.543 13.748 13.154 12.717 12.398 12.172 12.017 11.919 11.866 11.851 11.866 11.905 11.965 12.043 12.135 12.357 12.406 12.456 12.508 12.562 12.616 12.672 12.729 12.786 12.845 12.905 12.965 13.027 13.089 13.152 13.215 13.280 13.344 13.410 13.475 13.542 14.136 13.404 12.850 12.441 12.145 11.936 11.796 11.711 11.670 11.664 11.687 11.733 11.800 11.882 11.979 12.205 12.254 12.305 12.357 12.411 12.465 12.520 12.577 12.634 12.692 12.751 12.811 12.871 12.932 12.993 13.055 13.118 13.181 13.244 13.308 13.372 13.724 13.058 12.544 12.164 11.891 11.700 11.576 11.504 11.474 11.477 11.509 11.563 11.636 11.724 11.825 12.057 12.108 12.160 12.213 12.267 12.321 12.377 12.434 12.491 12.549 12.608 12.668 12.728 12.788 12.849 12.911 12.973 13.035 13.098 13.161 13.224 13.307 12.709 12.237 11.887 11.636 11.465 11.356 11.297 11.278 11.292 11.332 11.394 11.473 11.567 11.673 11.913 11.965 12.018 12.072 12.127 12.183 12.239 12.297 12.354 12.413 12.472 12.532 12.592 12.653 12.714 12.776 12.838 12.900 12.963 13.026 13.089 99999.999 12.359 11.929 11.609 11.382 11.229 11.136 11.090 11.083 11.107 11.155 11.225 11.311 11.411 11.522 11.772 11.825 11.879 11.934 11.990 12.047 12.105 12.163 12.222 12.281 12.341 12.402 12.463 12.524 12.586 12.648 12.710 12.773 12.836 12.899 12.962 Co+3 Co(+3) P-T:All Charge = 3. Radius(Å) = 3.46 Alk. = 0.000 Ref: Shock07 5 1.125 1 0.125 4 1.000 28 -0.125 6 -0.500 2 30.687 28.774 27.161 25.783 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.687 28.774 27.161 25.783 24.593 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.687 28.774 27.161 25.783 24.593 23.557 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.687 28.774 27.161 25.782 24.592 23.557 22.650 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.686 28.773 27.160 25.782 24.592 23.556 22.649 21.851 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.686 28.773 27.160 25.781 24.591 23.555 22.648 21.850 21.145 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.686 28.772 27.158 25.780 24.590 23.554 22.647 21.848 21.143 20.518 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.685 28.770 27.157 25.778 24.588 23.552 22.644 21.846 21.140 20.515 19.962 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.684 28.769 27.155 25.776 24.585 23.549 22.641 21.842 21.136 20.511 19.957 19.468 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.683 28.766 27.152 25.772 24.582 23.545 22.637 21.838 21.131 20.505 19.950 19.460 19.019 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.681 28.763 27.148 25.768 24.577 23.540 22.632 21.832 21.125 20.497 19.942 19.450 19.009 18.580 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.679 28.759 27.143 25.763 24.571 23.534 22.625 21.825 21.116 20.488 19.931 19.436 18.994 18.582 18.061 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.678 28.756 27.140 25.759 24.567 23.529 22.620 21.819 21.110 20.481 19.922 19.425 18.982 18.575 18.156 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.676 28.752 27.134 25.753 24.561 23.523 22.613 21.811 21.101 20.471 19.910 19.411 18.964 18.558 18.190 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.674 28.748 27.129 25.748 24.555 23.516 22.606 21.803 21.093 20.461 19.899 19.396 18.945 18.538 18.183 13.876 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.673 28.744 27.125 25.742 24.549 23.510 22.599 21.796 21.084 20.452 19.888 19.382 18.928 18.516 18.160 15.990 14.842 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.672 28.740 27.120 25.737 24.544 23.504 22.592 21.788 21.076 20.443 19.877 19.369 18.911 18.494 18.131 16.499 15.939 15.125 14.013 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.670 28.737 27.115 25.732 24.538 23.498 22.586 21.781 21.068 20.434 19.866 19.356 18.894 18.473 18.100 16.734 16.355 15.867 15.227 14.423 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.669 28.733 27.111 25.727 24.532 23.492 22.579 21.774 21.061 20.425 19.856 19.344 18.879 18.453 18.071 16.869 16.573 16.219 15.786 15.255 14.622 13.921 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.668 28.730 27.106 25.722 24.527 23.486 22.573 21.767 21.053 20.416 19.847 19.333 18.865 18.435 18.043 16.955 16.706 16.422 16.091 15.702 15.245 14.722 14.150 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.667 28.726 27.102 25.717 24.522 23.481 22.567 21.761 21.046 20.408 19.837 19.322 18.852 18.418 18.019 17.015 16.794 16.551 16.279 15.969 15.615 15.213 14.766 14.283 13.783 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.666 28.723 27.098 25.712 24.517 23.475 22.561 21.754 21.038 20.400 19.828 19.311 18.839 18.403 17.998 17.057 16.855 16.639 16.403 16.143 15.853 15.529 15.169 14.777 14.358 13.924 13.485 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.665 28.720 27.094 25.708 24.512 23.470 22.555 21.748 21.031 20.392 19.819 19.301 18.828 18.390 17.980 17.087 16.900 16.702 16.491 16.263 16.014 15.741 15.443 15.117 14.767 14.397 14.012 13.622 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.665 28.717 27.090 25.703 24.507 23.464 22.549 21.741 21.024 20.385 19.811 19.292 18.817 18.378 17.965 17.109 16.932 16.748 16.554 16.348 16.128 15.891 15.635 15.357 15.060 14.743 14.410 14.065 13.713 13.357 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.664 28.714 27.086 25.699 24.502 23.459 22.544 21.735 21.017 20.377 19.803 19.283 18.808 18.368 17.953 17.125 16.956 16.782 16.601 16.412 16.212 16.000 15.774 15.532 15.274 14.999 14.709 14.406 14.093 13.773 13.447 99999.999 99999.999 99999.999 99999.999 99999.999 30.664 28.711 27.082 25.694 24.497 23.454 22.538 21.729 21.011 20.370 19.795 19.274 18.799 18.358 17.944 17.137 16.974 16.807 16.637 16.460 16.275 16.082 15.878 15.662 15.433 15.191 14.936 14.668 14.390 14.103 13.809 13.510 13.206 99999.999 99999.999 99999.999 30.664 28.708 27.078 25.690 24.492 23.449 22.533 21.723 21.004 20.363 19.787 19.266 18.790 18.350 17.936 17.145 16.987 16.827 16.664 16.496 16.323 16.144 15.957 15.760 15.554 15.337 15.110 14.872 14.623 14.366 14.101 13.829 13.552 13.270 99999.999 99999.999 30.663 28.706 27.074 25.686 24.488 23.444 22.527 21.717 20.998 20.356 19.779 19.258 18.782 18.343 17.930 17.150 16.996 16.841 16.684 16.524 16.360 16.192 16.018 15.837 15.648 15.451 15.245 15.030 14.807 14.575 14.335 14.089 13.837 13.579 13.316 13.049 30.663 28.703 27.071 25.682 24.483 23.439 22.522 21.712 20.992 20.349 19.772 19.250 18.774 18.335 17.924 17.154 17.003 16.852 16.700 16.546 16.389 16.229 16.065 15.896 15.721 15.540 15.351 15.156 14.953 14.742 14.525 14.301 14.070 13.835 13.594 13.349 30.666 28.681 27.039 25.644 24.442 23.394 22.474 21.660 20.935 20.287 19.705 19.179 18.701 18.263 17.858 17.129 16.993 16.859 16.729 16.600 16.473 16.348 16.225 16.103 15.982 15.861 15.742 15.622 15.503 15.384 15.264 15.144 15.024 14.903 14.781 14.658 30.676 28.666 27.012 25.612 24.407 23.356 22.433 21.616 20.887 20.235 19.648 19.118 18.636 18.196 17.791 17.069 16.937 16.808 16.682 16.559 16.439 16.322 16.208 16.096 15.986 15.879 15.774 15.671 15.569 15.470 15.372 15.276 15.181 15.088 14.996 14.905 30.691 28.655 26.991 25.585 24.376 23.323 22.397 21.577 20.846 20.190 19.599 19.065 18.579 18.136 17.729 17.007 16.875 16.746 16.622 16.501 16.382 16.268 16.156 16.047 15.940 15.837 15.736 15.637 15.541 15.447 15.355 15.266 15.179 15.093 15.010 14.929 30.710 28.648 26.973 25.562 24.349 23.293 22.366 21.543 20.809 20.151 19.557 19.019 18.530 18.083 17.673 16.947 16.815 16.686 16.561 16.440 16.322 16.208 16.096 15.988 15.882 15.779 15.679 15.582 15.487 15.395 15.305 15.218 15.132 15.050 14.969 14.890 30.733 28.644 26.958 25.541 24.325 23.267 22.337 21.513 20.777 20.116 19.519 18.978 18.486 18.036 17.623 16.892 16.759 16.630 16.505 16.383 16.264 16.149 16.038 15.929 15.823 15.720 15.620 15.523 15.428 15.336 15.246 15.159 15.074 14.992 14.911 14.833 30.758 28.643 26.946 25.523 24.303 23.243 22.311 21.485 20.747 20.084 19.486 18.942 18.447 17.994 17.579 16.843 16.709 16.579 16.453 16.330 16.211 16.095 15.983 15.873 15.767 15.663 15.563 15.465 15.370 15.277 15.187 15.099 15.014 14.931 14.851 14.772 30.786 28.643 26.936 25.507 24.284 23.221 22.288 21.460 20.720 20.056 19.455 18.910 18.412 17.957 17.539 16.798 16.663 16.532 16.405 16.282 16.162 16.045 15.932 15.822 15.715 15.610 15.509 15.411 15.315 15.222 15.131 15.043 14.957 14.873 14.792 14.713 99999.999 28.645 26.927 25.493 24.266 23.201 22.266 21.436 20.696 20.029 19.427 18.880 18.380 17.923 17.503 16.757 16.621 16.490 16.362 16.237 16.117 15.999 15.885 15.774 15.667 15.562 15.460 15.360 15.264 15.170 15.078 14.990 14.903 14.819 14.737 14.657 Co+3 Co(+3) P-T:All Charge = 3. Radius(Å) = 3.46 Alk. = 0.000 Ref: Shock07 4 1.000 1 0.250 31 1.000 28 -0.500 2 11.674 11.484 11.356 11.269 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.674 11.484 11.356 11.269 11.212 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.674 11.484 11.356 11.268 11.211 11.180 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.674 11.484 11.355 11.268 11.211 11.179 11.170 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.673 11.483 11.354 11.267 11.210 11.178 11.169 11.179 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.671 11.481 11.353 11.265 11.208 11.176 11.167 11.177 11.206 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.669 11.479 11.350 11.262 11.205 11.174 11.164 11.174 11.203 11.250 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.666 11.475 11.346 11.259 11.202 11.170 11.160 11.170 11.198 11.245 11.313 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.662 11.470 11.341 11.254 11.196 11.164 11.154 11.164 11.192 11.238 11.304 11.394 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.657 11.464 11.335 11.247 11.190 11.157 11.147 11.156 11.183 11.228 11.293 11.381 11.488 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.650 11.456 11.326 11.238 11.181 11.148 11.137 11.146 11.172 11.216 11.279 11.363 11.468 11.570 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.642 11.445 11.315 11.227 11.169 11.136 11.125 11.133 11.158 11.200 11.261 11.341 11.441 11.552 11.578 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.635 11.437 11.307 11.218 11.160 11.127 11.116 11.123 11.147 11.189 11.247 11.324 11.421 11.532 11.639 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.625 11.426 11.295 11.206 11.148 11.115 11.102 11.109 11.132 11.172 11.228 11.301 11.391 11.499 11.639 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.616 11.415 11.283 11.194 11.136 11.102 11.089 11.095 11.117 11.156 11.209 11.278 11.363 11.464 11.606 8.541 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.607 11.404 11.271 11.182 11.124 11.090 11.077 11.082 11.103 11.140 11.191 11.256 11.335 11.428 11.562 10.388 9.529 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.598 11.393 11.260 11.170 11.112 11.078 11.064 11.068 11.089 11.124 11.173 11.235 11.309 11.394 11.514 10.819 10.475 9.909 9.093 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.589 11.382 11.249 11.159 11.100 11.066 11.052 11.055 11.075 11.109 11.156 11.215 11.283 11.361 11.467 11.008 10.823 10.540 10.125 9.571 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.580 11.371 11.237 11.148 11.089 11.054 11.039 11.042 11.061 11.094 11.140 11.196 11.260 11.331 11.422 11.111 10.997 10.831 10.594 10.271 9.863 9.400 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.572 11.361 11.226 11.136 11.077 11.042 11.027 11.030 11.048 11.080 11.124 11.177 11.237 11.302 11.381 11.172 11.098 10.991 10.842 10.641 10.380 10.063 9.707 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.563 11.351 11.215 11.125 11.066 11.031 11.016 11.018 11.035 11.066 11.108 11.159 11.216 11.276 11.345 11.211 11.161 11.089 10.990 10.856 10.683 10.468 10.213 9.928 9.631 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.555 11.340 11.205 11.114 11.055 11.020 11.004 11.005 11.022 11.052 11.093 11.142 11.196 11.252 11.312 11.234 11.201 11.152 11.083 10.992 10.872 10.722 10.541 10.330 10.097 9.850 9.600 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.547 11.330 11.194 11.103 11.044 11.008 10.992 10.993 11.009 11.038 11.078 11.126 11.178 11.231 11.284 11.249 11.226 11.193 11.145 11.080 10.996 10.890 10.759 10.603 10.426 10.230 10.022 9.807 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.539 11.320 11.184 11.093 11.033 10.997 10.981 10.982 10.997 11.025 11.064 11.110 11.160 11.211 11.259 11.256 11.242 11.220 11.187 11.141 11.081 11.003 10.908 10.793 10.659 10.507 10.340 10.161 9.975 9.783 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.531 11.310 11.173 11.082 11.022 10.986 10.970 10.970 10.985 11.012 11.050 11.095 11.144 11.193 11.238 11.259 11.252 11.237 11.215 11.182 11.139 11.083 11.013 10.927 10.825 10.708 10.576 10.432 10.277 10.113 9.943 99999.999 99999.999 99999.999 99999.999 99999.999 11.523 11.301 11.163 11.072 11.012 10.976 10.959 10.959 10.973 10.999 11.036 11.080 11.128 11.176 11.220 11.259 11.256 11.248 11.233 11.211 11.180 11.139 11.088 11.023 10.947 10.856 10.753 10.638 10.511 10.375 10.230 10.078 9.920 99999.999 99999.999 99999.999 11.516 11.291 11.153 11.061 11.001 10.965 10.948 10.947 10.961 10.987 11.023 11.066 11.113 11.161 11.205 11.255 11.257 11.253 11.245 11.230 11.209 11.180 11.142 11.094 11.036 10.966 10.886 10.795 10.693 10.581 10.460 10.331 10.195 10.052 99999.999 99999.999 11.508 11.282 11.143 11.051 10.991 10.955 10.937 10.936 10.949 10.974 11.009 11.052 11.099 11.147 11.191 11.250 11.254 11.255 11.251 11.243 11.229 11.208 11.181 11.146 11.102 11.049 10.986 10.914 10.833 10.742 10.643 10.535 10.420 10.297 10.167 10.030 11.501 11.272 11.133 11.041 10.981 10.944 10.927 10.925 10.937 10.962 10.997 11.039 11.085 11.133 11.177 11.243 11.250 11.254 11.254 11.250 11.242 11.229 11.209 11.184 11.151 11.111 11.063 11.007 10.942 10.869 10.788 10.699 10.603 10.499 10.388 10.270 11.431 11.184 11.039 10.945 10.884 10.847 10.827 10.823 10.831 10.850 10.878 10.914 10.956 11.001 11.047 11.138 11.154 11.171 11.186 11.201 11.215 11.228 11.241 11.252 11.261 11.270 11.277 11.282 11.286 11.288 11.287 11.285 11.280 11.274 11.264 11.253 11.371 11.104 10.953 10.857 10.796 10.758 10.737 10.731 10.736 10.751 10.775 10.805 10.842 10.883 10.926 11.017 11.036 11.054 11.072 11.090 11.108 11.126 11.144 11.162 11.179 11.196 11.213 11.230 11.247 11.263 11.279 11.295 11.310 11.325 11.340 11.354 11.317 11.030 10.873 10.776 10.714 10.675 10.655 10.647 10.650 10.662 10.682 10.709 10.741 10.778 10.818 10.903 10.921 10.939 10.957 10.975 10.994 11.012 11.031 11.049 11.068 11.087 11.106 11.125 11.145 11.164 11.184 11.204 11.224 11.244 11.264 11.285 11.268 10.962 10.799 10.699 10.637 10.599 10.578 10.569 10.571 10.581 10.598 10.622 10.650 10.683 10.719 10.799 10.815 10.832 10.850 10.867 10.884 10.902 10.920 10.938 10.957 10.976 10.994 11.014 11.033 11.053 11.073 11.093 11.114 11.134 11.156 11.177 11.223 10.897 10.728 10.628 10.565 10.527 10.505 10.497 10.498 10.506 10.522 10.542 10.568 10.597 10.630 10.703 10.719 10.735 10.751 10.767 10.783 10.800 10.817 10.834 10.852 10.870 10.888 10.906 10.925 10.943 10.963 10.982 11.002 11.023 11.043 11.064 11.181 10.837 10.662 10.559 10.496 10.458 10.437 10.428 10.429 10.437 10.450 10.469 10.492 10.519 10.549 10.616 10.630 10.645 10.660 10.675 10.690 10.706 10.722 10.738 10.755 10.771 10.788 10.806 10.823 10.841 10.859 10.878 10.897 10.916 10.936 10.956 11.142 10.778 10.598 10.494 10.430 10.392 10.372 10.363 10.363 10.371 10.383 10.401 10.422 10.446 10.474 10.535 10.549 10.562 10.576 10.590 10.605 10.619 10.634 10.650 10.665 10.681 10.697 10.713 10.729 10.746 10.763 10.781 10.799 10.817 10.835 10.854 99999.999 10.722 10.537 10.431 10.367 10.329 10.309 10.301 10.301 10.308 10.320 10.336 10.356 10.379 10.404 10.461 10.474 10.486 10.499 10.512 10.526 10.540 10.554 10.568 10.582 10.597 10.612 10.627 10.643 10.659 10.675 10.691 10.708 10.725 10.743 10.761 CoCl+ CoCl(1) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 2 1.000 28 1.000 3 -0.632 -0.570 -0.598 -0.678 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.632 -0.570 -0.598 -0.678 -0.796 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.632 -0.570 -0.598 -0.678 -0.796 -0.943 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.631 -0.570 -0.597 -0.678 -0.795 -0.943 -1.117 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.631 -0.569 -0.597 -0.677 -0.795 -0.942 -1.116 -1.315 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.630 -0.569 -0.596 -0.676 -0.794 -0.941 -1.115 -1.313 -1.537 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.628 -0.567 -0.595 -0.675 -0.793 -0.940 -1.113 -1.311 -1.534 -1.787 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.626 -0.566 -0.593 -0.674 -0.791 -0.938 -1.110 -1.307 -1.530 -1.781 -2.071 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.623 -0.563 -0.591 -0.671 -0.788 -0.935 -1.106 -1.303 -1.524 -1.773 -2.059 -2.397 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.618 -0.560 -0.589 -0.669 -0.785 -0.931 -1.102 -1.296 -1.516 -1.762 -2.044 -2.375 -2.778 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.613 -0.556 -0.585 -0.665 -0.781 -0.926 -1.095 -1.288 -1.505 -1.749 -2.025 -2.348 -2.735 -3.228 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.606 -0.552 -0.581 -0.660 -0.775 -0.919 -1.087 -1.278 -1.493 -1.732 -2.002 -2.314 -2.683 -3.145 -3.807 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.601 -0.548 -0.577 -0.657 -0.771 -0.914 -1.081 -1.271 -1.483 -1.719 -1.985 -2.289 -2.646 -3.086 -3.707 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.594 -0.543 -0.573 -0.652 -0.766 -0.907 -1.073 -1.260 -1.469 -1.702 -1.961 -2.255 -2.595 -3.007 -3.573 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.587 -0.538 -0.568 -0.647 -0.760 -0.901 -1.065 -1.250 -1.456 -1.685 -1.938 -2.223 -2.548 -2.935 -3.451 -3.883 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.581 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Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 2 1.000 28 1.000 23 -1.013 -1.020 -1.102 -1.224 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.013 -1.020 -1.102 -1.224 -1.376 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.013 -1.020 -1.102 -1.224 -1.376 -1.551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-3.411 -3.791 -4.304 -4.446 -4.593 -4.750 -4.928 -5.148 -5.440 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.931 -0.963 -1.050 -1.171 -1.314 -1.476 -1.654 -1.847 -2.056 -2.280 -2.520 -2.779 -3.057 -3.362 -3.715 -4.248 -4.386 -4.529 -4.678 -4.838 -5.015 -5.224 -5.478 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.925 -0.959 -1.046 -1.166 -1.309 -1.470 -1.647 -1.838 -2.044 -2.265 -2.502 -2.755 -3.025 -3.318 -3.648 -4.195 -4.329 -4.467 -4.611 -4.761 -4.921 -5.097 -5.296 -5.526 -5.792 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.918 -0.954 -1.042 -1.162 -1.305 -1.465 -1.640 -1.830 -2.034 -2.252 -2.485 -2.732 -2.996 -3.277 -3.588 -4.144 -4.275 -4.409 -4.548 -4.691 -4.842 -5.002 -5.175 -5.364 -5.576 -5.811 -6.070 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.912 -0.950 -1.038 -1.158 -1.300 -1.459 -1.633 -1.821 -2.023 -2.239 -2.468 -2.711 -2.968 -3.241 -3.535 -4.096 -4.223 -4.354 -4.488 -4.627 -4.770 -4.920 -5.079 -5.248 -5.429 -5.626 -5.838 -6.065 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.907 -0.946 -1.034 -1.154 -1.295 -1.454 -1.626 -1.813 -2.013 -2.226 -2.452 -2.691 -2.943 -3.207 -3.489 -4.051 -4.175 -4.302 -4.432 -4.566 -4.704 -4.847 -4.996 -5.152 -5.317 -5.490 -5.674 -5.869 -6.072 -6.281 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.901 -0.942 -1.031 -1.150 -1.291 -1.448 -1.620 -1.805 -2.003 -2.213 -2.436 -2.672 -2.919 -3.177 -3.449 -4.008 -4.128 -4.252 -4.379 -4.509 -4.642 -4.780 -4.922 -5.070 -5.223 -5.382 -5.548 -5.721 -5.901 -6.085 -6.272 99999.999 99999.999 99999.999 99999.999 99999.999 -0.896 -0.938 -1.027 -1.146 -1.287 -1.443 -1.614 -1.797 -1.993 -2.201 -2.422 -2.653 -2.896 -3.149 -3.413 -3.966 -4.084 -4.205 -4.328 -4.455 -4.584 -4.717 -4.854 -4.995 -5.140 -5.290 -5.444 -5.603 -5.766 -5.933 -6.102 -6.272 -6.439 99999.999 99999.999 99999.999 -0.890 -0.934 -1.024 -1.143 -1.282 -1.438 -1.607 -1.789 -1.983 -2.189 -2.407 -2.636 -2.875 -3.123 -3.381 -3.927 -4.042 -4.160 -4.281 -4.404 -4.529 -4.658 -4.791 -4.926 -5.065 -5.207 -5.353 -5.503 -5.655 -5.810 -5.966 -6.122 -6.277 -6.429 99999.999 99999.999 -0.885 -0.930 -1.020 -1.139 -1.278 -1.433 -1.601 -1.782 -1.974 -2.178 -2.393 -2.619 -2.855 -3.099 -3.353 -3.889 -4.002 -4.117 -4.235 -4.355 -4.477 -4.603 -4.731 -4.862 -4.996 -5.133 -5.272 -5.414 -5.559 -5.705 -5.852 -5.998 -6.144 -6.287 -6.426 -6.560 -0.880 -0.926 -1.017 -1.135 -1.274 -1.428 -1.595 -1.774 -1.965 -2.167 -2.380 -2.603 -2.835 -3.076 -3.326 -3.853 -3.964 -4.076 -4.191 -4.309 -4.428 -4.550 -4.675 -4.802 -4.931 -5.063 -5.198 -5.334 -5.473 -5.612 -5.752 -5.892 -6.031 -6.167 -6.300 -6.429 -0.837 -0.894 -0.987 -1.103 -1.237 -1.384 -1.542 -1.709 -1.885 -2.070 -2.262 -2.462 -2.669 -2.882 -3.100 -3.554 -3.648 -3.742 -3.838 -3.935 -4.034 -4.133 -4.234 -4.336 -4.439 -4.544 -4.650 -4.756 -4.864 -4.973 -5.082 -5.192 -5.301 -5.411 -5.521 -5.630 -0.805 -0.869 -0.962 -1.076 -1.206 -1.347 -1.498 -1.656 -1.820 -1.991 -2.168 -2.351 -2.539 -2.731 -2.927 -3.330 -3.413 -3.496 -3.580 -3.665 -3.750 -3.836 -3.923 -4.010 -4.099 -4.188 -4.278 -4.369 -4.461 -4.554 -4.647 -4.741 -4.835 -4.930 -5.026 -5.121 -0.783 -0.851 -0.943 -1.055 -1.180 -1.316 -1.460 -1.610 -1.766 -1.926 -2.091 -2.260 -2.433 -2.609 -2.788 -3.153 -3.227 -3.302 -3.377 -3.453 -3.529 -3.606 -3.683 -3.761 -3.839 -3.918 -3.997 -4.077 -4.158 -4.239 -4.321 -4.404 -4.487 -4.571 -4.655 -4.740 -0.768 -0.837 -0.928 -1.037 -1.158 -1.290 -1.428 -1.572 -1.720 -1.871 -2.026 -2.184 -2.344 -2.507 -2.672 -3.007 -3.075 -3.144 -3.212 -3.281 -3.350 -3.420 -3.489 -3.560 -3.630 -3.701 -3.773 -3.845 -3.917 -3.990 -4.064 -4.138 -4.212 -4.287 -4.363 -4.439 -0.758 -0.827 -0.916 -1.022 -1.140 -1.267 -1.400 -1.538 -1.680 -1.824 -1.970 -2.119 -2.269 -2.421 -2.574 -2.885 -2.948 -3.011 -3.074 -3.137 -3.201 -3.264 -3.328 -3.393 -3.457 -3.522 -3.588 -3.653 -3.719 -3.786 -3.853 -3.920 -3.988 -4.056 -4.125 -4.194 -0.753 -0.820 -0.907 -1.010 -1.124 -1.247 -1.376 -1.509 -1.645 -1.783 -1.922 -2.062 -2.204 -2.347 -2.490 -2.780 -2.838 -2.897 -2.956 -3.014 -3.073 -3.132 -3.192 -3.251 -3.311 -3.371 -3.432 -3.492 -3.553 -3.614 -3.676 -3.738 -3.800 -3.863 -3.926 -3.990 -0.751 -0.816 -0.900 -1.000 -1.111 -1.230 -1.355 -1.483 -1.614 -1.746 -1.880 -2.013 -2.147 -2.282 -2.417 -2.689 -2.744 -2.799 -2.854 -2.909 -2.964 -3.019 -3.074 -3.130 -3.186 -3.242 -3.298 -3.354 -3.411 -3.468 -3.525 -3.583 -3.641 -3.699 -3.758 -3.817 99999.999 -0.813 -0.896 -0.993 -1.100 -1.216 -1.336 -1.461 -1.587 -1.714 -1.842 -1.970 -2.098 -2.226 -2.354 -2.610 -2.662 -2.713 -2.765 -2.816 -2.868 -2.920 -2.972 -3.024 -3.076 -3.129 -3.182 -3.235 -3.288 -3.341 -3.395 -3.449 -3.504 -3.558 -3.613 -3.669 CoO,aq CoO(+0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 2.000 Ref: Shock07 3 -2.000 1 1.000 28 1.000 2 20.405 18.829 17.504 16.376 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.405 18.829 17.504 16.376 15.405 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.405 18.829 17.503 16.376 15.405 14.558 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.404 18.828 17.503 16.375 15.404 14.557 13.808 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.403 18.827 17.502 16.374 15.403 14.556 13.808 13.138 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.401 18.825 17.500 16.373 15.402 14.555 13.807 13.137 12.531 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.398 18.822 17.497 16.370 15.400 14.553 13.805 13.136 12.531 11.973 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.394 18.818 17.493 16.367 15.397 14.550 13.803 13.135 12.530 11.974 11.452 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.389 18.813 17.488 16.362 15.392 14.547 13.800 13.133 12.528 11.974 11.454 10.956 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.381 18.805 17.481 16.355 15.386 14.542 13.796 13.130 12.527 11.973 11.456 10.962 10.482 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.372 18.795 17.472 16.347 15.379 14.535 13.791 13.126 12.524 11.973 11.459 10.969 10.495 10.041 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.359 18.783 17.460 16.336 15.369 14.527 13.784 13.120 12.521 11.973 11.462 10.978 10.511 10.055 9.670 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.349 18.773 17.450 16.327 15.361 14.520 13.778 13.116 12.518 11.972 11.464 10.985 10.523 10.071 9.624 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.336 18.759 17.437 16.315 15.350 14.510 13.770 13.110 12.514 11.971 11.467 10.993 10.540 10.097 9.631 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.322 18.744 17.424 16.303 15.339 14.500 13.762 13.104 12.510 11.969 11.469 11.001 10.555 10.123 9.664 11.647 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.308 18.730 17.410 16.290 15.328 14.491 13.754 13.097 12.506 11.967 11.471 11.007 10.570 10.148 9.705 10.190 10.771 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.294 18.716 17.397 16.278 15.317 14.481 13.745 13.091 12.501 11.965 11.472 11.013 10.583 10.171 9.747 9.833 10.015 10.367 10.881 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.280 18.702 17.384 16.266 15.306 14.471 13.737 13.084 12.496 11.962 11.472 11.018 10.594 10.192 9.787 9.673 9.728 9.862 10.096 10.422 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.267 18.688 17.370 16.253 15.295 14.461 13.729 13.077 12.491 11.959 11.472 11.022 10.604 10.211 9.823 9.583 9.581 9.623 9.722 9.886 10.106 10.347 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.253 18.674 17.357 16.241 15.283 14.451 13.720 13.070 12.486 11.956 11.472 11.026 10.612 10.228 9.855 9.527 9.493 9.488 9.518 9.591 9.708 9.863 10.036 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.239 18.661 17.344 16.229 15.272 14.441 13.712 13.063 12.481 11.953 11.471 11.028 10.620 10.241 9.882 9.489 9.436 9.404 9.395 9.416 9.468 9.552 9.663 9.789 9.915 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.226 18.647 17.331 16.217 15.261 14.432 13.703 13.056 12.476 11.950 11.470 11.030 10.625 10.253 9.904 9.463 9.398 9.347 9.315 9.303 9.315 9.351 9.412 9.492 9.585 9.682 9.775 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.212 18.633 17.317 16.204 15.250 14.422 13.694 13.049 12.470 11.946 11.468 11.031 10.630 10.262 9.922 9.445 9.371 9.308 9.260 9.227 9.212 9.216 9.240 9.283 9.341 9.410 9.486 9.562 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.199 18.619 17.304 16.192 15.239 14.412 13.686 13.042 12.464 11.942 11.467 11.032 10.633 10.269 9.935 9.432 9.351 9.281 9.221 9.174 9.141 9.123 9.120 9.134 9.163 9.205 9.257 9.315 9.378 9.442 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.185 18.605 17.291 16.180 15.228 14.402 13.677 13.034 12.459 11.938 11.465 11.032 10.635 10.274 9.945 9.422 9.337 9.260 9.193 9.135 9.089 9.055 9.034 9.027 9.032 9.051 9.080 9.119 9.165 9.216 9.272 99999.999 99999.999 99999.999 99999.999 99999.999 20.172 18.591 17.278 16.168 15.216 14.392 13.668 13.027 12.453 11.934 11.462 11.031 10.637 10.278 9.951 9.416 9.327 9.246 9.172 9.107 9.052 9.006 8.971 8.948 8.936 8.935 8.945 8.965 8.994 9.030 9.072 9.120 9.172 99999.999 99999.999 99999.999 20.158 18.578 17.265 16.155 15.205 14.382 13.659 13.020 12.447 11.930 11.459 11.030 10.638 10.280 9.955 9.411 9.320 9.235 9.157 9.086 9.023 8.969 8.924 8.889 8.863 8.847 8.842 8.846 8.858 8.879 8.907 8.942 8.982 9.029 99999.999 99999.999 20.145 18.564 17.252 16.143 15.194 14.372 13.651 13.012 12.441 11.925 11.457 11.029 10.638 10.281 9.957 9.408 9.314 9.227 9.145 9.070 9.002 8.942 8.889 8.844 8.808 8.780 8.762 8.752 8.751 8.758 8.772 8.794 8.822 8.857 8.898 8.946 20.131 18.550 17.239 16.131 15.183 14.361 13.642 13.004 12.435 11.921 11.454 11.027 10.638 10.282 9.958 9.406 9.311 9.221 9.137 9.059 8.986 8.921 8.862 8.810 8.765 8.729 8.700 8.679 8.666 8.661 8.663 8.672 8.688 8.711 8.740 8.776 19.998 18.414 17.109 16.010 15.071 14.260 13.551 12.926 12.369 11.869 11.416 11.004 10.627 10.282 9.966 9.411 9.312 9.215 9.123 9.033 8.947 8.864 8.784 8.707 8.633 8.562 8.494 8.430 8.368 8.310 8.255 8.203 8.155 8.110 8.068 8.029 19.866 18.280 16.981 15.890 14.960 14.158 13.459 12.844 12.298 11.809 11.369 10.969 10.604 10.270 9.964 9.423 9.325 9.231 9.139 9.049 8.963 8.879 8.797 8.718 8.641 8.567 8.494 8.423 8.354 8.288 8.223 8.159 8.098 8.038 7.980 7.923 19.735 18.148 16.854 15.770 14.849 14.056 13.366 12.760 12.223 11.745 11.315 10.925 10.571 10.248 9.951 9.428 9.333 9.241 9.152 9.065 8.981 8.899 8.819 8.742 8.666 8.592 8.521 8.451 8.382 8.315 8.250 8.186 8.123 8.061 8.001 7.942 19.606 18.017 16.728 15.652 14.739 13.953 13.272 12.674 12.146 11.677 11.256 10.876 10.531 10.217 9.930 9.424 9.332 9.243 9.156 9.073 8.991 8.912 8.835 8.760 8.687 8.616 8.547 8.479 8.412 8.347 8.284 8.222 8.160 8.100 8.041 7.983 19.478 17.887 16.604 15.535 14.629 13.851 13.177 12.587 12.067 11.606 11.193 10.822 10.486 10.181 9.902 9.411 9.323 9.237 9.153 9.072 8.994 8.917 8.843 8.771 8.701 8.632 8.565 8.500 8.436 8.374 8.313 8.253 8.194 8.136 8.080 8.024 19.352 17.759 16.480 15.418 14.520 13.750 13.083 12.500 11.987 11.533 11.128 10.764 10.436 10.139 9.868 9.392 9.306 9.223 9.143 9.065 8.989 8.915 8.844 8.774 8.706 8.640 8.576 8.513 8.452 8.392 8.334 8.276 8.220 8.165 8.111 8.057 19.227 17.633 16.358 15.302 14.411 13.648 12.988 12.412 11.907 11.459 11.061 10.704 10.384 10.093 9.829 9.368 9.284 9.204 9.126 9.050 8.977 8.906 8.837 8.770 8.705 8.641 8.579 8.519 8.460 8.403 8.347 8.292 8.238 8.185 8.133 8.082 99999.999 17.508 16.237 15.187 14.303 13.547 12.894 12.325 11.825 11.384 10.992 10.642 10.328 10.044 9.787 9.338 9.257 9.179 9.104 9.031 8.960 8.891 8.824 8.760 8.697 8.635 8.576 8.518 8.461 8.406 8.352 8.299 8.247 8.197 8.147 8.098 CoOH+2 CoOH(+2) P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 5 0.125 1 1.000 28 0.500 2 0.125 4 -0.125 6 32.603 30.011 27.821 25.950 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.603 30.011 27.821 25.950 24.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.603 30.011 27.821 25.950 24.334 22.924 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.603 30.011 27.821 25.949 24.333 22.924 21.685 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.603 30.010 27.820 25.949 24.333 22.924 21.684 20.586 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.602 30.009 27.819 25.948 24.332 22.923 21.684 20.586 19.605 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.601 30.008 27.818 25.947 24.331 22.922 21.683 20.584 19.604 18.723 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.600 30.006 27.816 25.945 24.329 22.920 21.681 20.583 19.603 18.722 17.925 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.598 30.004 27.813 25.942 24.326 22.918 21.679 20.581 19.601 18.720 17.924 17.197 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.595 30.001 27.810 25.939 24.323 22.914 21.676 20.578 19.598 18.718 17.922 17.196 16.528 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.592 29.996 27.805 25.934 24.319 22.910 21.672 20.574 19.595 18.715 17.919 17.194 16.528 15.907 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.587 29.991 27.800 25.929 24.313 22.905 21.667 20.570 19.591 18.711 17.916 17.192 16.528 15.910 15.316 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.584 29.986 27.795 25.924 24.309 22.901 21.663 20.566 19.587 18.708 17.913 17.190 16.527 15.912 15.326 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.579 29.980 27.789 25.918 24.303 22.895 21.657 20.560 19.582 18.703 17.909 17.187 16.525 15.913 15.336 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.574 29.974 27.782 25.911 24.296 22.889 21.651 20.555 19.577 18.699 17.905 17.184 16.524 15.914 15.342 14.229 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.569 29.968 27.776 25.905 24.290 22.883 21.646 20.550 19.572 18.694 17.901 17.181 16.522 15.914 15.346 14.323 14.095 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.565 29.962 27.770 25.899 24.284 22.877 21.640 20.544 19.567 18.690 17.897 17.177 16.519 15.914 15.349 14.345 14.145 13.936 13.710 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.560 29.956 27.763 25.892 24.278 22.871 21.634 20.539 19.562 18.685 17.893 17.174 16.517 15.913 15.352 14.356 14.164 13.972 13.776 13.571 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.555 29.950 27.757 25.886 24.272 22.865 21.629 20.534 19.557 18.680 17.889 17.170 16.514 15.911 15.353 14.362 14.175 13.989 13.804 13.617 13.426 13.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.550 29.944 27.751 25.880 24.266 22.859 21.623 20.528 19.552 18.676 17.885 17.167 16.511 15.910 15.353 14.366 14.181 13.999 13.819 13.640 13.461 13.281 13.098 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.546 29.938 27.744 25.874 24.260 22.853 21.618 20.523 19.547 18.671 17.880 17.163 16.508 15.908 15.353 14.368 14.185 14.005 13.829 13.654 13.482 13.310 13.138 12.965 12.793 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.541 29.932 27.738 25.867 24.254 22.848 21.612 20.518 19.542 18.666 17.876 17.159 16.505 15.906 15.353 14.369 14.187 14.009 13.835 13.663 13.494 13.327 13.162 12.997 12.833 12.670 12.509 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.537 29.926 27.732 25.861 24.247 22.842 21.606 20.512 19.537 18.662 17.872 17.155 16.502 15.903 15.351 14.370 14.189 14.012 13.839 13.669 13.503 13.339 13.178 13.018 12.860 12.703 12.548 12.394 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.532 29.920 27.726 25.855 24.241 22.836 21.601 20.507 19.532 18.657 17.867 17.151 16.498 15.900 15.350 14.370 14.189 14.013 13.842 13.674 13.509 13.348 13.189 13.032 12.878 12.726 12.575 12.427 12.280 12.137 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.527 29.914 27.719 25.849 24.235 22.830 21.595 20.502 19.527 18.652 17.863 17.147 16.495 15.898 15.348 14.369 14.189 14.014 13.844 13.677 13.513 13.354 13.197 13.043 12.891 12.742 12.595 12.450 12.307 12.168 12.030 99999.999 99999.999 99999.999 99999.999 99999.999 32.523 29.908 27.713 25.842 24.229 22.824 21.590 20.496 19.522 18.647 17.859 17.143 16.491 15.894 15.346 14.368 14.189 14.015 13.845 13.679 13.516 13.358 13.202 13.050 12.901 12.754 12.609 12.467 12.328 12.191 12.056 11.924 11.796 99999.999 99999.999 99999.999 32.518 29.902 27.707 25.836 24.223 22.818 21.584 20.491 19.517 18.643 17.854 17.139 16.488 15.891 15.343 14.367 14.189 14.015 13.845 13.680 13.519 13.361 13.207 13.056 12.908 12.763 12.620 12.480 12.343 12.208 12.076 11.947 11.820 11.696 99999.999 99999.999 32.514 29.896 27.701 25.830 24.217 22.813 21.578 20.486 19.512 18.638 17.850 17.135 16.484 15.888 15.340 14.366 14.188 14.014 13.845 13.680 13.520 13.363 13.210 13.060 12.913 12.769 12.628 12.490 12.355 12.222 12.092 11.964 11.839 11.717 11.598 11.481 32.509 29.891 27.695 25.824 24.211 22.807 21.573 20.481 19.507 18.633 17.845 17.131 16.480 15.885 15.337 14.364 14.186 14.013 13.845 13.681 13.521 13.364 13.212 13.063 12.917 12.775 12.635 12.498 12.364 12.233 12.104 11.978 11.854 11.734 11.616 11.500 32.465 29.833 27.634 25.763 24.152 22.749 21.518 20.428 19.457 18.586 17.801 17.089 16.441 15.849 15.306 14.342 14.166 13.995 13.830 13.669 13.512 13.359 13.211 13.066 12.925 12.788 12.654 12.523 12.395 12.271 12.149 12.030 11.913 11.800 11.688 11.580 32.423 29.777 27.574 25.704 24.094 22.693 21.464 20.376 19.407 18.538 17.756 17.046 16.401 15.812 15.271 14.313 14.139 13.969 13.805 13.645 13.490 13.340 13.193 13.050 12.911 12.776 12.644 12.515 12.390 12.267 12.148 12.031 11.917 11.806 11.698 11.591 32.382 29.723 27.516 25.646 24.037 22.638 21.410 20.324 19.358 18.491 17.711 17.004 16.361 15.773 15.235 14.281 14.108 13.940 13.777 13.618 13.464 13.314 13.169 13.027 12.889 12.755 12.625 12.497 12.373 12.252 12.134 12.019 11.906 11.797 11.690 11.585 32.342 29.669 27.459 25.588 23.980 22.583 21.357 20.274 19.309 18.444 17.666 16.961 16.320 15.735 15.198 14.249 14.076 13.909 13.746 13.589 13.436 13.287 13.142 13.001 12.864 12.731 12.601 12.475 12.352 12.232 12.115 12.000 11.889 11.780 11.674 11.570 32.304 29.617 27.403 25.532 23.925 22.529 21.305 20.223 19.261 18.398 17.621 16.918 16.279 15.696 15.161 14.215 14.043 13.877 13.715 13.558 13.406 13.258 13.114 12.974 12.837 12.705 12.576 12.450 12.328 12.208 12.092 11.979 11.868 11.760 11.654 11.552 32.266 29.565 27.348 25.476 23.870 22.476 21.254 20.174 19.213 18.352 17.577 16.876 16.239 15.657 15.124 14.181 14.010 13.844 13.683 13.527 13.375 13.227 13.084 12.945 12.809 12.677 12.549 12.424 12.302 12.183 12.068 11.955 11.845 11.737 11.633 11.530 32.229 29.514 27.293 25.421 23.816 22.423 21.203 20.125 19.166 18.307 17.534 16.834 16.198 15.618 15.087 14.147 13.977 13.811 13.651 13.495 13.344 13.197 13.054 12.915 12.780 12.649 12.521 12.397 12.275 12.157 12.042 11.930 11.820 11.713 11.609 11.507 99999.999 29.465 27.239 25.367 23.763 22.371 21.153 20.076 19.119 18.262 17.490 16.792 16.158 15.580 15.050 14.113 13.943 13.778 13.618 13.463 13.312 13.166 13.024 12.885 12.751 12.620 12.493 12.369 12.248 12.130 12.016 11.904 11.795 11.689 11.585 11.483 CoOH+2 CoOH(+2) P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 3 1.000 28 0.500 2 0.250 31 13.591 12.722 12.016 11.436 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.591 12.722 12.016 11.436 10.953 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.591 12.721 12.016 11.435 10.952 10.547 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.590 12.721 12.015 11.435 10.952 10.547 10.205 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.589 12.719 12.014 11.433 10.951 10.546 10.204 9.914 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.587 12.718 12.012 11.432 10.949 10.544 10.202 9.913 9.667 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.585 12.715 12.009 11.429 10.946 10.541 10.200 9.910 9.664 9.455 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.581 12.711 12.006 11.425 10.943 10.538 10.196 9.907 9.661 9.452 9.276 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.576 12.706 12.000 11.420 10.938 10.533 10.192 9.902 9.656 9.448 9.271 9.123 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.569 12.698 11.993 11.413 10.931 10.527 10.185 9.896 9.650 9.441 9.265 9.117 8.997 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.561 12.689 11.984 11.404 10.922 10.518 10.177 9.888 9.642 9.433 9.257 9.108 8.987 8.897 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.549 12.677 11.972 11.392 10.911 10.507 10.166 9.878 9.632 9.423 9.246 9.097 8.975 8.880 8.832 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.541 12.668 11.963 11.383 10.902 10.499 10.158 9.870 9.624 9.415 9.238 9.089 8.966 8.869 8.809 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.528 12.654 11.949 11.370 10.890 10.487 10.146 9.858 9.613 9.404 9.227 9.077 8.953 8.854 8.785 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.516 12.641 11.936 11.358 10.877 10.475 10.135 9.847 9.602 9.393 9.216 9.066 8.941 8.840 8.765 8.894 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.503 12.628 11.923 11.345 10.865 10.463 10.123 9.835 9.591 9.382 9.205 9.055 8.929 8.826 8.748 8.720 8.782 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.491 12.614 11.910 11.332 10.852 10.451 10.112 9.824 9.580 9.371 9.194 9.044 8.917 8.814 8.733 8.664 8.681 8.720 8.789 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.479 12.601 11.897 11.319 10.840 10.439 10.100 9.813 9.569 9.360 9.183 9.033 8.906 8.801 8.718 8.630 8.632 8.645 8.673 8.719 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.466 12.588 11.884 11.307 10.828 10.427 10.089 9.802 9.558 9.350 9.172 9.022 8.895 8.789 8.705 8.604 8.599 8.600 8.611 8.633 8.666 8.709 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.454 12.575 11.871 11.294 10.816 10.415 10.077 9.791 9.547 9.339 9.162 9.011 8.884 8.778 8.692 8.583 8.573 8.569 8.570 8.580 8.597 8.622 8.655 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.442 12.562 11.858 11.282 10.804 10.404 10.066 9.780 9.536 9.329 9.151 9.000 8.873 8.766 8.679 8.564 8.551 8.543 8.540 8.542 8.550 8.564 8.584 8.610 8.641 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.430 12.549 11.845 11.269 10.792 10.392 10.055 9.769 9.526 9.318 9.141 8.990 8.862 8.755 8.667 8.547 8.533 8.522 8.515 8.512 8.514 8.521 8.533 8.550 8.571 8.596 8.623 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.418 12.536 11.832 11.257 10.780 10.380 10.044 9.758 9.515 9.308 9.131 8.980 8.852 8.744 8.655 8.531 8.515 8.503 8.493 8.487 8.485 8.488 8.494 8.504 8.519 8.537 8.557 8.580 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.406 12.523 11.819 11.244 10.768 10.369 10.033 9.747 9.504 9.297 9.120 8.969 8.841 8.733 8.644 8.517 8.500 8.486 8.474 8.466 8.461 8.460 8.462 8.468 8.477 8.489 8.505 8.523 8.542 8.563 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.394 12.510 11.807 11.232 10.756 10.357 10.021 9.737 9.494 9.287 9.110 8.959 8.831 8.723 8.633 8.503 8.485 8.470 8.457 8.447 8.440 8.436 8.435 8.438 8.443 8.451 8.462 8.476 8.491 8.508 8.526 99999.999 99999.999 99999.999 99999.999 99999.999 13.382 12.498 11.794 11.220 10.744 10.346 10.010 9.726 9.484 9.277 9.100 8.949 8.821 8.712 8.622 8.490 8.471 8.455 8.441 8.430 8.421 8.415 8.412 8.412 8.414 8.419 8.427 8.436 8.448 8.462 8.477 8.493 8.510 99999.999 99999.999 99999.999 13.370 12.485 11.782 11.208 10.732 10.335 9.999 9.715 9.473 9.267 9.090 8.939 8.811 8.702 8.611 8.478 8.458 8.441 8.426 8.414 8.404 8.397 8.392 8.389 8.389 8.392 8.396 8.403 8.412 8.423 8.435 8.449 8.463 8.478 99999.999 99999.999 13.358 12.472 11.769 11.195 10.721 10.323 9.988 9.705 9.463 9.256 9.080 8.929 8.801 8.692 8.601 8.466 8.446 8.428 8.412 8.399 8.388 8.379 8.373 8.369 8.367 8.367 8.370 8.374 8.381 8.389 8.399 8.410 8.422 8.435 8.449 8.463 13.347 12.460 11.756 11.183 10.709 10.312 9.978 9.694 9.453 9.246 9.070 8.919 8.791 8.682 8.591 8.454 8.433 8.415 8.399 8.385 8.373 8.364 8.356 8.350 8.347 8.346 8.346 8.349 8.353 8.360 8.367 8.376 8.386 8.398 8.409 8.422 13.231 12.336 11.634 11.064 10.594 10.201 9.871 9.591 9.352 9.148 8.974 8.824 8.696 8.587 8.494 8.351 8.328 8.307 8.287 8.270 8.254 8.239 8.227 8.215 8.205 8.196 8.189 8.183 8.178 8.174 8.172 8.170 8.170 8.170 8.172 8.174 13.118 12.215 11.515 10.949 10.483 10.094 9.768 9.491 9.255 9.054 8.882 8.734 8.607 8.499 8.406 8.261 8.237 8.215 8.195 8.176 8.159 8.143 8.129 8.116 8.104 8.093 8.083 8.075 8.067 8.061 8.055 8.050 8.047 8.044 8.042 8.040 13.008 12.098 11.399 10.836 10.375 9.990 9.667 9.394 9.162 8.963 8.793 8.648 8.523 8.415 8.323 8.178 8.155 8.133 8.112 8.093 8.075 8.059 8.044 8.030 8.017 8.006 7.995 7.986 7.977 7.969 7.963 7.957 7.952 7.947 7.944 7.941 12.900 11.983 11.285 10.726 10.269 9.888 9.569 9.300 9.071 8.875 8.708 8.564 8.441 8.335 8.244 8.100 8.077 8.055 8.035 8.016 7.998 7.981 7.966 7.952 7.939 7.927 7.916 7.906 7.897 7.889 7.882 7.876 7.870 7.865 7.861 7.857 12.793 11.870 11.173 10.618 10.165 9.789 9.474 9.208 8.982 8.789 8.624 8.483 8.361 8.257 8.168 8.026 8.003 7.981 7.961 7.942 7.925 7.908 7.893 7.879 7.866 7.854 7.843 7.833 7.824 7.816 7.809 7.802 7.796 7.791 7.786 7.783 12.689 11.759 11.064 10.512 10.063 9.691 9.380 9.117 8.894 8.704 8.542 8.403 8.284 8.181 8.094 7.954 7.932 7.910 7.890 7.872 7.855 7.838 7.824 7.810 7.797 7.785 7.774 7.764 7.755 7.747 7.740 7.733 7.727 7.722 7.718 7.714 12.585 11.649 10.956 10.408 9.962 9.594 9.287 9.028 8.809 8.622 8.462 8.325 8.208 8.107 8.021 7.885 7.863 7.842 7.822 7.804 7.787 7.771 7.757 7.743 7.731 7.719 7.708 7.699 7.690 7.682 7.675 7.668 7.662 7.657 7.653 7.649 99999.999 11.541 10.849 10.305 9.863 9.499 9.196 8.940 8.724 8.540 8.383 8.249 8.134 8.035 7.951 7.817 7.796 7.775 7.756 7.738 7.722 7.706 7.692 7.679 7.667 7.655 7.645 7.636 7.627 7.619 7.612 7.606 7.600 7.595 7.591 7.587 HCoO2- HCoO2(-1) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 3.000 Ref: Shock07 3 -3.000 1 1.000 28 2.000 2 33.735 31.501 29.602 27.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.735 31.501 29.602 27.978 26.580 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.734 31.501 29.602 27.978 26.579 25.365 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.733 31.499 29.600 27.977 26.578 25.364 24.305 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.731 31.497 29.598 27.975 26.576 25.362 24.303 23.375 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.727 31.494 29.595 27.972 26.573 25.359 24.300 23.372 22.556 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.722 31.489 29.590 27.967 26.568 25.355 24.296 23.367 22.552 21.836 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.714 31.481 29.583 27.960 26.562 25.348 24.289 23.361 22.545 21.829 21.204 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.703 31.471 29.573 27.951 26.553 25.339 24.280 23.352 22.536 21.819 21.193 20.655 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.689 31.458 29.560 27.938 26.540 25.327 24.268 23.340 22.523 21.805 21.178 20.637 20.193 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.671 31.440 29.544 27.922 26.525 25.312 24.253 23.324 22.507 21.788 21.159 20.615 20.162 19.837 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.647 31.417 29.522 27.901 26.504 25.292 24.233 23.304 22.486 21.766 21.135 20.587 20.125 19.773 19.665 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.629 31.399 29.505 27.885 26.488 25.276 24.218 23.288 22.470 21.750 21.116 20.566 20.098 19.731 19.537 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.602 31.374 29.480 27.861 26.466 25.254 24.195 23.266 22.448 21.726 21.091 20.536 20.062 19.678 19.423 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.576 31.349 29.456 27.838 26.443 25.232 24.173 23.244 22.425 21.702 21.065 20.508 20.028 19.631 19.341 20.671 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.549 31.323 29.432 27.814 26.420 25.210 24.152 23.222 22.403 21.679 21.041 20.480 19.996 19.589 19.275 19.440 19.938 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.523 31.298 29.408 27.791 26.398 25.188 24.130 23.200 22.381 21.656 21.016 20.454 19.965 19.550 19.219 19.085 19.250 19.573 20.098 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.497 31.273 29.384 27.768 26.375 25.166 24.108 23.179 22.359 21.633 20.992 20.428 19.935 19.514 19.170 18.888 18.944 19.076 19.309 19.660 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.471 31.248 29.360 27.745 26.353 25.144 24.087 23.157 22.337 21.611 20.969 20.402 19.906 19.480 19.126 18.752 18.756 18.805 18.912 19.090 19.344 19.664 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.445 31.223 29.336 27.722 26.331 25.122 24.065 23.136 22.315 21.589 20.945 20.377 19.878 19.447 19.085 18.648 18.621 18.626 18.668 18.756 18.896 19.089 19.328 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.419 31.198 29.312 27.699 26.308 25.100 24.044 23.114 22.294 21.567 20.922 20.352 19.851 19.416 19.047 18.562 18.516 18.492 18.496 18.532 18.605 18.717 18.868 19.054 19.264 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.393 31.173 29.288 27.676 26.286 25.079 24.022 23.093 22.272 21.545 20.900 20.328 19.825 19.385 19.010 18.490 18.429 18.386 18.365 18.368 18.398 18.458 18.549 18.670 18.817 18.984 19.161 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.367 31.148 29.264 27.653 26.264 25.057 24.001 23.072 22.251 21.523 20.877 20.304 19.799 19.356 18.976 18.426 18.354 18.298 18.259 18.240 18.241 18.266 18.316 18.390 18.488 18.606 18.740 18.884 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.342 31.123 29.240 27.630 26.242 25.036 23.980 23.051 22.230 21.502 20.855 20.281 19.773 19.328 18.943 18.369 18.289 18.222 18.170 18.134 18.116 18.116 18.136 18.177 18.238 18.317 18.413 18.522 18.639 18.761 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.316 31.098 29.217 27.608 26.220 25.014 23.959 23.030 22.209 21.481 20.833 20.258 19.748 19.300 18.911 18.317 18.230 18.155 18.093 18.045 18.011 17.993 17.992 18.008 18.041 18.090 18.155 18.234 18.322 18.419 18.520 99999.999 99999.999 99999.999 99999.999 99999.999 33.291 31.074 29.193 27.585 26.198 24.993 23.938 23.010 22.188 21.460 20.811 20.235 19.724 19.273 18.880 18.270 18.177 18.096 18.025 17.967 17.922 17.890 17.873 17.870 17.881 17.908 17.948 18.001 18.065 18.137 18.217 18.300 18.386 99999.999 99999.999 99999.999 33.265 31.049 29.169 27.562 26.176 24.972 23.917 22.989 22.168 21.439 20.790 20.213 19.700 19.246 18.850 18.225 18.128 18.041 17.965 17.899 17.844 17.801 17.771 17.753 17.748 17.756 17.777 17.809 17.852 17.904 17.964 18.029 18.098 18.169 99999.999 99999.999 33.240 31.024 29.146 27.540 26.154 24.950 23.896 22.968 22.147 21.418 20.769 20.190 19.676 19.221 18.821 18.184 18.083 17.991 17.909 17.837 17.775 17.723 17.683 17.653 17.635 17.629 17.633 17.649 17.674 17.708 17.750 17.799 17.852 17.909 17.968 18.028 33.214 31.000 29.122 27.517 26.133 24.929 23.876 22.948 22.127 21.397 20.747 20.168 19.653 19.195 18.793 18.145 18.040 17.945 17.858 17.780 17.712 17.653 17.605 17.566 17.537 17.519 17.510 17.512 17.523 17.542 17.569 17.603 17.642 17.685 17.732 17.781 32.965 30.758 28.890 27.294 25.918 24.721 23.672 22.747 21.927 21.197 20.545 19.960 19.435 18.965 18.543 17.832 17.709 17.592 17.482 17.377 17.278 17.185 17.098 17.016 16.939 16.868 16.802 16.742 16.686 16.636 16.590 16.548 16.511 16.478 16.449 16.424 32.721 30.520 28.663 27.076 25.708 24.517 23.474 22.553 21.735 21.006 20.354 19.767 19.238 18.761 18.331 17.591 17.460 17.335 17.215 17.101 16.991 16.886 16.785 16.689 16.597 16.510 16.427 16.347 16.272 16.200 16.132 16.067 16.006 15.948 15.893 15.841 32.482 30.288 28.440 26.862 25.502 24.318 23.280 22.364 21.550 20.823 20.171 19.584 19.054 18.574 18.138 17.384 17.249 17.120 16.995 16.875 16.760 16.649 16.542 16.440 16.341 16.246 16.154 16.067 15.982 15.901 15.823 15.748 15.676 15.607 15.540 15.477 32.248 30.059 28.220 26.652 25.300 24.124 23.091 22.180 21.369 20.645 19.995 19.409 18.879 18.398 17.960 17.197 17.060 16.928 16.801 16.678 16.560 16.446 16.335 16.229 16.126 16.027 15.931 15.838 15.749 15.663 15.580 15.499 15.422 15.347 15.274 15.204 32.017 29.834 28.004 26.445 25.102 23.932 22.906 21.999 21.193 20.473 19.825 19.240 18.711 18.230 17.791 17.024 16.886 16.752 16.624 16.499 16.379 16.263 16.150 16.041 15.936 15.834 15.736 15.641 15.549 15.459 15.373 15.289 15.208 15.130 15.054 14.980 31.789 29.612 27.792 26.242 24.906 23.744 22.724 21.823 21.021 20.304 19.659 19.077 18.549 18.068 17.629 16.860 16.722 16.588 16.458 16.333 16.211 16.094 15.980 15.870 15.763 15.660 15.560 15.463 15.369 15.278 15.190 15.104 15.021 14.940 14.862 14.786 31.564 29.393 27.582 26.041 24.713 23.558 22.545 21.649 20.852 20.139 19.497 18.917 18.391 17.912 17.474 16.705 16.566 16.431 16.301 16.175 16.053 15.935 15.821 15.710 15.602 15.498 15.397 15.299 15.204 15.112 15.022 14.935 14.851 14.769 14.689 14.612 99999.999 29.177 27.374 25.842 24.523 23.376 22.369 21.478 20.686 19.977 19.339 18.762 18.238 17.760 17.324 16.555 16.416 16.282 16.152 16.026 15.903 15.785 15.670 15.559 15.451 15.346 15.244 15.146 15.050 14.957 14.867 14.779 14.694 14.611 14.530 14.452 CoO2-2 CoO2(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 4.000 Ref: Shock07 3 -4.000 1 1.000 28 2.000 2 49.817 46.308 43.427 41.030 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.817 46.308 43.427 41.030 39.017 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.816 46.307 43.426 41.029 39.016 37.314 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.814 46.306 43.425 41.028 39.015 37.313 35.869 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.812 46.303 43.423 41.026 39.012 37.310 35.866 34.642 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.808 46.299 43.419 41.022 39.008 37.306 35.862 34.637 33.602 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.801 46.294 43.413 41.016 39.003 37.300 35.856 34.631 33.595 32.731 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.793 46.285 43.405 41.008 38.995 37.292 35.848 34.621 33.585 32.718 32.015 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.781 46.273 43.394 40.997 38.983 37.281 35.836 34.609 33.570 32.702 31.994 31.454 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.764 46.258 43.379 40.982 38.969 37.266 35.820 34.591 33.551 32.680 31.968 31.418 31.057 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.743 46.238 43.359 40.963 38.949 37.246 35.799 34.569 33.527 32.652 31.933 31.373 30.990 30.862 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.716 46.211 43.333 40.938 38.924 37.220 35.772 34.541 33.495 32.616 31.890 31.317 30.910 30.722 31.021 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.695 46.191 43.314 40.918 38.905 37.200 35.752 34.519 33.472 32.589 31.858 31.276 30.852 30.629 30.777 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.665 46.162 43.286 40.891 38.877 37.172 35.723 34.488 33.438 32.551 31.813 31.219 30.774 30.509 30.532 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.635 46.133 43.258 40.863 38.850 37.144 35.694 34.457 33.404 32.513 31.769 31.165 30.702 30.403 30.342 32.658 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.605 46.105 43.230 40.836 38.822 37.117 35.665 34.427 33.372 32.477 31.727 31.113 30.635 30.307 30.184 30.776 31.648 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.575 46.076 43.202 40.809 38.795 37.089 35.637 34.397 33.339 32.441 31.686 31.063 30.571 30.219 30.047 30.225 30.582 31.197 32.189 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.546 46.047 43.174 40.781 38.768 37.062 35.608 34.367 33.308 32.406 31.646 31.016 30.512 30.138 29.926 29.905 30.098 30.410 30.892 31.594 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.516 46.019 43.147 40.754 38.741 37.035 35.581 34.338 33.276 32.372 31.607 30.970 30.455 30.063 29.817 29.676 29.789 29.973 30.251 30.650 31.193 31.882 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.487 45.991 43.119 40.728 38.715 37.008 35.553 34.309 33.246 32.338 31.569 30.926 30.401 29.994 29.719 29.496 29.560 29.675 29.850 30.101 30.442 30.884 31.427 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.458 45.963 43.092 40.701 38.688 36.981 35.525 34.281 33.215 32.305 31.532 30.883 30.349 29.929 29.630 29.345 29.378 29.447 29.562 29.728 29.957 30.255 30.627 31.071 31.577 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.429 45.934 43.065 40.674 38.662 36.954 35.498 34.252 33.185 32.272 31.496 30.841 30.300 29.867 29.549 29.215 29.224 29.263 29.337 29.450 29.608 29.817 30.081 30.402 30.776 31.195 31.648 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.400 45.907 43.038 40.648 38.635 36.928 35.471 34.224 33.155 32.240 31.460 30.801 30.253 29.810 29.474 29.100 29.091 29.107 29.152 29.228 29.339 29.489 29.682 29.918 30.198 30.519 30.874 31.255 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.371 45.879 43.011 40.621 38.609 36.902 35.444 34.196 33.126 32.209 31.426 30.762 30.207 29.755 29.405 28.996 28.973 28.972 28.994 29.043 29.121 29.229 29.372 29.549 29.762 30.010 30.290 30.595 30.920 31.258 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.342 45.851 42.984 40.595 38.583 36.876 35.418 34.169 33.097 32.178 31.392 30.724 30.164 29.704 29.341 28.902 28.867 28.851 28.857 28.885 28.937 29.015 29.120 29.255 29.419 29.613 29.834 30.079 30.346 30.627 30.918 99999.999 99999.999 99999.999 99999.999 99999.999 49.314 45.823 42.957 40.569 38.557 36.850 35.391 34.142 33.068 32.147 31.358 30.687 30.122 29.655 29.282 28.814 28.769 28.742 28.734 28.745 28.777 28.832 28.910 29.012 29.139 29.292 29.468 29.666 29.884 30.118 30.364 30.618 30.874 99999.999 99999.999 99999.999 49.286 45.796 42.931 40.543 38.531 36.824 35.365 34.114 33.040 32.117 31.325 30.651 30.081 29.608 29.226 28.733 28.680 28.643 28.623 28.620 28.637 28.673 28.729 28.806 28.905 29.025 29.166 29.327 29.506 29.701 29.908 30.125 30.347 30.572 99999.999 99999.999 49.257 45.768 42.904 40.517 38.506 36.798 35.339 34.088 33.012 32.087 31.293 30.615 30.041 29.562 29.173 28.656 28.596 28.551 28.521 28.508 28.511 28.531 28.570 28.627 28.703 28.798 28.911 29.042 29.190 29.352 29.527 29.712 29.904 30.101 30.299 30.495 49.229 45.741 42.878 40.491 38.480 36.772 35.313 34.061 32.984 32.057 31.261 30.580 30.002 29.519 29.123 28.584 28.518 28.465 28.427 28.404 28.396 28.404 28.428 28.469 28.526 28.601 28.691 28.798 28.920 29.056 29.203 29.361 29.527 29.699 29.873 30.049 48.955 45.473 42.618 40.237 38.231 36.524 35.063 33.805 32.719 31.779 30.965 30.262 29.655 29.134 28.691 28.015 27.911 27.817 27.732 27.657 27.592 27.536 27.489 27.451 27.422 27.401 27.389 27.385 27.390 27.402 27.421 27.448 27.481 27.520 27.565 27.615 48.691 45.214 42.366 39.992 37.990 36.286 34.824 33.564 32.473 31.524 30.699 29.981 29.355 28.812 28.342 27.594 27.472 27.358 27.253 27.156 27.066 26.984 26.910 26.842 26.782 26.728 26.681 26.641 26.606 26.578 26.555 26.537 26.525 26.518 26.516 26.519 48.435 44.962 42.121 39.755 37.758 36.056 34.596 33.335 32.241 31.287 30.454 29.726 29.088 28.529 28.041 27.247 27.114 26.989 26.872 26.762 26.658 26.562 26.472 26.389 26.312 26.241 26.176 26.116 26.062 26.013 25.969 25.930 25.895 25.865 25.840 25.818 48.186 44.716 41.883 39.523 37.531 35.834 34.376 33.115 32.020 31.063 30.225 29.489 28.842 28.273 27.773 26.947 26.807 26.674 26.548 26.430 26.318 26.212 26.113 26.019 25.932 25.850 25.773 25.702 25.635 25.574 25.517 25.465 25.417 25.373 25.333 25.298 47.943 44.476 41.650 39.297 37.311 35.618 34.163 32.904 31.808 30.849 30.008 29.268 28.614 28.037 27.528 26.679 26.534 26.395 26.264 26.139 26.021 25.909 25.803 25.702 25.607 25.518 25.434 25.354 25.280 25.210 25.144 25.083 25.026 24.973 24.924 24.879 47.705 44.241 41.422 39.076 37.096 35.408 33.956 32.699 31.603 30.644 29.801 29.057 28.400 27.817 27.300 26.435 26.285 26.143 26.007 25.878 25.755 25.638 25.527 25.422 25.322 25.227 25.137 25.052 24.972 24.896 24.824 24.757 24.693 24.634 24.578 24.527 47.471 44.010 41.198 38.859 36.885 35.202 33.754 32.499 31.405 30.447 29.602 28.857 28.196 27.609 27.087 26.209 26.056 25.911 25.772 25.640 25.513 25.393 25.278 25.169 25.065 24.966 24.872 24.782 24.698 24.617 24.541 24.469 24.401 24.337 24.277 24.220 99999.999 43.782 40.978 38.647 36.679 35.001 33.557 32.305 31.213 30.255 29.411 28.664 28.001 27.412 26.886 25.998 25.843 25.695 25.554 25.419 25.290 25.167 25.049 24.937 24.830 24.728 24.630 24.538 24.450 24.366 24.287 24.211 24.140 24.072 24.008 23.948 Cu+2 Cu(+2) P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 5 1.125 1 0.125 4 1.000 16 -0.500 2 -0.125 6 -2.074 -1.481 -0.975 -0.542 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.074 -1.481 -0.975 -0.542 -0.165 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.075 -1.481 -0.976 -0.542 -0.165 0.167 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.075 -1.481 -0.976 -0.542 -0.165 0.166 0.463 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.075 -1.482 -0.976 -0.543 -0.166 0.166 0.462 0.731 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.076 -1.483 -0.977 -0.544 -0.167 0.165 0.461 0.730 0.976 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.077 -1.484 -0.978 -0.545 -0.168 0.163 0.460 0.728 0.974 1.204 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.079 -1.485 -0.980 -0.547 -0.170 0.162 0.458 0.726 0.972 1.201 1.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.081 -1.488 -0.983 -0.549 -0.173 0.159 0.455 0.723 0.968 1.197 1.414 1.624 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.084 -1.491 -0.986 -0.553 -0.176 0.155 0.451 0.718 0.964 1.192 1.408 1.617 1.817 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.087 -1.495 -0.990 -0.557 -0.181 0.151 0.446 0.713 0.958 1.185 1.400 1.607 1.807 1.980 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.092 -1.500 -0.996 -0.562 -0.186 0.145 0.440 0.706 0.950 1.176 1.390 1.594 1.792 1.975 2.059 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.095 -1.504 -1.000 -0.567 -0.191 0.140 0.435 0.701 0.944 1.170 1.382 1.585 1.780 1.965 2.118 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.100 -1.510 -1.006 -0.573 -0.197 0.134 0.428 0.694 0.936 1.161 1.371 1.571 1.763 1.947 2.132 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.105 -1.516 -1.011 -0.579 -0.203 0.127 0.421 0.687 0.928 1.152 1.361 1.558 1.747 1.927 2.117 -0.097 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.110 -1.521 -1.017 -0.584 -0.209 0.121 0.415 0.680 0.921 1.143 1.351 1.546 1.730 1.907 2.093 1.322 0.681 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.114 -1.526 -1.023 -0.590 -0.215 0.115 0.409 0.673 0.913 1.135 1.341 1.534 1.715 1.887 2.065 1.668 1.420 1.001 0.398 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.119 -1.532 -1.028 -0.596 -0.220 0.109 0.402 0.666 0.906 1.127 1.331 1.522 1.700 1.867 2.037 1.825 1.702 1.500 1.196 0.788 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.123 -1.537 -1.034 -0.601 -0.226 0.103 0.396 0.659 0.899 1.119 1.322 1.511 1.687 1.849 2.010 1.914 1.847 1.737 1.571 1.337 1.038 0.702 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.128 -1.542 -1.039 -0.607 -0.232 0.098 0.390 0.653 0.892 1.111 1.313 1.501 1.674 1.832 1.985 1.971 1.935 1.872 1.775 1.635 1.448 1.219 0.960 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.132 -1.547 -1.044 -0.612 -0.237 0.092 0.384 0.646 0.885 1.103 1.305 1.491 1.662 1.817 1.963 2.008 1.992 1.957 1.899 1.812 1.694 1.541 1.359 1.154 0.941 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.136 -1.552 -1.050 -0.617 -0.243 0.086 0.378 0.640 0.878 1.096 1.297 1.481 1.650 1.804 1.943 2.033 2.031 2.014 1.981 1.927 1.851 1.749 1.623 1.473 1.307 1.131 0.955 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.140 -1.557 -1.055 -0.623 -0.248 0.081 0.372 0.634 0.871 1.089 1.289 1.472 1.640 1.791 1.927 2.051 2.058 2.054 2.037 2.005 1.957 1.889 1.802 1.695 1.570 1.432 1.285 1.134 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.144 -1.562 -1.060 -0.628 -0.253 0.075 0.367 0.628 0.865 1.082 1.281 1.464 1.630 1.780 1.913 2.063 2.077 2.082 2.077 2.060 2.031 1.987 1.927 1.852 1.760 1.655 1.538 1.413 1.283 1.150 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.148 -1.566 -1.065 -0.633 -0.258 0.070 0.361 0.622 0.859 1.075 1.273 1.455 1.621 1.770 1.902 2.071 2.090 2.102 2.106 2.100 2.084 2.057 2.018 1.965 1.899 1.821 1.730 1.630 1.523 1.409 1.292 99999.999 99999.999 99999.999 99999.999 99999.999 -2.152 -1.571 -1.070 -0.638 -0.263 0.065 0.356 0.616 0.852 1.068 1.266 1.447 1.613 1.762 1.892 2.076 2.099 2.116 2.127 2.129 2.124 2.109 2.085 2.049 2.003 1.945 1.877 1.799 1.712 1.618 1.518 1.414 1.306 99999.999 99999.999 99999.999 -2.156 -1.576 -1.075 -0.643 -0.269 0.060 0.350 0.611 0.846 1.061 1.259 1.440 1.605 1.754 1.884 2.079 2.105 2.126 2.142 2.151 2.153 2.148 2.135 2.112 2.081 2.039 1.989 1.929 1.861 1.785 1.703 1.614 1.521 1.424 99999.999 99999.999 -2.160 -1.580 -1.079 -0.648 -0.274 0.054 0.345 0.605 0.840 1.055 1.252 1.432 1.597 1.746 1.878 2.080 2.109 2.133 2.153 2.167 2.175 2.177 2.173 2.160 2.140 2.112 2.076 2.031 1.979 1.919 1.852 1.779 1.701 1.617 1.529 1.437 -2.163 -1.585 -1.084 -0.653 -0.278 0.049 0.340 0.599 0.834 1.048 1.245 1.425 1.590 1.739 1.871 2.079 2.111 2.138 2.161 2.179 2.192 2.200 2.202 2.197 2.186 2.168 2.143 2.111 2.072 2.025 1.973 1.914 1.849 1.779 1.704 1.624 -2.196 -1.626 -1.128 -0.698 -0.325 0.002 0.291 0.548 0.780 0.990 1.182 1.359 1.521 1.670 1.805 2.038 2.079 2.117 2.154 2.189 2.221 2.252 2.281 2.307 2.332 2.354 2.374 2.392 2.408 2.421 2.432 2.440 2.446 2.450 2.451 2.450 -2.224 -1.663 -1.168 -0.739 -0.366 -0.040 0.247 0.503 0.732 0.940 1.128 1.301 1.460 1.607 1.741 1.978 2.020 2.061 2.101 2.139 2.176 2.211 2.245 2.278 2.310 2.340 2.370 2.398 2.425 2.451 2.476 2.500 2.523 2.544 2.565 2.585 -2.248 -1.697 -1.205 -0.777 -0.404 -0.079 0.208 0.463 0.690 0.895 1.081 1.251 1.407 1.551 1.683 1.917 1.960 2.001 2.041 2.080 2.117 2.154 2.189 2.224 2.257 2.290 2.321 2.352 2.382 2.412 2.440 2.468 2.496 2.523 2.549 2.575 -2.269 -1.727 -1.238 -0.811 -0.440 -0.114 0.172 0.426 0.652 0.855 1.039 1.206 1.360 1.501 1.631 1.861 1.903 1.944 1.984 2.022 2.060 2.096 2.131 2.166 2.199 2.232 2.264 2.296 2.326 2.356 2.386 2.415 2.443 2.471 2.499 2.526 -2.287 -1.755 -1.270 -0.844 -0.472 -0.148 0.138 0.391 0.617 0.819 1.001 1.166 1.317 1.456 1.583 1.810 1.851 1.891 1.930 1.968 2.005 2.041 2.076 2.110 2.143 2.175 2.207 2.238 2.269 2.298 2.328 2.356 2.385 2.413 2.440 2.467 -2.304 -1.782 -1.299 -0.874 -0.504 -0.179 0.107 0.359 0.584 0.785 0.966 1.130 1.279 1.415 1.541 1.763 1.804 1.843 1.881 1.919 1.955 1.990 2.024 2.058 2.090 2.122 2.153 2.184 2.214 2.243 2.272 2.300 2.328 2.355 2.382 2.409 -2.318 -1.807 -1.327 -0.903 -0.533 -0.209 0.077 0.329 0.553 0.753 0.933 1.096 1.244 1.378 1.502 1.721 1.760 1.799 1.837 1.873 1.909 1.943 1.977 2.010 2.041 2.073 2.103 2.133 2.162 2.191 2.219 2.247 2.274 2.301 2.327 2.353 99999.999 -1.830 -1.354 -0.931 -0.561 -0.237 0.048 0.300 0.524 0.724 0.903 1.064 1.211 1.344 1.466 1.682 1.721 1.759 1.796 1.831 1.866 1.900 1.933 1.965 1.997 2.027 2.057 2.086 2.115 2.143 2.170 2.197 2.224 2.250 2.276 2.301 Cu+2 Cu(+2) P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 4 1.000 1 1.000 16 -0.500 2 0.250 31 -21.087 -18.770 -16.780 -15.056 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.087 -18.770 -16.780 -15.056 -13.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.087 -18.771 -16.781 -15.056 -13.546 -12.211 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.088 -18.771 -16.781 -15.057 -13.547 -12.211 -11.017 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.089 -18.773 -16.782 -15.058 -13.548 -12.212 -11.018 -9.941 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.091 -18.774 -16.784 -15.060 -13.550 -12.214 -11.020 -9.943 -8.963 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.093 -18.777 -16.787 -15.062 -13.553 -12.217 -11.023 -9.946 -8.966 -8.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.097 -18.781 -16.791 -15.066 -13.556 -12.220 -11.027 -9.950 -8.970 -8.069 -7.231 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.102 -18.786 -16.796 -15.071 -13.561 -12.226 -11.032 -9.956 -8.976 -8.076 -7.239 -6.450 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.109 -18.793 -16.803 -15.078 -13.568 -12.233 -11.039 -9.964 -8.985 -8.085 -7.250 -6.463 -5.715 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.118 -18.802 -16.812 -15.087 -13.577 -12.242 -11.049 -9.973 -8.995 -8.097 -7.263 -6.479 -5.735 -5.031 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.129 -18.814 -16.824 -15.099 -13.589 -12.253 -11.061 -9.986 -9.008 -8.111 -7.280 -6.500 -5.761 -5.055 -4.425 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.138 -18.823 -16.833 -15.107 -13.597 -12.262 -11.070 -9.995 -9.018 -8.123 -7.293 -6.516 -5.781 -5.078 -4.399 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.151 -18.836 -16.845 -15.120 -13.610 -12.274 -11.082 -10.009 -9.033 -8.138 -7.311 -6.538 -5.809 -5.112 -4.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.163 -18.849 -16.858 -15.132 -13.622 -12.287 -11.095 -10.022 -9.047 -8.154 -7.329 -6.560 -5.836 -5.147 -4.459 -5.432 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.176 -18.862 -16.870 -15.145 -13.634 -12.299 -11.108 -10.035 -9.061 -8.169 -7.346 -6.580 -5.862 -5.181 -4.505 -4.281 -4.632 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.188 -18.874 -16.883 -15.157 -13.646 -12.311 -11.120 -10.048 -9.074 -8.183 -7.362 -6.600 -5.887 -5.213 -4.552 -4.013 -4.044 -4.214 -4.523 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.200 -18.886 -16.895 -15.169 -13.658 -12.323 -11.132 -10.060 -9.087 -8.198 -7.379 -6.619 -5.911 -5.244 -4.597 -3.901 -3.831 -3.827 -3.906 -4.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.212 -18.899 -16.907 -15.181 -13.670 -12.335 -11.144 -10.072 -9.100 -8.212 -7.394 -6.637 -5.933 -5.273 -4.639 -3.843 -3.728 -3.651 -3.622 -3.647 -3.721 -3.819 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.224 -18.911 -16.919 -15.192 -13.681 -12.346 -11.156 -10.085 -9.113 -8.226 -7.409 -6.655 -5.954 -5.300 -4.677 -3.812 -3.673 -3.558 -3.474 -3.426 -3.416 -3.440 -3.482 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.235 -18.923 -16.931 -15.204 -13.693 -12.358 -11.167 -10.097 -9.126 -8.239 -7.424 -6.672 -5.974 -5.324 -4.711 -3.796 -3.641 -3.505 -3.390 -3.300 -3.238 -3.204 -3.195 -3.201 -3.211 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.247 -18.935 -16.943 -15.216 -13.704 -12.369 -11.179 -10.109 -9.138 -8.252 -7.439 -6.688 -5.992 -5.347 -4.742 -3.789 -3.624 -3.474 -3.340 -3.224 -3.130 -3.057 -3.006 -2.974 -2.955 -2.943 -2.930 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.259 -18.947 -16.954 -15.227 -13.716 -12.380 -11.190 -10.120 -9.150 -8.265 -7.453 -6.703 -6.010 -5.368 -4.769 -3.787 -3.615 -3.456 -3.309 -3.177 -3.061 -2.963 -2.882 -2.819 -2.771 -2.734 -2.705 -2.680 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.270 -18.958 -16.966 -15.238 -13.727 -12.392 -11.201 -10.132 -9.162 -8.278 -7.466 -6.718 -6.027 -5.387 -4.793 -3.790 -3.613 -3.446 -3.291 -3.147 -3.017 -2.901 -2.799 -2.713 -2.641 -2.581 -2.532 -2.491 -2.455 -2.424 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.281 -18.970 -16.977 -15.250 -13.738 -12.402 -11.213 -10.143 -9.174 -8.291 -7.480 -6.733 -6.042 -5.404 -4.813 -3.795 -3.614 -3.443 -3.281 -3.129 -2.989 -2.860 -2.743 -2.640 -2.549 -2.470 -2.402 -2.344 -2.294 -2.250 -2.212 99999.999 99999.999 99999.999 99999.999 99999.999 -21.293 -18.982 -16.989 -15.261 -13.749 -12.413 -11.223 -10.154 -9.186 -8.303 -7.493 -6.747 -6.057 -5.420 -4.831 -3.802 -3.619 -3.443 -3.277 -3.119 -2.971 -2.833 -2.706 -2.589 -2.484 -2.390 -2.306 -2.232 -2.167 -2.111 -2.061 -2.017 -1.980 99999.999 99999.999 99999.999 -21.304 -18.993 -17.000 -15.272 -13.760 -12.424 -11.234 -10.165 -9.197 -8.315 -7.506 -6.760 -6.072 -5.436 -4.847 -3.811 -3.625 -3.447 -3.277 -3.115 -2.961 -2.816 -2.680 -2.554 -2.438 -2.332 -2.235 -2.148 -2.070 -2.000 -1.938 -1.884 -1.836 -1.794 99999.999 99999.999 -21.315 -19.004 -17.011 -15.283 -13.770 -12.435 -11.245 -10.176 -9.209 -8.327 -7.518 -6.773 -6.086 -5.450 -4.862 -3.820 -3.633 -3.453 -3.280 -3.114 -2.956 -2.806 -2.664 -2.531 -2.406 -2.290 -2.183 -2.085 -1.995 -1.914 -1.841 -1.775 -1.716 -1.665 -1.620 -1.582 -21.326 -19.016 -17.022 -15.293 -13.781 -12.445 -11.256 -10.187 -9.220 -8.338 -7.530 -6.786 -6.099 -5.464 -4.876 -3.831 -3.642 -3.460 -3.285 -3.117 -2.955 -2.801 -2.655 -2.515 -2.384 -2.261 -2.145 -2.038 -1.939 -1.848 -1.764 -1.688 -1.619 -1.557 -1.502 -1.454 -21.431 -19.124 -17.128 -15.397 -13.883 -12.546 -11.356 -10.289 -9.325 -8.447 -7.644 -6.906 -6.224 -5.592 -5.006 -3.953 -3.760 -3.571 -3.388 -3.210 -3.037 -2.868 -2.704 -2.544 -2.389 -2.238 -2.091 -1.948 -1.810 -1.675 -1.545 -1.419 -1.297 -1.179 -1.065 -0.956 -21.529 -19.225 -17.228 -15.494 -13.977 -12.639 -11.448 -10.382 -9.419 -8.544 -7.745 -7.011 -6.333 -5.706 -5.123 -4.075 -3.881 -3.693 -3.509 -3.330 -3.156 -2.985 -2.819 -2.656 -2.498 -2.343 -2.191 -2.043 -1.898 -1.756 -1.617 -1.481 -1.348 -1.218 -1.091 -0.966 -21.623 -19.321 -17.322 -15.586 -14.066 -12.726 -11.535 -10.468 -9.506 -8.633 -7.836 -7.105 -6.431 -5.807 -5.229 -4.186 -3.994 -3.806 -3.624 -3.445 -3.271 -3.102 -2.936 -2.773 -2.615 -2.460 -2.308 -2.159 -2.014 -1.871 -1.731 -1.594 -1.459 -1.327 -1.197 -1.069 -21.712 -19.413 -17.413 -15.673 -14.151 -12.809 -11.616 -10.548 -9.586 -8.714 -7.919 -7.191 -6.520 -5.899 -5.323 -4.287 -4.096 -3.910 -3.728 -3.551 -3.378 -3.209 -3.045 -2.883 -2.726 -2.572 -2.421 -2.273 -2.128 -1.986 -1.847 -1.710 -1.576 -1.444 -1.315 -1.187 -21.797 -19.502 -17.499 -15.757 -14.233 -12.888 -11.693 -10.625 -9.662 -8.791 -7.997 -7.270 -6.601 -5.983 -5.410 -4.379 -4.189 -4.004 -3.824 -3.648 -3.476 -3.308 -3.145 -2.985 -2.828 -2.675 -2.525 -2.379 -2.235 -2.094 -1.956 -1.820 -1.687 -1.556 -1.428 -1.302 -21.881 -19.588 -17.583 -15.838 -14.311 -12.964 -11.768 -10.698 -9.735 -8.863 -8.069 -7.343 -6.676 -6.060 -5.490 -4.464 -4.275 -4.091 -3.911 -3.736 -3.566 -3.399 -3.236 -3.077 -2.922 -2.770 -2.621 -2.476 -2.333 -2.193 -2.056 -1.922 -1.790 -1.660 -1.533 -1.408 -21.962 -19.671 -17.665 -15.917 -14.387 -13.038 -11.839 -10.768 -9.804 -8.932 -8.138 -7.413 -6.747 -6.132 -5.564 -4.542 -4.354 -4.171 -3.992 -3.818 -3.648 -3.482 -3.321 -3.163 -3.008 -2.857 -2.709 -2.565 -2.423 -2.284 -2.148 -2.015 -1.884 -1.756 -1.630 -1.506 99999.999 -19.754 -17.744 -15.993 -14.461 -13.109 -11.909 -10.836 -9.871 -8.998 -8.204 -7.479 -6.814 -6.200 -5.633 -4.614 -4.427 -4.245 -4.067 -3.894 -3.725 -3.560 -3.399 -3.241 -3.088 -2.938 -2.791 -2.647 -2.506 -2.368 -2.233 -2.101 -1.971 -1.843 -1.718 -1.595 CuCl+ CuCl(1) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 6 1.125 1 -0.500 2 -0.125 6 0.125 4 1.000 16 1.000 3 -2.509 -1.881 -1.436 -1.118 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.509 -1.881 -1.436 -1.118 -0.893 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.509 -1.881 -1.436 -1.118 -0.893 -0.742 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.509 -1.881 -1.437 -1.118 -0.893 -0.742 -0.651 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.509 -1.881 -1.437 -1.118 -0.893 -0.742 -0.651 -0.613 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.509 -1.881 -1.437 -1.118 -0.893 -0.742 -0.651 -0.612 -0.620 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.509 -1.882 -1.437 -1.118 -0.893 -0.741 -0.650 -0.611 -0.618 -0.671 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.509 -1.882 -1.437 -1.118 -0.893 -0.741 -0.649 -0.610 -0.616 -0.668 -0.768 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.509 -1.882 -1.438 -1.119 -0.893 -0.740 -0.648 -0.608 -0.613 -0.663 -0.760 -0.916 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.509 -1.883 -1.439 -1.119 -0.893 -0.740 -0.647 -0.605 -0.609 -0.657 -0.751 -0.901 -1.130 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.509 -1.884 -1.439 -1.120 -0.893 -0.739 -0.645 -0.602 -0.604 -0.649 -0.740 -0.882 -1.097 -1.441 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.509 -1.885 -1.441 -1.120 -0.893 -0.738 -0.643 -0.598 -0.598 -0.640 -0.725 -0.860 -1.059 -1.363 -1.955 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.509 -1.886 -1.442 -1.121 -0.893 -0.738 -0.641 -0.595 -0.594 -0.633 -0.715 -0.844 -1.032 -1.313 -1.802 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.510 -1.888 -1.443 -1.122 -0.893 -0.737 -0.639 -0.592 -0.588 -0.624 -0.701 -0.822 -0.997 -1.250 -1.656 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.511 -1.890 -1.445 -1.123 -0.894 -0.736 -0.637 -0.588 -0.582 -0.615 -0.688 -0.802 -0.965 -1.196 -1.548 -3.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.512 -1.892 -1.447 -1.125 -0.894 -0.736 -0.636 -0.585 -0.576 -0.607 -0.675 -0.783 -0.937 -1.149 -1.461 -2.623 -3.384 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.513 -1.894 -1.449 -1.126 -0.895 -0.735 -0.634 -0.581 -0.571 -0.599 -0.664 -0.766 -0.910 -1.107 -1.387 -2.250 -2.635 -3.203 -4.039 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.514 -1.896 -1.451 -1.127 -0.896 -0.735 -0.633 -0.578 -0.566 -0.592 -0.653 -0.750 -0.886 -1.070 -1.324 -2.044 -2.311 -2.659 -3.125 -3.746 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.516 -1.898 -1.453 -1.129 -0.896 -0.735 -0.631 -0.576 -0.561 -0.585 -0.642 -0.735 -0.864 -1.036 -1.269 -1.902 -2.112 -2.369 -2.688 -3.090 -3.592 -4.195 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.517 -1.900 -1.455 -1.131 -0.897 -0.735 -0.630 -0.573 -0.557 -0.578 -0.633 -0.721 -0.843 -1.005 -1.220 -1.794 -1.971 -2.177 -2.424 -2.720 -3.077 -3.503 -3.997 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.519 -1.903 -1.457 -1.132 -0.898 -0.735 -0.629 -0.570 -0.553 -0.572 -0.623 -0.708 -0.824 -0.977 -1.177 -1.707 -1.861 -2.037 -2.240 -2.477 -2.753 -3.076 -3.449 -3.869 -4.331 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.521 -1.905 -1.459 -1.134 -0.899 -0.735 -0.628 -0.568 -0.549 -0.566 -0.615 -0.695 -0.807 -0.952 -1.138 -1.634 -1.772 -1.926 -2.101 -2.300 -2.527 -2.787 -3.082 -3.414 -3.782 -4.180 -4.599 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.523 -1.908 -1.462 -1.136 -0.900 -0.735 -0.627 -0.566 -0.545 -0.560 -0.606 -0.683 -0.790 -0.929 -1.104 -1.571 -1.696 -1.835 -1.990 -2.163 -2.357 -2.575 -2.820 -3.092 -3.393 -3.721 -4.070 -4.436 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.526 -1.910 -1.464 -1.138 -0.901 -0.735 -0.626 -0.564 -0.542 -0.554 -0.599 -0.672 -0.775 -0.907 -1.073 -1.516 -1.631 -1.758 -1.898 -2.052 -2.222 -2.411 -2.621 -2.852 -3.105 -3.381 -3.676 -3.988 -4.312 -4.644 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.528 -1.913 -1.467 -1.140 -0.903 -0.736 -0.626 -0.562 -0.538 -0.549 -0.591 -0.662 -0.761 -0.888 -1.046 -1.467 -1.574 -1.691 -1.819 -1.959 -2.112 -2.279 -2.463 -2.664 -2.883 -3.120 -3.374 -3.643 -3.925 -4.216 -4.512 99999.999 99999.999 99999.999 99999.999 99999.999 -2.531 -1.916 -1.469 -1.142 -0.904 -0.736 -0.625 -0.560 -0.535 -0.544 -0.584 -0.652 -0.747 -0.869 -1.021 -1.422 -1.523 -1.632 -1.750 -1.879 -2.018 -2.169 -2.334 -2.512 -2.705 -2.913 -3.135 -3.371 -3.619 -3.875 -4.139 -4.407 -4.676 99999.999 99999.999 99999.999 -2.533 -1.919 -1.472 -1.144 -0.905 -0.737 -0.625 -0.559 -0.532 -0.539 -0.577 -0.643 -0.735 -0.853 -0.998 -1.382 -1.477 -1.580 -1.690 -1.809 -1.937 -2.076 -2.225 -2.386 -2.559 -2.745 -2.942 -3.151 -3.371 -3.600 -3.836 -4.077 -4.321 -4.566 99999.999 99999.999 -2.536 -1.922 -1.475 -1.146 -0.907 -0.737 -0.624 -0.557 -0.529 -0.535 -0.571 -0.634 -0.723 -0.837 -0.977 -1.345 -1.435 -1.532 -1.636 -1.747 -1.866 -1.994 -2.132 -2.279 -2.436 -2.604 -2.782 -2.970 -3.167 -3.373 -3.586 -3.804 -4.026 -4.250 -4.474 -4.697 -2.539 -1.925 -1.477 -1.148 -0.908 -0.738 -0.624 -0.556 -0.526 -0.531 -0.565 -0.625 -0.711 -0.822 -0.957 -1.311 -1.397 -1.489 -1.587 -1.691 -1.803 -1.923 -2.050 -2.186 -2.330 -2.484 -2.646 -2.817 -2.996 -3.183 -3.377 -3.576 -3.779 -3.984 -4.191 -4.397 -2.575 -1.961 -1.508 -1.173 -0.927 -0.749 -0.626 -0.547 -0.506 -0.497 -0.515 -0.557 -0.621 -0.705 -0.807 -1.066 -1.127 -1.190 -1.257 -1.326 -1.399 -1.475 -1.554 -1.636 -1.721 -1.810 -1.902 -1.997 -2.095 -2.196 -2.300 -2.406 -2.515 -2.627 -2.740 -2.855 -2.622 -2.003 -1.545 -1.203 -0.950 -0.765 -0.634 -0.547 -0.497 -0.477 -0.483 -0.511 -0.560 -0.625 -0.707 -0.914 -0.962 -1.013 -1.065 -1.119 -1.175 -1.233 -1.294 -1.356 -1.420 -1.486 -1.554 -1.624 -1.696 -1.769 -1.844 -1.921 -1.999 -2.079 -2.160 -2.242 -2.677 -2.050 -1.585 -1.237 -0.977 -0.785 -0.647 -0.553 -0.494 -0.465 -0.461 -0.479 -0.516 -0.568 -0.636 -0.808 -0.848 -0.890 -0.933 -0.978 -1.025 -1.073 -1.123 -1.174 -1.226 -1.281 -1.336 -1.393 -1.451 -1.511 -1.571 -1.633 -1.696 -1.760 -1.825 -1.891 -2.738 -2.102 -1.630 -1.274 -1.007 -0.809 -0.664 -0.563 -0.497 -0.461 -0.449 -0.457 -0.484 -0.526 -0.582 -0.729 -0.763 -0.799 -0.836 -0.875 -0.915 -0.956 -0.999 -1.043 -1.088 -1.134 -1.182 -1.230 -1.280 -1.331 -1.383 -1.435 -1.489 -1.544 -1.599 -1.656 -2.805 -2.158 -1.677 -1.314 -1.041 -0.836 -0.685 -0.577 -0.505 -0.461 -0.442 -0.443 -0.462 -0.495 -0.542 -0.668 -0.698 -0.729 -0.762 -0.796 -0.831 -0.867 -0.905 -0.943 -0.983 -1.024 -1.066 -1.108 -1.152 -1.197 -1.243 -1.289 -1.336 -1.384 -1.433 -1.483 -2.876 -2.217 -1.727 -1.357 -1.077 -0.865 -0.708 -0.594 -0.516 -0.467 -0.441 -0.435 -0.447 -0.473 -0.512 -0.621 -0.647 -0.675 -0.704 -0.734 -0.765 -0.797 -0.831 -0.865 -0.901 -0.937 -0.975 -1.013 -1.053 -1.093 -1.134 -1.176 -1.218 -1.262 -1.306 -1.351 -2.951 -2.279 -1.780 -1.402 -1.115 -0.897 -0.734 -0.615 -0.530 -0.475 -0.444 -0.432 -0.437 -0.457 -0.489 -0.584 -0.607 -0.632 -0.657 -0.684 -0.712 -0.742 -0.772 -0.803 -0.835 -0.868 -0.903 -0.937 -0.973 -1.010 -1.047 -1.086 -1.125 -1.164 -1.205 -1.246 99999.999 -2.343 -1.834 -1.449 -1.154 -0.930 -0.762 -0.637 -0.547 -0.487 -0.450 -0.433 -0.432 -0.446 -0.472 -0.555 -0.575 -0.597 -0.621 -0.645 -0.670 -0.697 -0.724 -0.753 -0.782 -0.813 -0.844 -0.876 -0.909 -0.943 -0.977 -1.012 -1.048 -1.085 -1.123 -1.161 CuCl+ CuCl(1) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 5 1.000 1 -0.500 2 0.250 31 1.000 16 1.000 3 -21.521 -19.171 -17.241 -15.632 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.521 -19.171 -17.241 -15.632 -14.274 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.521 -19.171 -17.242 -15.632 -14.274 -13.119 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 6 1.125 1 -0.500 2 -0.125 6 0.125 4 1.000 16 2.000 3 -1.498 -0.791 -0.360 -0.109 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.498 -0.791 -0.360 -0.109 0.009 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.497 -0.791 -0.359 -0.109 0.009 0.022 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-8.874 -8.764 -8.730 -8.876 -8.949 -9.038 -9.144 -9.270 -9.415 -9.583 -9.774 -9.991 -10.234 -10.504 -10.801 -11.121 -11.462 -11.819 -12.186 99999.999 99999.999 99999.999 99999.999 99999.999 -20.559 -18.138 -16.209 -14.646 -13.365 -12.312 -11.444 -10.731 -10.149 -9.683 -9.317 -9.040 -8.845 -8.725 -8.679 -8.799 -8.863 -8.941 -9.035 -9.145 -9.273 -9.419 -9.586 -9.773 -9.982 -10.213 -10.466 -10.740 -11.032 -11.339 -11.657 -11.982 -12.310 99999.999 99999.999 99999.999 -20.566 -18.143 -16.213 -14.649 -13.367 -12.312 -11.441 -10.726 -10.141 -9.671 -9.301 -9.019 -8.817 -8.690 -8.632 -8.728 -8.784 -8.853 -8.936 -9.033 -9.146 -9.276 -9.423 -9.587 -9.770 -9.972 -10.192 -10.429 -10.683 -10.950 -11.229 -11.516 -11.806 -12.097 99999.999 99999.999 -20.573 -18.149 -16.218 -14.652 -13.369 -12.311 -11.439 -10.721 -10.134 -9.660 -9.286 -8.999 -8.792 -8.657 -8.590 -8.662 -8.710 -8.771 -8.845 -8.932 -9.033 -9.148 -9.279 -9.425 -9.587 -9.765 -9.959 -10.169 -10.392 -10.628 -10.875 -11.130 -11.390 -11.652 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-7.505 -7.526 -7.551 -7.580 -7.613 -7.650 -7.691 -7.736 -7.783 -7.834 -21.060 -18.533 -16.526 -14.893 -13.545 -12.423 -11.482 -10.690 -10.021 -9.456 -8.979 -8.579 -8.245 -7.968 -7.742 -7.420 -7.374 -7.333 -7.298 -7.268 -7.243 -7.223 -7.208 -7.197 -7.190 -7.188 -7.189 -7.195 -7.205 -7.219 -7.236 -7.257 -7.281 -7.308 -7.339 -7.373 -21.222 -18.657 -16.625 -14.974 -13.610 -12.474 -11.519 -10.713 -10.030 -9.450 -8.958 -8.541 -8.189 -7.894 -7.648 -7.284 -7.229 -7.180 -7.135 -7.096 -7.061 -7.031 -7.005 -6.984 -6.967 -6.954 -6.945 -6.939 -6.938 -6.940 -6.945 -6.954 -6.967 -6.982 -7.000 -7.022 -21.394 -18.787 -16.732 -15.061 -13.681 -12.530 -11.562 -10.743 -10.047 -9.454 -8.948 -8.516 -8.149 -7.838 -7.576 -7.176 -7.114 -7.057 -7.005 -6.958 -6.915 -6.877 -6.843 -6.814 -6.788 -6.767 -6.749 -6.735 -6.725 -6.718 -6.715 -6.714 -6.717 -6.723 -6.733 -6.745 -21.575 -18.925 -16.843 -15.153 -13.758 -12.593 -11.611 -10.780 -10.072 -9.466 -8.947 -8.503 -8.122 -7.797 -7.520 -7.090 -7.022 -6.958 -6.900 -6.846 -6.797 -6.752 -6.712 -6.676 -6.643 -6.615 -6.590 -6.569 -6.552 -6.538 -6.527 -6.520 -6.515 -6.514 -6.516 -6.520 99999.999 -19.067 -16.960 -15.251 -13.839 -12.659 -11.665 -10.822 -10.102 -9.485 -8.955 -8.498 -8.105 -7.768 -7.478 -7.022 -6.947 -6.878 -6.814 -6.755 -6.700 -6.650 -6.604 -6.562 -6.524 -6.490 -6.460 -6.433 -6.409 -6.389 -6.373 -6.359 -6.349 -6.341 -6.337 -6.336 CuCl3- CuCl3(-1) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 6 1.125 1 -0.500 2 -0.125 6 0.125 4 1.000 16 3.000 3 -0.128 0.809 1.366 1.677 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.128 0.809 1.366 1.677 1.811 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.128 0.810 1.367 1.677 1.811 1.809 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.127 0.810 1.367 1.678 1.812 1.809 1.697 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.125 0.812 1.369 1.680 1.813 1.811 1.699 1.493 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.123 0.814 1.371 1.682 1.815 1.813 1.702 1.496 1.207 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.119 0.817 1.374 1.685 1.819 1.817 1.706 1.501 1.213 0.841 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.114 0.822 1.378 1.689 1.823 1.822 1.712 1.508 1.222 0.852 0.392 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.106 0.828 1.384 1.695 1.830 1.829 1.720 1.518 1.233 0.868 0.412 -0.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.097 0.836 1.392 1.703 1.838 1.839 1.731 1.531 1.249 0.887 0.439 -0.116 -0.825 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.085 0.847 1.402 1.713 1.849 1.851 1.744 1.547 1.269 0.912 0.473 -0.068 -0.747 -1.669 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.070 0.860 1.415 1.726 1.863 1.866 1.762 1.568 1.293 0.944 0.514 -0.009 -0.656 -1.504 -2.874 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.058 0.870 1.424 1.736 1.874 1.878 1.775 1.583 1.312 0.967 0.545 0.035 -0.590 -1.392 -2.595 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.043 0.884 1.438 1.750 1.888 1.894 1.794 1.605 1.338 1.000 0.588 0.094 -0.503 -1.250 -2.302 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.028 0.897 1.451 1.763 1.902 1.910 1.811 1.626 1.364 1.031 0.628 0.149 -0.423 -1.124 -2.071 -6.032 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.014 0.909 1.463 1.776 1.916 1.925 1.829 1.646 1.388 1.061 0.667 0.201 -0.349 -1.011 -1.875 -4.060 -5.298 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.001 0.921 1.475 1.788 1.929 1.940 1.846 1.666 1.411 1.090 0.703 0.250 -0.280 -0.909 -1.706 -3.492 -4.184 -5.151 -6.565 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.012 0.933 1.486 1.800 1.942 1.954 1.862 1.685 1.434 1.118 0.739 0.296 -0.217 -0.817 -1.557 -3.157 -3.678 -4.321 -5.147 -6.229 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.023 0.944 1.498 1.812 1.955 1.968 1.878 1.703 1.456 1.144 0.772 0.340 -0.158 -0.732 -1.425 -2.915 -3.353 -3.861 -4.465 -5.199 -6.100 -7.185 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.035 0.955 1.508 1.823 1.967 1.981 1.893 1.721 1.477 1.170 0.804 0.381 -0.102 -0.655 -1.308 -2.723 -3.111 -3.545 -4.039 -4.611 -5.279 -6.064 -6.971 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.045 0.965 1.518 1.834 1.979 1.994 1.908 1.739 1.498 1.195 0.835 0.420 -0.051 -0.584 -1.203 -2.563 -2.917 -3.304 -3.732 -4.213 -4.756 -5.374 -6.075 -6.863 -7.728 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.055 0.974 1.528 1.844 1.990 2.007 1.923 1.756 1.518 1.219 0.865 0.457 -0.002 -0.519 -1.109 -2.425 -2.753 -3.107 -3.492 -3.915 -4.381 -4.899 -5.476 -6.114 -6.815 -7.571 -8.370 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.064 0.984 1.538 1.855 2.001 2.020 1.937 1.772 1.538 1.243 0.893 0.493 0.043 -0.459 -1.025 -2.303 -2.611 -2.941 -3.295 -3.677 -4.092 -4.545 -5.040 -5.582 -6.170 -6.804 -7.478 -8.183 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.073 0.993 1.547 1.864 2.012 2.032 1.951 1.788 1.557 1.265 0.921 0.527 0.086 -0.404 -0.950 -2.193 -2.486 -2.796 -3.126 -3.479 -3.857 -4.265 -4.704 -5.178 -5.689 -6.236 -6.817 -7.427 -8.058 -8.704 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.081 1.001 1.556 1.874 2.023 2.043 1.964 1.804 1.575 1.287 0.947 0.559 0.126 -0.353 -0.882 -2.094 -2.373 -2.668 -2.979 -3.309 -3.660 -4.033 -4.432 -4.858 -5.313 -5.797 -6.308 -6.845 -7.403 -7.977 -8.559 99999.999 99999.999 99999.999 99999.999 99999.999 0.089 1.009 1.564 1.883 2.033 2.055 1.977 1.819 1.593 1.308 0.973 0.590 0.164 -0.306 -0.821 -2.002 -2.271 -2.552 -2.848 -3.160 -3.488 -3.836 -4.204 -4.594 -5.008 -5.444 -5.904 -6.385 -6.885 -7.400 -7.926 -8.457 -8.989 99999.999 99999.999 99999.999 0.096 1.017 1.573 1.892 2.043 2.066 1.990 1.834 1.610 1.329 0.997 0.620 0.200 -0.261 -0.765 -1.918 -2.177 -2.447 -2.730 -3.027 -3.338 -3.665 -4.009 -4.371 -4.752 -5.152 -5.572 -6.009 -6.464 -6.932 -7.411 -7.897 -8.386 -8.873 99999.999 99999.999 0.103 1.024 1.580 1.901 2.052 2.077 2.002 1.848 1.627 1.349 1.021 0.648 0.234 -0.220 -0.714 -1.839 -2.090 -2.351 -2.623 -2.906 -3.203 -3.513 -3.837 -4.177 -4.533 -4.905 -5.292 -5.696 -6.114 -6.544 -6.984 -7.432 -7.885 -8.338 -8.789 -9.234 0.109 1.031 1.588 1.909 2.061 2.087 2.014 1.862 1.644 1.369 1.044 0.676 0.267 -0.180 -0.666 -1.765 -2.008 -2.261 -2.524 -2.796 -3.080 -3.376 -3.685 -4.006 -4.341 -4.690 -5.052 -5.428 -5.817 -6.216 -6.625 -7.041 -7.462 -7.886 -8.308 -8.728 0.143 1.080 1.648 1.978 2.140 2.178 2.119 1.984 1.787 1.537 1.243 0.911 0.545 0.149 -0.274 -1.203 -1.401 -1.604 -1.812 -2.024 -2.241 -2.463 -2.690 -2.921 -3.158 -3.399 -3.645 -3.896 -4.151 -4.411 -4.675 -4.942 -5.213 -5.487 -5.763 -6.041 0.137 1.101 1.683 2.024 2.198 2.246 2.200 2.080 1.899 1.669 1.399 1.093 0.757 0.396 0.011 -0.820 -0.995 -1.173 -1.354 -1.539 -1.726 -1.916 -2.109 -2.304 -2.503 -2.704 -2.908 -3.115 -3.324 -3.536 -3.751 -3.967 -4.186 -4.406 -4.629 -4.853 0.099 1.098 1.699 2.053 2.238 2.298 2.263 2.155 1.989 1.775 1.523 1.238 0.925 0.589 0.233 -0.531 -0.691 -0.853 -1.018 -1.185 -1.353 -1.524 -1.698 -1.873 -2.050 -2.229 -2.409 -2.592 -2.777 -2.963 -3.151 -3.340 -3.532 -3.724 -3.918 -4.113 0.036 1.077 1.699 2.068 2.264 2.335 2.311 2.215 2.061 1.861 1.624 1.356 1.062 0.747 0.412 -0.301 -0.450 -0.601 -0.754 -0.909 -1.065 -1.223 -1.382 -1.543 -1.706 -1.870 -2.036 -2.203 -2.371 -2.541 -2.712 -2.884 -3.058 -3.232 -3.408 -3.585 -0.048 1.039 1.685 2.070 2.279 2.361 2.347 2.262 2.119 1.931 1.707 1.453 1.175 0.876 0.560 -0.114 -0.254 -0.396 -0.540 -0.685 -0.832 -0.980 -1.129 -1.280 -1.432 -1.585 -1.740 -1.896 -2.052 -2.210 -2.369 -2.530 -2.691 -2.853 -3.016 -3.180 -0.149 0.989 1.660 2.062 2.284 2.377 2.374 2.298 2.165 1.988 1.776 1.535 1.270 0.985 0.684 0.043 -0.090 -0.225 -0.362 -0.500 -0.639 -0.779 -0.921 -1.063 -1.207 -1.352 -1.498 -1.645 -1.793 -1.942 -2.092 -2.243 -2.395 -2.548 -2.701 -2.856 -0.265 0.928 1.625 2.044 2.280 2.384 2.391 2.325 2.202 2.035 1.833 1.602 1.349 1.077 0.789 0.175 0.048 -0.081 -0.212 -0.343 -0.476 -0.610 -0.745 -0.882 -1.019 -1.157 -1.296 -1.437 -1.578 -1.720 -1.863 -2.006 -2.151 -2.296 -2.443 -2.590 99999.999 0.857 1.582 2.019 2.268 2.384 2.401 2.344 2.231 2.073 1.880 1.659 1.416 1.154 0.878 0.289 0.166 0.042 -0.083 -0.210 -0.337 -0.466 -0.596 -0.727 -0.859 -0.991 -1.125 -1.260 -1.395 -1.531 -1.668 -1.806 -1.945 -2.085 -2.225 -2.366 CuCl3- CuCl3(-1) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 5 1.000 1 -0.500 2 0.250 31 1.000 16 3.000 3 -19.141 -16.480 -14.439 -12.837 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.141 -16.480 -14.439 -12.837 -11.571 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.140 -16.480 -14.438 -12.837 -11.570 -10.569 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.140 -16.480 -14.438 -12.837 -11.570 -10.568 -9.783 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.139 -16.479 -14.437 -12.836 -11.569 -10.567 -9.782 -9.179 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.137 -16.478 -14.436 -12.835 -11.568 -10.565 -9.780 -9.177 -8.732 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.135 -16.476 -14.435 -12.833 -11.566 -10.563 -9.777 -9.173 -8.727 -8.427 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.132 -16.474 -14.432 -12.830 -11.563 -10.560 -9.773 -9.168 -8.720 -8.418 -8.258 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.128 -16.470 -14.429 -12.827 -11.559 -10.555 -9.767 -9.161 -8.711 -8.405 -8.241 -8.229 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.122 -16.466 -14.425 -12.822 -11.554 -10.549 -9.760 -9.151 -8.699 -8.389 -8.218 -8.196 -8.356 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.116 -16.461 -14.420 -12.817 -11.547 -10.541 -9.750 -9.139 -8.684 -8.369 -8.190 -8.154 -8.289 -8.680 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.107 -16.454 -14.413 -12.810 -11.539 -10.532 -9.738 -9.124 -8.665 -8.344 -8.155 -8.103 -8.208 -8.534 -9.358 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.102 -16.449 -14.408 -12.805 -11.533 -10.524 -9.729 -9.113 -8.651 -8.325 -8.130 -8.066 -8.151 -8.435 -9.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.094 -16.443 -14.402 -12.797 -11.525 -10.514 -9.717 -9.098 -8.631 -8.299 -8.095 -8.016 -8.075 -8.309 -8.853 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.087 -16.437 -14.396 -12.791 -11.517 -10.505 -9.705 -9.083 -8.612 -8.275 -8.061 -7.969 -8.005 -8.198 -8.647 -11.366 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.080 -16.431 -14.390 -12.784 -11.509 -10.496 -9.694 -9.068 -8.594 -8.251 -8.030 -7.925 -7.941 -8.099 -8.474 -9.662 -10.611 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.075 -16.426 -14.385 -12.778 -11.502 -10.487 -9.683 -9.055 -8.576 -8.229 -8.000 -7.884 -7.882 -8.009 -8.323 -9.172 -9.648 -10.367 -11.486 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.070 -16.422 -14.380 -12.773 -11.495 -10.478 -9.672 -9.041 -8.559 -8.207 -7.971 -7.845 -7.828 -7.928 -8.191 -8.883 -9.211 -9.648 -10.249 -11.081 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.065 -16.418 -14.376 -12.768 -11.489 -10.470 -9.662 -9.029 -8.543 -8.186 -7.944 -7.809 -7.777 -7.854 -8.074 -8.673 -8.929 -9.250 -9.657 -10.183 -10.860 -11.705 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.062 -16.414 -14.372 -12.763 -11.483 -10.463 -9.652 -9.016 -8.527 -8.166 -7.919 -7.775 -7.730 -7.787 -7.970 -8.506 -8.719 -8.975 -9.288 -9.671 -10.144 -10.722 -11.414 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.058 -16.411 -14.368 -12.758 -11.477 -10.455 -9.643 -9.004 -8.512 -8.147 -7.894 -7.742 -7.686 -7.726 -7.877 -8.367 -8.550 -8.766 -9.021 -9.325 -9.688 -10.119 -10.629 -11.218 -11.880 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.056 -16.408 -14.365 -12.754 -11.472 -10.448 -9.634 -8.993 -8.498 -8.129 -7.870 -7.712 -7.645 -7.670 -7.795 -8.247 -8.408 -8.595 -8.812 -9.066 -9.362 -9.706 -10.104 -10.561 -11.077 -11.645 -12.255 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.054 -16.406 -14.362 -12.750 -11.466 -10.442 -9.626 -8.982 -8.484 -8.111 -7.848 -7.683 -7.607 -7.618 -7.721 -8.141 -8.285 -8.450 -8.640 -8.859 -9.110 -9.397 -9.724 -10.095 -10.511 -10.970 -11.468 -11.997 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.053 -16.404 -14.359 -12.746 -11.461 -10.435 -9.617 -8.972 -8.471 -8.094 -7.826 -7.655 -7.572 -7.571 -7.656 -8.046 -8.176 -8.324 -8.494 -8.687 -8.905 -9.152 -9.431 -9.743 -10.090 -10.472 -10.887 -11.331 -11.797 -12.278 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.052 -16.403 -14.357 -12.743 -11.457 -10.429 -9.609 -8.961 -8.458 -8.078 -7.806 -7.629 -7.538 -7.528 -7.597 -7.960 -8.078 -8.213 -8.366 -8.538 -8.733 -8.950 -9.193 -9.463 -9.761 -10.087 -10.441 -10.820 -11.220 -11.636 -12.064 99999.999 99999.999 99999.999 99999.999 99999.999 -19.052 -16.401 -14.354 -12.740 -11.453 -10.423 -9.602 -8.952 -8.445 -8.062 -7.786 -7.604 -7.507 -7.488 -7.545 -7.881 -7.989 -8.112 -8.252 -8.408 -8.584 -8.779 -8.995 -9.233 -9.494 -9.779 -10.086 -10.415 -10.764 -11.128 -11.505 -11.888 -12.275 99999.999 99999.999 99999.999 -19.052 -16.401 -14.353 -12.737 -11.448 -10.418 -9.595 -8.942 -8.433 -8.047 -7.767 -7.580 -7.477 -7.451 -7.497 -7.807 -7.907 -8.021 -8.149 -8.292 -8.452 -8.629 -8.824 -9.037 -9.271 -9.523 -9.796 -10.086 -10.394 -10.717 -11.052 -11.395 -11.743 -12.092 99999.999 99999.999 -19.053 -16.400 -14.351 -12.734 -11.445 -10.412 -9.588 -8.933 -8.422 -8.033 -7.749 -7.558 -7.449 -7.416 -7.453 -7.739 -7.832 -7.937 -8.055 -8.188 -8.334 -8.496 -8.674 -8.868 -9.079 -9.307 -9.551 -9.812 -10.087 -10.377 -10.677 -10.986 -11.302 -11.620 -11.937 -12.252 -19.054 -16.400 -14.350 -12.732 -11.441 -10.407 -9.581 -8.924 -8.411 -8.018 -7.731 -7.536 -7.422 -7.382 -7.412 -7.675 -7.761 -7.859 -7.969 -8.092 -8.228 -8.377 -8.541 -8.719 -8.911 -9.119 -9.341 -9.577 -9.827 -10.089 -10.361 -10.643 -10.930 -11.222 -11.515 -11.806 -19.092 -16.417 -14.352 -12.721 -11.418 -10.370 -9.528 -8.853 -8.318 -7.900 -7.583 -7.353 -7.199 -7.113 -7.086 -7.194 -7.240 -7.293 -7.354 -7.423 -7.499 -7.583 -7.674 -7.772 -7.878 -7.990 -8.110 -8.236 -8.368 -8.507 -8.652 -8.801 -8.956 -9.116 -9.279 -9.446 -19.168 -16.461 -14.377 -12.731 -11.413 -10.352 -9.496 -8.805 -8.252 -7.815 -7.475 -7.219 -7.036 -6.917 -6.854 -6.872 -6.896 -6.927 -6.964 -7.008 -7.057 -7.112 -7.173 -7.239 -7.310 -7.387 -7.469 -7.555 -7.647 -7.743 -7.843 -7.948 -8.057 -8.169 -8.285 -8.404 -19.275 -16.526 -14.419 -12.756 -11.424 -10.350 -9.480 -8.775 -8.207 -7.752 -7.394 -7.118 -6.913 -6.769 -6.678 -6.634 -6.644 -6.661 -6.682 -6.710 -6.742 -6.780 -6.822 -6.870 -6.922 -6.978 -7.039 -7.104 -7.173 -7.246 -7.322 -7.403 -7.486 -7.574 -7.664 -7.757 -19.407 -16.609 -14.476 -12.794 -11.448 -10.360 -9.477 -8.759 -8.177 -7.708 -7.334 -7.041 -6.817 -6.653 -6.541 -6.450 -6.450 -6.455 -6.466 -6.482 -6.503 -6.528 -6.558 -6.592 -6.631 -6.674 -6.721 -6.771 -6.825 -6.883 -6.944 -7.009 -7.077 -7.147 -7.221 -7.298 -19.559 -16.707 -14.545 -12.844 -11.481 -10.380 -9.484 -8.754 -8.160 -7.678 -7.290 -6.982 -6.743 -6.562 -6.433 -6.303 -6.295 -6.292 -6.294 -6.301 -6.313 -6.329 -6.350 -6.374 -6.403 -6.436 -6.472 -6.512 -6.556 -6.603 -6.653 -6.706 -6.763 -6.822 -6.884 -6.949 -19.727 -16.817 -14.624 -12.902 -11.524 -10.409 -9.501 -8.759 -8.153 -7.659 -7.259 -6.939 -6.685 -6.491 -6.346 -6.184 -6.169 -6.159 -6.155 -6.155 -6.159 -6.168 -6.181 -6.198 -6.219 -6.244 -6.273 -6.305 -6.340 -6.378 -6.420 -6.465 -6.513 -6.563 -6.616 -6.672 -19.909 -16.937 -14.713 -12.969 -11.574 -10.445 -9.525 -8.772 -8.155 -7.650 -7.239 -6.907 -6.642 -6.434 -6.277 -6.087 -6.066 -6.051 -6.040 -6.034 -6.033 -6.036 -6.043 -6.054 -6.068 -6.087 -6.109 -6.134 -6.163 -6.195 -6.230 -6.268 -6.309 -6.352 -6.399 -6.448 99999.999 -17.066 -14.809 -13.043 -11.631 -10.488 -9.555 -8.791 -8.164 -7.649 -7.227 -6.885 -6.609 -6.390 -6.221 -6.007 -5.982 -5.961 -5.946 -5.935 -5.928 -5.926 -5.928 -5.933 -5.943 -5.956 -5.973 -5.993 -6.016 -6.043 -6.072 -6.105 -6.140 -6.178 -6.219 -6.262 CuCl4-2 CuCl4(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 6 1.125 1 -0.500 2 -0.125 6 0.125 4 1.000 16 4.000 3 1.746 3.109 3.967 4.494 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.746 3.109 3.967 4.494 4.784 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.747 3.110 3.967 4.495 4.785 4.895 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.748 3.112 3.969 4.496 4.786 4.896 4.863 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.751 3.114 3.971 4.498 4.788 4.898 4.866 4.714 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.755 3.118 3.975 4.502 4.792 4.902 4.869 4.718 4.463 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.762 3.123 3.980 4.507 4.797 4.908 4.875 4.725 4.471 4.119 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.771 3.132 3.988 4.514 4.805 4.915 4.883 4.734 4.481 4.132 3.681 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.783 3.143 3.998 4.525 4.815 4.926 4.895 4.746 4.495 4.149 3.703 3.138 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.800 3.157 4.012 4.538 4.829 4.940 4.910 4.762 4.514 4.171 3.732 3.178 2.466 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.820 3.176 4.030 4.556 4.846 4.958 4.929 4.784 4.538 4.200 3.768 3.228 2.544 1.605 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.847 3.200 4.053 4.578 4.868 4.981 4.953 4.810 4.568 4.236 3.813 3.289 2.636 1.774 0.348 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.866 3.218 4.070 4.595 4.885 4.998 4.972 4.830 4.591 4.263 3.847 3.334 2.702 1.887 0.657 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.894 3.243 4.094 4.618 4.909 5.023 4.998 4.859 4.623 4.300 3.893 3.395 2.789 2.028 0.961 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.920 3.268 4.117 4.641 4.932 5.047 5.023 4.887 4.654 4.336 3.937 3.453 2.870 2.152 1.193 -3.900 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.945 3.292 4.140 4.664 4.955 5.070 5.048 4.913 4.684 4.371 3.979 3.507 2.944 2.263 1.384 -1.316 -2.865 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.970 3.314 4.162 4.686 4.977 5.093 5.072 4.940 4.713 4.405 4.020 3.558 3.013 2.363 1.547 -0.596 -1.430 -2.614 -4.325 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.993 3.337 4.184 4.707 4.998 5.115 5.096 4.965 4.742 4.438 4.059 3.607 3.077 2.454 1.690 -0.189 -0.801 -1.567 -2.560 -3.855 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.016 3.358 4.205 4.728 5.020 5.137 5.119 4.990 4.770 4.469 4.096 3.653 3.138 2.537 1.817 0.096 -0.409 -1.001 -1.714 -2.586 -3.652 -4.919 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.037 3.379 4.225 4.748 5.040 5.158 5.141 5.014 4.797 4.500 4.132 3.698 3.194 2.614 1.930 0.317 -0.124 -0.623 -1.197 -1.866 -2.652 -3.572 -4.628 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.058 3.399 4.245 4.768 5.060 5.179 5.163 5.038 4.823 4.530 4.167 3.740 3.248 2.685 2.032 0.498 0.099 -0.341 -0.833 -1.388 -2.019 -2.740 -3.558 -4.471 -5.465 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.077 3.419 4.264 4.787 5.080 5.199 5.185 5.061 4.848 4.559 4.201 3.780 3.298 2.750 2.123 0.652 0.284 -0.116 -0.553 -1.037 -1.574 -2.173 -2.841 -3.582 -4.392 -5.261 -6.174 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.096 3.438 4.283 4.806 5.099 5.219 5.205 5.084 4.873 4.587 4.233 3.819 3.346 2.811 2.206 0.786 0.442 0.072 -0.327 -0.761 -1.236 -1.755 -2.326 -2.950 -3.630 -4.361 -5.136 -5.943 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.114 3.456 4.301 4.824 5.118 5.239 5.226 5.106 4.898 4.614 4.265 3.856 3.391 2.868 2.281 0.906 0.580 0.234 -0.137 -0.535 -0.965 -1.429 -1.932 -2.477 -3.064 -3.694 -4.362 -5.064 -5.789 -6.530 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.132 3.474 4.319 4.842 5.136 5.258 5.246 5.128 4.921 4.641 4.295 3.892 3.433 2.921 2.350 1.014 0.704 0.375 0.027 -0.344 -0.740 -1.163 -1.618 -2.104 -2.625 -3.180 -3.768 -4.386 -5.028 -5.688 -6.358 99999.999 99999.999 99999.999 99999.999 99999.999 2.148 3.491 4.336 4.860 5.154 5.276 5.266 5.149 4.944 4.667 4.325 3.926 3.474 2.971 2.413 1.113 0.815 0.502 0.171 -0.178 -0.548 -0.940 -1.357 -1.801 -2.272 -2.771 -3.298 -3.850 -4.425 -5.018 -5.624 -6.238 -6.853 99999.999 99999.999 99999.999 2.164 3.508 4.353 4.877 5.171 5.294 5.285 5.169 4.967 4.692 4.353 3.959 3.513 3.018 2.471 1.204 0.917 0.616 0.300 -0.031 -0.380 -0.748 -1.136 -1.547 -1.979 -2.435 -2.915 -3.416 -3.937 -4.475 -5.027 -5.588 -6.154 -6.721 99999.999 99999.999 2.179 3.524 4.370 4.894 5.188 5.312 5.304 5.190 4.989 4.716 4.381 3.991 3.551 3.062 2.525 1.288 1.010 0.720 0.417 0.101 -0.231 -0.579 -0.945 -1.328 -1.731 -2.153 -2.595 -3.055 -3.533 -4.027 -4.533 -5.050 -5.573 -6.100 -6.625 -7.148 2.194 3.539 4.386 4.910 5.205 5.330 5.322 5.209 5.011 4.740 4.409 4.022 3.587 3.105 2.576 1.367 1.097 0.816 0.524 0.220 -0.098 -0.429 -0.776 -1.138 -1.516 -1.911 -2.322 -2.750 -3.193 -3.650 -4.119 -4.598 -5.085 -5.575 -6.067 -6.558 2.302 3.669 4.524 5.053 5.354 5.485 5.487 5.386 5.204 4.953 4.647 4.292 3.895 3.461 2.993 1.960 1.737 1.510 1.278 1.040 0.796 0.548 0.293 0.033 -0.233 -0.504 -0.781 -1.063 -1.351 -1.644 -1.941 -2.244 -2.550 -2.860 -3.174 -3.490 2.356 3.758 4.628 5.166 5.474 5.613 5.623 5.532 5.362 5.127 4.839 4.506 4.136 3.732 3.300 2.361 2.163 1.960 1.755 1.545 1.333 1.117 0.898 0.675 0.450 0.221 -0.011 -0.245 -0.483 -0.723 -0.966 -1.212 -1.460 -1.710 -1.962 -2.216 2.368 3.816 4.706 5.256 5.572 5.718 5.736 5.655 5.495 5.273 4.999 4.683 4.332 3.951 3.544 2.667 2.482 2.295 2.106 1.913 1.719 1.521 1.322 1.120 0.916 0.710 0.502 0.292 0.079 -0.135 -0.350 -0.568 -0.787 -1.007 -1.229 -1.453 2.344 3.847 4.761 5.325 5.651 5.806 5.832 5.759 5.608 5.396 5.134 4.832 4.496 4.132 3.744 2.912 2.738 2.561 2.383 2.202 2.019 1.834 1.647 1.459 1.269 1.077 0.884 0.689 0.493 0.295 0.096 -0.105 -0.306 -0.509 -0.713 -0.918 2.292 3.857 4.798 5.378 5.715 5.879 5.912 5.847 5.705 5.502 5.250 4.959 4.636 4.286 3.913 3.116 2.949 2.780 2.610 2.437 2.263 2.088 1.910 1.731 1.551 1.369 1.186 1.002 0.817 0.630 0.442 0.254 0.064 -0.127 -0.318 -0.511 2.217 3.848 4.820 5.417 5.766 5.939 5.981 5.923 5.788 5.594 5.351 5.069 4.756 4.418 4.058 3.288 3.128 2.965 2.801 2.635 2.468 2.299 2.129 1.957 1.784 1.610 1.435 1.259 1.081 0.903 0.724 0.544 0.362 0.180 -0.002 -0.186 2.121 3.825 4.828 5.443 5.806 5.988 6.038 5.988 5.861 5.673 5.438 5.165 4.862 4.533 4.184 3.437 3.282 3.124 2.965 2.805 2.643 2.480 2.315 2.149 1.982 1.814 1.645 1.475 1.303 1.131 0.958 0.785 0.610 0.435 0.259 0.082 99999.999 3.788 4.825 5.460 5.835 6.028 6.086 6.043 5.923 5.743 5.515 5.250 4.954 4.634 4.294 3.567 3.416 3.263 3.108 2.952 2.794 2.636 2.476 2.314 2.152 1.989 1.825 1.659 1.493 1.326 1.158 0.990 0.820 0.650 0.479 0.308 CuCl4-2 CuCl4(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 5 1.000 1 -0.500 2 0.250 31 1.000 16 4.000 3 -17.267 -14.180 -11.838 -10.020 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.267 -14.180 -11.838 -10.020 -8.597 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.266 -14.180 -11.838 -10.020 -8.596 -7.482 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-4.137 -4.229 -4.325 -4.424 -4.526 -4.631 -17.218 -13.890 -11.432 -9.536 -8.045 -6.862 -5.919 -5.169 -4.574 -4.107 -3.747 -3.477 -3.282 -3.153 -3.080 -3.074 -3.092 -3.115 -3.144 -3.179 -3.218 -3.262 -3.310 -3.363 -3.420 -3.481 -3.546 -3.615 -3.687 -3.762 -3.841 -3.923 -4.008 -4.096 -4.186 -4.280 -17.361 -13.958 -11.465 -9.547 -8.041 -6.846 -5.894 -5.134 -4.530 -4.054 -3.685 -3.404 -3.199 -3.058 -2.972 -2.939 -2.951 -2.969 -2.991 -3.020 -3.052 -3.090 -3.132 -3.178 -3.228 -3.282 -3.339 -3.400 -3.465 -3.533 -3.604 -3.678 -3.755 -3.835 -3.917 -4.002 -17.523 -14.040 -11.510 -9.570 -8.048 -6.841 -5.878 -5.109 -4.496 -4.012 -3.633 -3.344 -3.129 -2.978 -2.882 -2.825 -2.832 -2.845 -2.863 -2.886 -2.914 -2.946 -2.982 -3.023 -3.068 -3.116 -3.168 -3.223 -3.282 -3.344 -3.409 -3.477 -3.548 -3.621 -3.698 -3.776 99999.999 -14.135 -11.566 -9.602 -8.064 -6.844 -5.871 -5.092 -4.471 -3.979 -3.592 -3.294 -3.070 -2.911 -2.805 -2.729 -2.732 -2.741 -2.754 -2.773 -2.796 -2.824 -2.856 -2.892 -2.932 -2.976 -3.023 -3.074 -3.128 -3.185 -3.245 -3.308 -3.374 -3.443 -3.514 -3.588 CuCl,aq CuCl(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 2 1.000 16 1.000 3 -4.332 -4.133 -3.991 -3.889 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.332 -4.133 -3.991 -3.889 -3.819 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.331 -4.133 -3.991 -3.889 -3.819 -3.778 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.328 -4.130 -3.988 -3.885 -3.815 -3.773 -3.758 -3.770 -3.808 -3.878 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.326 -4.128 -3.986 -3.883 -3.813 -3.771 -3.755 -3.766 -3.804 -3.872 -3.981 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.323 -4.126 -3.983 -3.881 -3.810 -3.767 -3.751 -3.761 -3.797 -3.864 -3.970 -4.129 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.319 -4.122 -3.980 -3.877 -3.806 -3.763 -3.746 -3.754 -3.789 -3.854 -3.956 -4.108 -4.336 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.315 -4.118 -3.975 -3.872 -3.801 -3.757 -3.739 -3.746 -3.779 -3.841 -3.938 -4.082 -4.294 -4.627 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.309 -4.112 -3.970 -3.866 -3.794 -3.749 -3.730 -3.736 -3.766 -3.824 -3.915 -4.050 -4.245 -4.541 -5.091 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.304 -4.108 -3.966 -3.862 -3.789 -3.744 -3.724 -3.728 -3.756 -3.812 -3.899 -4.026 -4.209 -4.482 -4.957 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.298 -4.102 -3.960 -3.855 -3.782 -3.736 -3.714 -3.716 -3.743 -3.794 -3.876 -3.994 -4.162 -4.405 -4.808 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.293 -4.097 -3.954 -3.849 -3.775 -3.728 -3.705 -3.706 -3.729 -3.778 -3.854 -3.964 -4.118 -4.337 -4.686 -5.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.287 -4.092 -3.949 -3.843 -3.769 -3.721 -3.697 -3.695 -3.717 -3.762 -3.834 -3.936 -4.078 -4.276 -4.580 -5.211 -5.667 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.282 -4.086 -3.943 -3.838 -3.762 -3.713 -3.688 -3.685 -3.704 -3.747 -3.814 -3.910 -4.041 -4.220 -4.488 -4.980 -5.223 -5.579 -6.135 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.277 -4.082 -3.938 -3.832 -3.756 -3.706 -3.680 -3.675 -3.693 -3.732 -3.795 -3.885 -4.006 -4.169 -4.406 -4.837 -5.014 -5.239 -5.542 -5.961 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.273 -4.077 -3.933 -3.827 -3.750 -3.699 -3.672 -3.666 -3.681 -3.718 -3.777 -3.861 -3.974 -4.123 -4.333 -4.729 -4.873 -5.045 -5.257 -5.526 -5.870 -6.304 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.268 -4.072 -3.928 -3.821 -3.744 -3.693 -3.664 -3.657 -3.670 -3.704 -3.760 -3.839 -3.944 -4.081 -4.268 -4.641 -4.764 -4.907 -5.074 -5.275 -5.518 -5.814 -6.170 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.264 -4.068 -3.924 -3.816 -3.739 -3.686 -3.656 -3.648 -3.659 -3.691 -3.743 -3.818 -3.916 -4.042 -4.210 -4.565 -4.674 -4.798 -4.939 -5.102 -5.292 -5.515 -5.777 -6.080 -6.424 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.261 -4.064 -3.919 -3.811 -3.733 -3.680 -3.649 -3.639 -3.649 -3.678 -3.728 -3.798 -3.889 -4.007 -4.159 -4.499 -4.598 -4.707 -4.830 -4.969 -5.127 -5.307 -5.514 -5.749 -6.015 -6.308 -6.624 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.257 -4.060 -3.915 -3.807 -3.728 -3.674 -3.642 -3.630 -3.638 -3.666 -3.712 -3.779 -3.865 -3.974 -4.113 -4.440 -4.530 -4.629 -4.739 -4.861 -4.997 -5.150 -5.321 -5.514 -5.728 -5.964 -6.219 -6.491 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.254 -4.056 -3.911 -3.802 -3.723 -3.668 -3.635 -3.622 -3.629 -3.654 -3.698 -3.760 -3.842 -3.945 -4.072 -4.386 -4.469 -4.560 -4.660 -4.769 -4.890 -5.023 -5.171 -5.334 -5.513 -5.709 -5.922 -6.148 -6.386 -6.631 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.250 -4.052 -3.907 -3.798 -3.717 -3.662 -3.628 -3.614 -3.619 -3.642 -3.684 -3.743 -3.820 -3.917 -4.036 -4.337 -4.414 -4.498 -4.590 -4.689 -4.798 -4.917 -5.047 -5.189 -5.344 -5.512 -5.693 -5.886 -6.088 -6.299 -6.514 99999.999 99999.999 99999.999 99999.999 99999.999 -4.247 -4.049 -3.903 -3.793 -3.713 -3.656 -3.621 -3.606 -3.610 -3.631 -3.670 -3.726 -3.800 -3.892 -4.003 -4.291 -4.364 -4.442 -4.526 -4.618 -4.717 -4.825 -4.942 -5.068 -5.205 -5.352 -5.510 -5.677 -5.854 -6.037 -6.225 -6.416 -6.607 99999.999 99999.999 99999.999 -4.245 -4.046 -3.899 -3.789 -3.708 -3.651 -3.615 -3.598 -3.600 -3.620 -3.657 -3.711 -3.781 -3.868 -3.974 -4.249 -4.317 -4.390 -4.469 -4.554 -4.645 -4.744 -4.850 -4.964 -5.087 -5.219 -5.359 -5.507 -5.662 -5.824 -5.991 -6.161 -6.332 -6.502 99999.999 99999.999 -4.242 -4.043 -3.895 -3.785 -3.703 -3.645 -3.609 -3.591 -3.592 -3.610 -3.644 -3.695 -3.763 -3.846 -3.947 -4.209 -4.273 -4.342 -4.416 -4.495 -4.580 -4.671 -4.769 -4.873 -4.985 -5.104 -5.230 -5.363 -5.503 -5.648 -5.797 -5.950 -6.104 -6.259 -6.411 -6.561 -4.240 -4.040 -3.892 -3.781 -3.698 -3.640 -3.602 -3.584 -3.583 -3.599 -3.632 -3.681 -3.745 -3.825 -3.921 -4.171 -4.232 -4.297 -4.367 -4.441 -4.520 -4.605 -4.696 -4.792 -4.895 -5.004 -5.119 -5.240 -5.366 -5.498 -5.633 -5.772 -5.912 -6.053 -6.194 -6.332 -4.227 -4.017 -3.863 -3.747 -3.659 -3.594 -3.548 -3.520 -3.507 -3.509 -3.525 -3.554 -3.596 -3.649 -3.714 -3.880 -3.919 -3.960 -4.004 -4.050 -4.098 -4.148 -4.201 -4.257 -4.315 -4.375 -4.438 -4.503 -4.570 -4.640 -4.712 -4.785 -4.860 -4.937 -5.014 -5.093 -4.230 -4.006 -3.845 -3.723 -3.629 -3.558 -3.506 -3.469 -3.447 -3.438 -3.442 -3.456 -3.481 -3.516 -3.561 -3.676 -3.703 -3.732 -3.763 -3.795 -3.828 -3.863 -3.899 -3.937 -3.977 -4.018 -4.061 -4.105 -4.151 -4.198 -4.246 -4.296 -4.347 -4.399 -4.453 -4.507 -4.245 -4.004 -3.834 -3.706 -3.606 -3.530 -3.471 -3.428 -3.399 -3.381 -3.374 -3.377 -3.390 -3.411 -3.440 -3.520 -3.540 -3.561 -3.582 -3.605 -3.629 -3.655 -3.681 -3.709 -3.738 -3.767 -3.798 -3.831 -3.864 -3.898 -3.934 -3.970 -4.008 -4.047 -4.086 -4.127 -4.270 -4.011 -3.831 -3.695 -3.590 -3.508 -3.444 -3.395 -3.359 -3.334 -3.318 -3.312 -3.315 -3.325 -3.342 -3.396 -3.409 -3.424 -3.440 -3.456 -3.474 -3.492 -3.511 -3.532 -3.553 -3.575 -3.598 -3.623 -3.648 -3.674 -3.700 -3.728 -3.757 -3.786 -3.817 -3.848 -4.303 -4.023 -3.832 -3.690 -3.579 -3.491 -3.422 -3.368 -3.326 -3.294 -3.272 -3.258 -3.252 -3.253 -3.260 -3.293 -3.302 -3.312 -3.322 -3.334 -3.347 -3.360 -3.374 -3.389 -3.405 -3.421 -3.438 -3.457 -3.476 -3.495 -3.516 -3.537 -3.560 -3.583 -3.606 -3.631 -4.343 -4.040 -3.839 -3.688 -3.571 -3.479 -3.405 -3.345 -3.298 -3.261 -3.233 -3.212 -3.199 -3.192 -3.191 -3.206 -3.211 -3.218 -3.224 -3.232 -3.240 -3.250 -3.260 -3.270 -3.282 -3.294 -3.307 -3.320 -3.334 -3.350 -3.365 -3.382 -3.399 -3.417 -3.436 -3.456 -4.388 -4.062 -3.849 -3.691 -3.568 -3.470 -3.391 -3.327 -3.275 -3.233 -3.200 -3.173 -3.154 -3.140 -3.133 -3.132 -3.134 -3.137 -3.141 -3.145 -3.150 -3.156 -3.163 -3.170 -3.178 -3.186 -3.195 -3.205 -3.216 -3.227 -3.239 -3.252 -3.266 -3.280 -3.295 -3.310 99999.999 -4.087 -3.862 -3.697 -3.568 -3.465 -3.381 -3.313 -3.256 -3.210 -3.171 -3.140 -3.115 -3.096 -3.082 -3.069 -3.068 -3.068 -3.069 -3.071 -3.073 -3.076 -3.080 -3.084 -3.089 -3.094 -3.101 -3.108 -3.115 -3.123 -3.132 -3.142 -3.152 -3.163 -3.175 -3.187 CuCl2- CuCl2(-1) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 2 1.000 16 2.000 3 -5.660 -5.448 -5.294 -5.182 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.660 -5.448 -5.294 -5.182 -5.105 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.659 -5.448 -5.294 -5.181 -5.104 -5.059 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.659 -5.447 -5.293 -5.181 -5.103 -5.058 -5.044 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.657 -5.446 -5.292 -5.179 -5.102 -5.057 -5.042 -5.059 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.655 -5.444 -5.290 -5.177 -5.100 -5.055 -5.040 -5.056 -5.106 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.652 -5.441 -5.287 -5.174 -5.097 -5.051 -5.036 -5.052 -5.101 -5.189 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.647 -5.436 -5.282 -5.170 -5.092 -5.046 -5.031 -5.046 -5.094 -5.180 -5.314 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.640 -5.430 -5.276 -5.164 -5.086 -5.040 -5.023 -5.038 -5.084 -5.168 -5.299 -5.496 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.632 -5.422 -5.268 -5.156 -5.078 -5.031 -5.014 -5.027 -5.071 -5.152 -5.278 -5.467 -5.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.621 -5.412 -5.258 -5.146 -5.067 -5.020 -5.001 -5.013 -5.055 -5.132 -5.252 -5.431 -5.694 -6.099 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.607 -5.399 -5.246 -5.133 -5.054 -5.005 -4.986 -4.995 -5.034 -5.107 -5.220 -5.387 -5.628 -5.991 -6.645 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.597 -5.389 -5.236 -5.123 -5.044 -4.994 -4.974 -4.981 -5.018 -5.088 -5.196 -5.354 -5.580 -5.915 -6.492 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.583 -5.375 -5.222 -5.109 -5.029 -4.979 -4.957 -4.962 -4.996 -5.061 -5.163 -5.309 -5.516 -5.816 -6.311 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.569 -5.362 -5.209 -5.096 -5.015 -4.964 -4.940 -4.944 -4.975 -5.036 -5.131 -5.267 -5.457 -5.726 -6.156 -7.276 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.556 -5.349 -5.196 -5.083 -5.002 -4.950 -4.925 -4.926 -4.954 -5.011 -5.100 -5.227 -5.402 -5.645 -6.021 -6.587 -7.018 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.543 -5.337 -5.184 -5.070 -4.988 -4.935 -4.909 -4.909 -4.934 -4.988 -5.071 -5.189 -5.350 -5.570 -5.900 -6.368 -6.608 -6.956 -7.522 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.531 -5.324 -5.171 -5.057 -4.975 -4.921 -4.894 -4.892 -4.915 -4.965 -5.043 -5.154 -5.302 -5.502 -5.792 -6.221 -6.402 -6.630 -6.935 -7.366 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.520 -5.313 -5.160 -5.045 -4.963 -4.908 -4.879 -4.875 -4.896 -4.943 -5.016 -5.120 -5.257 -5.439 -5.696 -6.104 -6.256 -6.435 -6.653 -6.929 -7.287 -7.753 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.509 -5.301 -5.148 -5.033 -4.950 -4.895 -4.865 -4.859 -4.878 -4.921 -4.991 -5.087 -5.215 -5.381 -5.610 -6.005 -6.138 -6.290 -6.466 -6.675 -6.929 -7.241 -7.623 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.498 -5.291 -5.137 -5.022 -4.938 -4.882 -4.851 -4.843 -4.860 -4.901 -4.966 -5.057 -5.176 -5.329 -5.532 -5.918 -6.038 -6.171 -6.322 -6.495 -6.695 -6.931 -7.209 -7.536 -7.913 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.488 -5.280 -5.126 -5.011 -4.926 -4.869 -4.837 -4.828 -4.843 -4.880 -4.942 -5.028 -5.139 -5.280 -5.463 -5.840 -5.950 -6.070 -6.203 -6.353 -6.521 -6.713 -6.934 -7.186 -7.473 -7.794 -8.145 99999.999 99999.999 99999.999 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-5.853 -5.955 -6.065 -6.185 -6.313 -6.452 -6.602 -6.762 -6.934 -7.117 -7.309 -7.509 -7.716 -7.925 -8.134 99999.999 99999.999 99999.999 -5.445 -5.232 -5.076 -4.958 -4.871 -4.810 -4.773 -4.757 -4.762 -4.788 -4.834 -4.900 -4.985 -5.089 -5.214 -5.533 -5.611 -5.694 -5.783 -5.879 -5.981 -6.091 -6.209 -6.336 -6.471 -6.615 -6.768 -6.930 -7.100 -7.277 -7.460 -7.645 -7.832 -8.017 99999.999 99999.999 -5.438 -5.223 -5.067 -4.949 -4.861 -4.799 -4.761 -4.743 -4.747 -4.771 -4.814 -4.877 -4.958 -5.058 -5.177 -5.482 -5.556 -5.635 -5.719 -5.808 -5.904 -6.006 -6.116 -6.232 -6.356 -6.487 -6.626 -6.772 -6.925 -7.084 -7.247 -7.414 -7.582 -7.750 -7.916 -8.078 -5.430 -5.215 -5.058 -4.939 -4.851 -4.789 -4.749 -4.730 -4.732 -4.754 -4.795 -4.855 -4.933 -5.029 -5.143 -5.434 -5.504 -5.579 -5.658 -5.743 -5.833 -5.928 -6.030 -6.138 -6.253 -6.373 -6.501 -6.634 -6.774 -6.918 -7.066 -7.218 -7.371 -7.525 -7.677 -7.827 -5.380 -5.146 -4.981 -4.856 -4.762 -4.692 -4.644 -4.614 -4.602 -4.607 -4.628 -4.664 -4.714 -4.778 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-4.184 -4.192 -4.227 -4.237 -4.248 -4.260 -4.273 -4.287 -4.302 -4.318 -4.334 -4.352 -4.371 -4.391 -4.411 -4.433 -4.456 -4.479 -4.504 -4.529 -4.556 -4.584 -4.612 -5.473 -5.065 -4.820 -4.647 -4.516 -4.413 -4.331 -4.265 -4.212 -4.170 -4.138 -4.114 -4.098 -4.089 -4.086 -4.100 -4.105 -4.111 -4.119 -4.127 -4.136 -4.145 -4.156 -4.168 -4.180 -4.193 -4.208 -4.223 -4.239 -4.256 -4.274 -4.292 -4.312 -4.332 -4.354 -4.376 -5.534 -5.082 -4.817 -4.632 -4.492 -4.382 -4.294 -4.223 -4.164 -4.116 -4.077 -4.047 -4.023 -4.006 -3.994 -3.989 -3.991 -3.993 -3.997 -4.001 -4.006 -4.011 -4.018 -4.025 -4.033 -4.042 -4.052 -4.062 -4.074 -4.086 -4.099 -4.113 -4.128 -4.144 -4.161 -4.178 99999.999 -5.106 -4.821 -4.623 -4.474 -4.357 -4.263 -4.186 -4.122 -4.069 -4.024 -3.987 -3.957 -3.933 -3.914 -3.893 -3.892 -3.891 -3.890 -3.891 -3.892 -3.895 -3.898 -3.901 -3.906 -3.911 -3.917 -3.924 -3.932 -3.940 -3.950 -3.960 -3.971 -3.983 -3.995 -4.009 CuCl3-2 CuCl3(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 2 1.000 16 3.000 3 -5.195 -4.753 -4.419 -4.162 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.195 -4.753 -4.419 -4.162 -3.968 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.194 -4.752 -4.418 -4.162 -3.968 -3.826 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.192 -4.751 -4.417 -4.160 -3.966 -3.825 -3.731 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.190 -4.748 -4.414 -4.158 -3.964 -3.823 -3.729 -3.678 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.186 -4.745 -4.411 -4.155 -3.961 -3.820 -3.725 -3.674 -3.666 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.180 -4.739 -4.406 -4.150 -3.956 -3.814 -3.720 -3.668 -3.660 -3.697 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.172 -4.732 -4.398 -4.143 -3.949 -3.807 -3.712 -3.660 -3.651 -3.686 -3.775 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.161 -4.721 -4.388 -4.133 -3.939 -3.797 -3.702 -3.649 -3.638 -3.672 -3.758 -3.911 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-1.580 -1.495 -1.439 -1.406 -1.394 -1.399 -1.419 -1.451 -1.551 -1.575 -1.601 -1.629 -1.657 -1.687 -1.719 -1.751 -1.785 -1.819 -1.855 -1.892 -1.930 -1.969 -2.009 -2.050 -2.092 -2.135 -2.178 -2.223 -2.268 -3.889 -3.243 -2.756 -2.383 -2.097 -1.877 -1.711 -1.586 -1.495 -1.433 -1.394 -1.374 -1.372 -1.384 -1.409 -1.491 -1.512 -1.534 -1.558 -1.582 -1.608 -1.635 -1.664 -1.693 -1.723 -1.755 -1.787 -1.821 -1.855 -1.890 -1.927 -1.964 -2.002 -2.040 -2.080 -2.120 -3.941 -3.286 -2.792 -2.413 -2.121 -1.896 -1.724 -1.594 -1.498 -1.430 -1.385 -1.360 -1.351 -1.357 -1.375 -1.442 -1.459 -1.479 -1.499 -1.520 -1.543 -1.567 -1.592 -1.618 -1.645 -1.673 -1.701 -1.731 -1.762 -1.794 -1.826 -1.859 -1.893 -1.928 -1.964 -2.001 99999.999 -3.330 -2.829 -2.444 -2.146 -1.916 -1.738 -1.603 -1.502 -1.429 -1.380 -1.349 -1.335 -1.334 -1.346 -1.401 -1.416 -1.432 -1.450 -1.469 -1.489 -1.510 -1.532 -1.555 -1.579 -1.604 -1.630 -1.657 -1.684 -1.713 -1.742 -1.773 -1.804 -1.836 -1.868 -1.902 CuF+ CuF(1) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 5 1.000 1 -0.500 2 1.000 16 0.250 31 1.000 23 -22.659 -20.291 -18.350 -16.730 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -22.659 -20.291 -18.350 -16.730 -15.362 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -22.660 -20.291 -18.350 -16.730 -15.362 -14.197 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -22.672 -20.305 -18.364 -16.743 -15.373 -14.206 -13.205 -12.345 -11.606 -10.975 -10.443 -10.011 -9.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -22.677 -20.311 -18.370 -16.748 -15.377 -14.209 -13.208 -12.346 -11.606 -10.972 -10.436 -9.997 -9.665 -9.478 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -22.684 -20.319 -18.377 -16.755 -15.383 -14.214 -13.211 -12.348 -11.605 -10.968 -10.428 -9.982 -9.636 -9.417 -9.463 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -22.689 -20.325 -18.383 -16.760 -15.388 -14.217 -13.213 -12.349 -11.604 -10.965 -10.422 -9.971 -9.616 -9.377 -9.346 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -22.696 -20.334 -18.391 -16.768 -15.394 -14.223 -13.217 -12.351 -11.604 -10.962 -10.414 -9.956 -9.589 -9.328 -9.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -22.704 -20.342 -18.400 -16.775 -15.401 -14.228 -13.221 -12.353 -11.604 -10.959 -10.407 -9.942 -9.565 -9.285 -9.143 -10.133 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -22.712 -20.351 -18.408 -16.783 -15.407 -14.233 -13.225 -12.355 -11.604 -10.956 -10.400 -9.930 -9.544 -9.248 -9.071 -9.139 -9.562 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -22.720 -20.360 -18.417 -16.791 -15.414 -14.239 -13.229 -12.357 -11.604 -10.953 -10.394 -9.919 -9.525 -9.215 -9.011 -8.868 -9.013 -9.299 -9.802 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -22.728 -20.369 -18.425 -16.798 -15.421 -14.244 -13.233 -12.360 -11.604 -10.951 -10.389 -9.909 -9.507 -9.186 -8.959 -8.717 -8.776 -8.899 -9.115 -9.457 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -22.736 -20.378 -18.433 -16.806 -15.427 -14.250 -13.237 -12.362 -11.605 -10.950 -10.384 -9.900 -9.492 -9.160 -8.914 -8.612 -8.629 -8.685 -8.791 -8.965 -9.221 -9.565 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -22.745 -20.386 -18.442 -16.813 -15.434 -14.255 -13.241 -12.365 -11.606 -10.948 -10.380 -9.891 -9.477 -9.136 -8.875 -8.532 -8.525 -8.544 -8.596 -8.689 -8.834 -9.036 -9.297 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -22.753 -20.395 -18.450 -16.821 -15.440 -14.260 -13.245 -12.367 -11.607 -10.947 -10.375 -9.883 -9.464 -9.115 -8.841 -8.467 -8.443 -8.439 -8.459 -8.508 -8.591 -8.713 -8.878 -9.086 -9.332 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -22.761 -20.404 -18.459 -16.829 -15.447 -14.266 -13.249 -12.370 -11.608 -10.946 -10.372 -9.876 -9.453 -9.097 -8.810 -8.413 -8.376 -8.356 -8.356 -8.376 -8.422 -8.496 -8.601 -8.739 -8.909 -9.107 -9.327 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -22.770 -20.413 -18.467 -16.836 -15.454 -14.271 -13.254 -12.373 -11.609 -10.945 -10.369 -9.870 -9.442 -9.080 -8.784 -8.366 -8.320 -8.288 -8.272 -8.274 -8.295 -8.337 -8.403 -8.494 -8.611 -8.752 -8.915 -9.095 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -22.779 -20.422 -18.476 -16.844 -15.460 -14.277 -13.258 -12.376 -11.610 -10.944 -10.366 -9.864 -9.432 -9.065 -8.760 -8.325 -8.271 -8.230 -8.203 -8.190 -8.193 -8.214 -8.253 -8.312 -8.392 -8.492 -8.611 -8.747 -8.896 -9.055 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -22.787 -20.431 -18.484 -16.851 -15.467 -14.283 -13.262 -12.379 -11.612 -10.944 -10.363 -9.859 -9.423 -9.051 -8.740 -8.288 -8.228 -8.180 -8.144 -8.120 -8.110 -8.114 -8.134 -8.171 -8.224 -8.294 -8.380 -8.481 -8.596 -8.720 -8.853 99999.999 99999.999 99999.999 99999.999 99999.999 -22.796 -20.440 -18.492 -16.859 -15.474 -14.288 -13.267 -12.382 -11.613 -10.944 -10.361 -9.854 -9.415 -9.039 -8.721 -8.255 -8.190 -8.136 -8.092 -8.060 -8.039 -8.031 -8.037 -8.056 -8.089 -8.136 -8.198 -8.273 -8.359 -8.457 -8.562 -8.673 -8.789 99999.999 99999.999 99999.999 -22.805 -20.449 -18.501 -16.867 -15.480 -14.294 -13.271 -12.385 -11.615 -10.944 -10.359 -9.849 -9.408 -9.028 -8.705 -8.225 -8.156 -8.096 -8.047 -8.007 -7.978 -7.961 -7.954 -7.960 -7.978 -8.008 -8.050 -8.105 -8.170 -8.244 -8.327 -8.417 -8.511 -8.609 99999.999 99999.999 -22.814 -20.458 -18.509 -16.874 -15.487 -14.299 -13.276 -12.388 -11.616 -10.944 -10.357 -9.845 -9.401 -9.017 -8.690 -8.197 -8.125 -8.061 -8.006 -7.960 -7.925 -7.899 -7.883 -7.878 -7.884 -7.901 -7.928 -7.966 -8.014 -8.070 -8.135 -8.206 -8.283 -8.363 -8.445 -8.529 -22.823 -20.467 -18.518 -16.882 -15.494 -14.305 -13.280 -12.391 -11.618 -10.944 -10.355 -9.841 -9.394 -9.008 -8.677 -8.172 -8.096 -8.028 -7.969 -7.918 -7.877 -7.844 -7.821 -7.808 -7.804 -7.809 -7.825 -7.849 -7.883 -7.925 -7.974 -8.030 -8.091 -8.157 -8.225 -8.295 -22.918 -20.560 -18.603 -16.958 -15.561 -14.362 -13.327 -12.427 -11.641 -10.952 -10.348 -9.816 -9.348 -8.938 -8.578 -7.994 -7.897 -7.807 -7.722 -7.644 -7.572 -7.505 -7.444 -7.388 -7.338 -7.294 -7.254 -7.220 -7.191 -7.166 -7.146 -7.130 -7.119 -7.111 -7.107 -7.106 -23.019 -20.654 -18.689 -17.035 -15.628 -14.420 -13.375 -12.465 -11.669 -10.969 -10.352 -9.807 -9.324 -8.897 -8.518 -7.889 -7.782 -7.680 -7.583 -7.492 -7.406 -7.325 -7.248 -7.176 -7.109 -7.046 -6.988 -6.933 -6.883 -6.836 -6.793 -6.754 -6.718 -6.685 -6.656 -6.629 -23.125 -20.751 -18.775 -17.112 -15.696 -14.480 -13.426 -12.507 -11.701 -10.992 -10.364 -9.808 -9.313 -8.873 -8.481 -7.820 -7.705 -7.596 -7.492 -7.393 -7.298 -7.208 -7.123 -7.042 -6.965 -6.892 -6.822 -6.757 -6.695 -6.637 -6.582 -6.531 -6.482 -6.437 -6.394 -6.355 -23.236 -20.849 -18.863 -17.190 -15.765 -14.540 -13.478 -12.551 -11.737 -11.018 -10.382 -9.816 -9.312 -8.861 -8.458 -7.773 -7.653 -7.538 -7.428 -7.323 -7.223 -7.127 -7.035 -6.948 -6.864 -6.784 -6.708 -6.636 -6.567 -6.501 -6.438 -6.379 -6.323 -6.269 -6.218 -6.170 -23.349 -20.948 -18.951 -17.268 -15.835 -14.601 -13.531 -12.596 -11.774 -11.048 -10.404 -9.830 -9.317 -8.857 -8.445 -7.740 -7.616 -7.497 -7.383 -7.273 -7.168 -7.068 -6.971 -6.879 -6.791 -6.706 -6.625 -6.547 -6.473 -6.401 -6.334 -6.269 -6.207 -6.148 -6.091 -6.037 -23.466 -21.049 -19.040 -17.347 -15.904 -14.663 -13.585 -12.643 -11.814 -11.081 -10.429 -9.848 -9.327 -8.860 -8.439 -7.718 -7.590 -7.468 -7.350 -7.237 -7.129 -7.024 -6.924 -6.828 -6.736 -6.647 -6.562 -6.480 -6.402 -6.327 -6.254 -6.185 -6.119 -6.056 -5.995 -5.937 -23.584 -21.150 -19.129 -17.426 -15.975 -14.725 -13.640 -12.690 -11.855 -11.115 -10.457 -9.869 -9.342 -8.867 -8.440 -7.704 -7.574 -7.448 -7.328 -7.211 -7.100 -6.992 -6.889 -6.790 -6.694 -6.602 -6.514 -6.429 -6.347 -6.269 -6.193 -6.121 -6.051 -5.985 -5.921 -5.859 99999.999 -21.253 -19.219 -17.506 -16.046 -14.788 -13.695 -12.739 -11.897 -11.151 -10.487 -9.893 -9.359 -8.879 -8.445 -7.697 -7.564 -7.435 -7.312 -7.194 -7.079 -6.969 -6.863 -6.761 -6.663 -6.569 -6.477 -6.390 -6.305 -6.224 -6.146 -6.071 -5.998 -5.929 -5.862 -5.798 CuO,aq CuO(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 5 -0.875 1 -0.125 6 1.000 16 0.500 2 0.125 4 13.993 13.335 12.806 12.376 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.993 13.335 12.806 12.376 12.021 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.993 13.335 12.806 12.375 12.021 11.728 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.992 13.334 12.805 12.375 12.020 11.727 11.484 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.990 13.333 12.804 12.373 12.019 11.726 11.483 11.281 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.988 13.331 12.802 12.372 12.017 11.724 11.481 11.279 11.113 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.985 13.328 12.799 12.369 12.015 11.722 11.478 11.276 11.110 10.976 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.981 13.323 12.795 12.365 12.011 11.718 11.475 11.273 11.106 10.972 10.868 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.974 13.317 12.789 12.359 12.006 11.713 11.470 11.268 11.102 10.967 10.862 10.789 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.966 13.309 12.781 12.352 11.998 11.706 11.463 11.261 11.095 10.960 10.854 10.780 10.748 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.955 13.298 12.771 12.342 11.989 11.697 11.455 11.253 11.086 10.951 10.845 10.768 10.731 10.769 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.940 13.284 12.758 12.329 11.977 11.686 11.443 11.242 11.076 10.940 10.833 10.754 10.711 10.725 10.929 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.929 13.274 12.748 12.320 11.968 11.677 11.435 11.234 11.067 10.931 10.823 10.744 10.697 10.700 10.818 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.914 13.258 12.733 12.306 11.955 11.664 11.422 11.222 11.055 10.919 10.811 10.729 10.679 10.670 10.732 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.898 13.243 12.719 12.292 11.942 11.651 11.410 11.210 11.043 10.907 10.798 10.716 10.662 10.645 10.680 12.851 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.882 13.228 12.704 12.278 11.928 11.639 11.398 11.198 11.031 10.895 10.786 10.702 10.647 10.624 10.643 11.553 12.202 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.867 13.213 12.690 12.265 11.915 11.626 11.386 11.186 11.020 10.883 10.773 10.689 10.632 10.606 10.614 11.192 11.488 11.943 12.584 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.851 13.198 12.675 12.251 11.902 11.614 11.374 11.174 11.008 10.871 10.761 10.677 10.618 10.589 10.591 11.003 11.183 11.438 11.792 12.252 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.836 13.183 12.661 12.237 11.889 11.601 11.362 11.162 10.997 10.860 10.750 10.664 10.604 10.572 10.570 10.880 11.005 11.173 11.396 11.687 12.045 12.451 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.820 13.168 12.647 12.224 11.876 11.589 11.350 11.151 10.985 10.848 10.738 10.652 10.591 10.557 10.552 10.789 10.883 11.004 11.161 11.360 11.606 11.899 12.226 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.805 13.153 12.633 12.210 11.864 11.577 11.338 11.139 10.974 10.837 10.726 10.640 10.578 10.542 10.534 10.719 10.792 10.884 11.001 11.147 11.327 11.541 11.788 12.060 12.346 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.790 13.138 12.619 12.197 11.851 11.564 11.326 11.128 10.962 10.826 10.715 10.628 10.565 10.528 10.517 10.662 10.720 10.793 10.885 10.997 11.133 11.296 11.485 11.699 11.931 12.176 12.423 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.774 13.123 12.604 12.183 11.838 11.552 11.314 11.116 10.951 10.815 10.704 10.616 10.552 10.513 10.500 10.614 10.661 10.720 10.794 10.883 10.991 11.119 11.267 11.436 11.624 11.827 12.039 12.255 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.759 13.109 12.590 12.170 11.825 11.540 11.303 11.105 10.940 10.804 10.692 10.604 10.540 10.499 10.484 10.572 10.611 10.660 10.721 10.794 10.881 10.984 11.103 11.240 11.393 11.560 11.739 11.926 12.117 12.308 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.744 13.094 12.576 12.157 11.813 11.528 11.291 11.094 10.929 10.793 10.681 10.593 10.527 10.485 10.468 10.535 10.568 10.609 10.660 10.720 10.793 10.877 10.976 11.088 11.214 11.353 11.503 11.663 11.830 12.000 12.172 99999.999 99999.999 99999.999 99999.999 99999.999 13.729 13.079 12.563 12.144 11.800 11.516 11.279 11.082 10.918 10.782 10.670 10.581 10.515 10.471 10.451 10.503 10.530 10.565 10.608 10.659 10.720 10.791 10.873 10.966 11.071 11.188 11.316 11.453 11.597 11.747 11.900 12.055 12.210 99999.999 99999.999 99999.999 13.714 13.065 12.549 12.130 11.787 11.504 11.268 11.071 10.907 10.771 10.659 10.570 10.503 10.457 10.435 10.473 10.496 10.526 10.562 10.606 10.658 10.718 10.788 10.867 10.956 11.055 11.164 11.281 11.406 11.538 11.674 11.813 11.954 12.094 99999.999 99999.999 13.699 13.050 12.535 12.117 11.775 11.492 11.256 11.060 10.896 10.760 10.648 10.559 10.491 10.444 10.419 10.446 10.466 10.491 10.522 10.560 10.604 10.656 10.716 10.784 10.860 10.945 11.038 11.140 11.248 11.364 11.484 11.608 11.735 11.864 11.993 12.121 13.684 13.036 12.521 12.104 11.762 11.480 11.245 11.049 10.885 10.749 10.637 10.548 10.479 10.431 10.404 10.421 10.438 10.460 10.486 10.519 10.557 10.602 10.654 10.713 10.779 10.853 10.933 11.022 11.116 11.217 11.324 11.435 11.549 11.665 11.783 11.902 13.538 12.893 12.385 11.975 11.639 11.362 11.132 10.940 10.779 10.645 10.534 10.443 10.370 10.314 10.273 10.240 10.241 10.245 10.250 10.259 10.270 10.283 10.300 10.319 10.340 10.364 10.391 10.420 10.452 10.487 10.524 10.564 10.606 10.650 10.697 10.745 13.396 12.755 12.253 11.849 11.519 11.247 11.022 10.834 10.677 10.545 10.436 10.345 10.272 10.213 10.168 10.115 10.111 10.108 10.107 10.107 10.109 10.113 10.119 10.126 10.135 10.145 10.157 10.170 10.185 10.201 10.219 10.237 10.258 10.279 10.301 10.325 13.258 12.619 12.123 11.726 11.402 11.136 10.915 10.731 10.577 10.449 10.342 10.253 10.180 10.120 10.074 10.013 10.006 10.000 9.996 9.993 9.991 9.991 9.992 9.995 9.998 10.003 10.008 10.015 10.023 10.032 10.041 10.052 10.063 10.076 10.089 10.102 13.122 12.486 11.996 11.605 11.287 11.026 10.810 10.630 10.480 10.355 10.250 10.164 10.092 10.033 9.986 9.923 9.914 9.907 9.902 9.897 9.894 9.891 9.890 9.890 9.891 9.893 9.896 9.899 9.904 9.909 9.915 9.922 9.929 9.937 9.946 9.955 12.988 12.355 11.871 11.486 11.174 10.918 10.707 10.531 10.385 10.263 10.161 10.077 10.007 9.949 9.903 9.839 9.831 9.823 9.817 9.811 9.807 9.804 9.802 9.800 9.800 9.800 9.801 9.803 9.806 9.810 9.814 9.818 9.824 9.830 9.836 9.843 12.856 12.226 11.748 11.369 11.063 10.812 10.605 10.434 10.291 10.173 10.074 9.992 9.924 9.868 9.824 9.761 9.752 9.744 9.738 9.732 9.727 9.724 9.721 9.719 9.718 9.718 9.718 9.719 9.721 9.724 9.727 9.731 9.735 9.740 9.745 9.750 12.726 12.099 11.626 11.254 10.953 10.708 10.505 10.338 10.199 10.084 9.988 9.909 9.843 9.789 9.746 9.685 9.677 9.669 9.663 9.657 9.652 9.649 9.646 9.644 9.642 9.642 9.642 9.643 9.644 9.646 9.649 9.652 9.656 9.660 9.665 9.670 99999.999 11.973 11.506 11.140 10.845 10.604 10.407 10.244 10.109 9.997 9.904 9.827 9.764 9.712 9.670 9.612 9.604 9.597 9.590 9.585 9.581 9.577 9.574 9.572 9.571 9.571 9.571 9.571 9.573 9.575 9.577 9.580 9.584 9.587 9.592 9.597 CuO,aq CuO(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 -1.000 1 1.000 16 0.500 2 0.250 31 -5.019 -3.954 -2.998 -2.139 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.019 -3.954 -2.998 -2.139 -1.360 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.020 -3.955 -2.999 -2.139 -1.360 -0.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.021 -3.956 -3.000 -2.140 -1.361 -0.650 0.003 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.023 -3.958 -3.002 -2.142 -1.363 -0.652 0.002 0.608 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.026 -3.961 -3.005 -2.145 -1.366 -0.655 -0.001 0.606 1.174 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.031 -3.966 -3.009 -2.149 -1.370 -0.658 -0.004 0.602 1.170 1.708 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.038 -3.972 -3.015 -2.155 -1.375 -0.664 -0.010 0.597 1.165 1.702 2.218 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.047 -3.981 -3.024 -2.163 -1.383 -0.672 -0.017 0.589 1.157 1.694 2.209 2.715 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.060 -3.993 -3.036 -2.174 -1.394 -0.682 -0.027 0.580 1.147 1.683 2.197 2.700 3.216 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.076 -4.009 -3.051 -2.188 -1.407 -0.695 -0.040 0.567 1.134 1.670 2.182 2.682 3.189 3.758 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.097 -4.029 -3.070 -2.207 -1.425 -0.712 -0.057 0.550 1.117 1.652 2.163 2.660 3.158 3.696 4.446 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.114 -4.045 -3.085 -2.221 -1.439 -0.725 -0.070 0.537 1.104 1.639 2.149 2.643 3.136 3.657 4.301 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.137 -4.068 -3.106 -2.241 -1.458 -0.744 -0.088 0.519 1.086 1.620 2.128 2.620 3.107 3.610 4.181 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.161 -4.090 -3.128 -2.262 -1.478 -0.763 -0.106 0.501 1.068 1.601 2.108 2.598 3.080 3.571 4.103 7.516 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.184 -4.113 -3.149 -2.282 -1.497 -0.782 -0.124 0.483 1.050 1.583 2.089 2.576 3.054 3.537 4.045 5.951 6.890 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.207 -4.135 -3.170 -2.302 -1.516 -0.800 -0.143 0.466 1.032 1.565 2.070 2.556 3.030 3.506 3.997 5.511 6.024 6.728 7.663 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.230 -4.157 -3.191 -2.322 -1.535 -0.819 -0.160 0.448 1.015 1.547 2.051 2.535 3.007 3.477 3.957 5.277 5.651 6.111 6.690 7.400 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.253 -4.179 -3.212 -2.342 -1.555 -0.837 -0.178 0.431 0.997 1.529 2.033 2.516 2.985 3.450 3.922 5.122 5.429 5.784 6.204 6.703 7.285 7.931 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.276 -4.201 -3.233 -2.362 -1.573 -0.855 -0.196 0.413 0.980 1.512 2.015 2.496 2.963 3.425 3.890 5.006 5.275 5.574 5.912 6.299 6.742 7.241 7.783 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.299 -4.223 -3.254 -2.382 -1.592 -0.873 -0.213 0.396 0.963 1.495 1.997 2.478 2.943 3.401 3.860 4.915 5.158 5.422 5.713 6.035 6.395 6.795 7.235 7.706 8.195 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.321 -4.245 -3.275 -2.401 -1.611 -0.891 -0.231 0.379 0.946 1.478 1.980 2.459 2.922 3.377 3.832 4.840 5.065 5.306 5.565 5.846 6.153 6.490 6.856 7.252 7.670 8.102 8.538 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.344 -4.267 -3.295 -2.421 -1.630 -0.909 -0.248 0.362 0.929 1.461 1.962 2.441 2.902 3.354 3.804 4.775 4.988 5.211 5.448 5.701 5.973 6.267 6.583 6.923 7.283 7.660 8.048 8.441 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.367 -4.288 -3.316 -2.440 -1.648 -0.927 -0.266 0.345 0.913 1.444 1.945 2.423 2.883 3.332 3.778 4.719 4.922 5.132 5.353 5.586 5.833 6.096 6.377 6.675 6.992 7.324 7.669 8.022 8.378 8.734 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.389 -4.310 -3.336 -2.460 -1.667 -0.945 -0.283 0.328 0.896 1.427 1.928 2.405 2.863 3.310 3.753 4.669 4.864 5.065 5.273 5.491 5.719 5.960 6.214 6.483 6.765 7.062 7.371 7.689 8.014 8.341 8.668 99999.999 99999.999 99999.999 99999.999 99999.999 -5.411 -4.331 -3.356 -2.479 -1.685 -0.963 -0.300 0.312 0.880 1.411 1.911 2.387 2.844 3.289 3.728 4.624 4.812 5.005 5.204 5.410 5.624 5.848 6.082 6.328 6.585 6.854 7.133 7.422 7.718 8.018 8.321 8.624 8.924 99999.999 99999.999 99999.999 -5.434 -4.353 -3.377 -2.498 -1.704 -0.980 -0.317 0.295 0.863 1.395 1.895 2.370 2.826 3.268 3.703 4.584 4.766 4.952 5.143 5.340 5.543 5.754 5.973 6.200 6.437 6.684 6.940 7.204 7.475 7.752 8.033 8.315 8.597 8.876 99999.999 99999.999 -5.456 -4.374 -3.397 -2.518 -1.722 -0.998 -0.334 0.279 0.847 1.378 1.878 2.353 2.808 3.248 3.680 4.546 4.724 4.905 5.089 5.278 5.473 5.673 5.879 6.093 6.314 6.543 6.780 7.024 7.275 7.531 7.791 8.054 8.318 8.582 8.844 9.103 -5.478 -4.395 -3.417 -2.537 -1.740 -1.015 -0.351 0.262 0.831 1.362 1.862 2.336 2.790 3.228 3.657 4.511 4.685 4.861 5.041 5.223 5.410 5.601 5.798 6.000 6.209 6.424 6.645 6.873 7.106 7.345 7.587 7.833 8.081 8.329 8.577 8.823 -5.696 -4.604 -3.615 -2.724 -1.919 -1.186 -0.515 0.102 0.675 1.208 1.707 2.178 2.625 3.052 3.462 4.249 4.403 4.556 4.708 4.860 5.012 5.164 5.315 5.467 5.620 5.773 5.926 6.080 6.235 6.391 6.547 6.705 6.863 7.021 7.180 7.339 -5.909 -4.807 -3.807 -2.906 -2.092 -1.351 -0.674 -0.051 0.525 1.061 1.562 2.033 2.478 2.900 3.303 4.063 4.209 4.354 4.497 4.638 4.778 4.917 5.055 5.192 5.327 5.462 5.596 5.730 5.862 5.994 6.126 6.257 6.387 6.516 6.645 6.773 -6.117 -5.006 -3.995 -3.083 -2.260 -1.512 -0.828 -0.199 0.382 0.921 1.425 1.897 2.341 2.762 3.162 3.910 4.052 4.193 4.331 4.468 4.603 4.736 4.867 4.997 5.126 5.253 5.379 5.503 5.627 5.749 5.870 5.990 6.108 6.226 6.343 6.458 -6.321 -5.200 -4.178 -3.257 -2.425 -1.669 -0.978 -0.344 0.242 0.785 1.292 1.766 2.212 2.633 3.032 3.774 3.915 4.054 4.190 4.324 4.456 4.586 4.714 4.841 4.966 5.089 5.211 5.331 5.449 5.567 5.682 5.797 5.910 6.022 6.132 6.242 -6.523 -5.392 -4.359 -3.427 -2.586 -1.822 -1.125 -0.485 0.106 0.654 1.164 1.641 2.089 2.511 2.910 3.650 3.790 3.927 4.063 4.195 4.326 4.455 4.581 4.706 4.829 4.950 5.069 5.187 5.303 5.417 5.530 5.642 5.752 5.861 5.968 6.074 -6.721 -5.580 -4.536 -3.595 -2.744 -1.973 -1.269 -0.623 -0.027 0.525 1.039 1.519 1.969 2.393 2.793 3.534 3.673 3.810 3.945 4.077 4.207 4.335 4.460 4.584 4.706 4.826 4.944 5.060 5.175 5.288 5.399 5.509 5.617 5.724 5.830 5.934 -6.918 -5.766 -4.711 -3.760 -2.901 -2.121 -1.410 -0.759 -0.158 0.399 0.916 1.400 1.853 2.279 2.681 3.423 3.562 3.699 3.834 3.966 4.096 4.223 4.348 4.472 4.593 4.712 4.829 4.945 5.059 5.171 5.282 5.391 5.498 5.604 5.708 5.811 99999.999 -5.950 -4.884 -3.923 -3.055 -2.268 -1.550 -0.892 -0.286 0.275 0.796 1.283 1.739 2.167 2.571 3.316 3.456 3.593 3.728 3.860 3.990 4.117 4.243 4.366 4.487 4.606 4.723 4.838 4.952 5.063 5.174 5.282 5.389 5.494 5.598 5.701 CuOH+ CuOH(+1) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 5 0.125 1 0.125 4 1.000 16 0.500 2 -0.125 6 6.581 6.445 6.332 6.239 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.581 6.445 6.332 6.239 6.164 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.581 6.445 6.331 6.239 6.164 6.104 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.580 6.444 6.331 6.238 6.163 6.103 6.055 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.579 6.443 6.330 6.237 6.162 6.102 6.054 6.016 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.577 6.441 6.328 6.236 6.161 6.101 6.052 6.014 5.984 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.575 6.439 6.326 6.233 6.159 6.099 6.050 6.012 5.982 5.959 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.571 6.435 6.322 6.230 6.156 6.095 6.047 6.009 5.979 5.956 5.938 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.566 6.430 6.317 6.225 6.151 6.091 6.043 6.005 5.976 5.952 5.935 5.920 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.558 6.423 6.311 6.219 6.145 6.086 6.038 6.000 5.970 5.947 5.930 5.916 5.901 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.549 6.414 6.302 6.211 6.137 6.078 6.031 5.993 5.964 5.941 5.923 5.910 5.896 5.872 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.537 6.402 6.291 6.201 6.127 6.069 6.022 5.984 5.955 5.933 5.915 5.902 5.890 5.872 5.808 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.528 6.393 6.283 6.192 6.120 6.061 6.014 5.977 5.949 5.926 5.909 5.896 5.884 5.869 5.832 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.515 6.381 6.270 6.181 6.109 6.051 6.004 5.968 5.939 5.917 5.900 5.887 5.876 5.863 5.842 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.501 6.368 6.258 6.169 6.098 6.040 5.994 5.958 5.929 5.908 5.891 5.878 5.867 5.856 5.842 5.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.488 6.355 6.246 6.158 6.087 6.030 5.984 5.948 5.920 5.898 5.882 5.869 5.859 5.848 5.837 5.514 5.283 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.475 6.342 6.234 6.146 6.076 6.019 5.974 5.938 5.911 5.889 5.873 5.861 5.850 5.840 5.830 5.624 5.525 5.367 5.138 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.462 6.329 6.222 6.135 6.065 6.009 5.964 5.929 5.901 5.880 5.864 5.852 5.842 5.832 5.823 5.674 5.615 5.531 5.411 5.251 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.449 6.317 6.210 6.123 6.054 5.998 5.954 5.919 5.892 5.871 5.855 5.843 5.833 5.824 5.814 5.701 5.661 5.607 5.534 5.438 5.317 5.176 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.436 6.304 6.198 6.112 6.043 5.988 5.944 5.909 5.883 5.862 5.846 5.834 5.825 5.815 5.806 5.717 5.688 5.650 5.600 5.537 5.456 5.360 5.249 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.423 6.292 6.186 6.101 6.032 5.977 5.934 5.900 5.873 5.853 5.838 5.826 5.816 5.807 5.798 5.727 5.704 5.676 5.640 5.595 5.538 5.470 5.390 5.301 5.205 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.410 6.279 6.174 6.089 6.021 5.967 5.924 5.890 5.864 5.844 5.829 5.817 5.808 5.799 5.790 5.732 5.714 5.692 5.665 5.631 5.590 5.540 5.481 5.413 5.338 5.259 5.177 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.397 6.267 6.162 6.078 6.011 5.957 5.914 5.881 5.855 5.835 5.820 5.809 5.800 5.791 5.782 5.735 5.721 5.703 5.681 5.655 5.624 5.586 5.541 5.489 5.431 5.367 5.300 5.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.384 6.254 6.150 6.067 6.000 5.947 5.904 5.871 5.846 5.826 5.812 5.801 5.792 5.784 5.775 5.736 5.724 5.710 5.692 5.672 5.647 5.617 5.582 5.542 5.496 5.446 5.391 5.332 5.272 5.211 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.372 6.242 6.138 6.055 5.989 5.936 5.895 5.862 5.836 5.817 5.803 5.792 5.784 5.776 5.768 5.735 5.725 5.714 5.699 5.683 5.663 5.639 5.611 5.580 5.543 5.503 5.458 5.410 5.359 5.306 5.252 99999.999 99999.999 99999.999 99999.999 99999.999 6.359 6.229 6.126 6.044 5.978 5.926 5.885 5.852 5.827 5.808 5.794 5.784 5.776 5.768 5.761 5.734 5.725 5.715 5.704 5.690 5.674 5.655 5.632 5.607 5.577 5.545 5.508 5.468 5.426 5.381 5.335 5.287 5.238 99999.999 99999.999 99999.999 6.346 6.217 6.115 6.033 5.968 5.916 5.875 5.843 5.818 5.800 5.786 5.776 5.768 5.761 5.754 5.731 5.724 5.716 5.706 5.695 5.681 5.665 5.647 5.626 5.603 5.576 5.546 5.513 5.478 5.440 5.400 5.359 5.316 5.273 99999.999 99999.999 6.333 6.205 6.103 6.022 5.957 5.906 5.865 5.834 5.809 5.791 5.777 5.768 5.760 5.754 5.747 5.728 5.722 5.715 5.707 5.697 5.686 5.673 5.658 5.641 5.621 5.599 5.575 5.547 5.518 5.486 5.452 5.417 5.380 5.342 5.303 5.264 6.321 6.192 6.091 6.011 5.947 5.896 5.856 5.824 5.800 5.782 5.769 5.759 5.752 5.746 5.741 5.724 5.719 5.713 5.706 5.698 5.689 5.678 5.666 5.651 5.635 5.617 5.596 5.574 5.549 5.522 5.494 5.463 5.431 5.398 5.365 5.330 6.196 6.071 5.976 5.901 5.842 5.796 5.760 5.732 5.711 5.696 5.685 5.679 5.674 5.672 5.671 5.671 5.670 5.670 5.669 5.669 5.668 5.666 5.665 5.663 5.660 5.657 5.654 5.650 5.646 5.642 5.636 5.631 5.624 5.618 5.610 5.602 6.074 5.952 5.862 5.793 5.740 5.699 5.667 5.643 5.625 5.612 5.604 5.600 5.598 5.598 5.600 5.607 5.609 5.610 5.612 5.614 5.615 5.617 5.619 5.620 5.621 5.623 5.624 5.625 5.626 5.627 5.628 5.628 5.629 5.629 5.630 5.630 5.955 5.836 5.751 5.688 5.640 5.603 5.575 5.555 5.540 5.531 5.525 5.523 5.523 5.526 5.530 5.542 5.544 5.547 5.550 5.553 5.556 5.559 5.562 5.565 5.568 5.572 5.575 5.578 5.581 5.584 5.587 5.590 5.593 5.597 5.600 5.603 5.837 5.721 5.642 5.584 5.541 5.509 5.485 5.469 5.457 5.451 5.448 5.448 5.450 5.455 5.461 5.476 5.480 5.484 5.487 5.491 5.495 5.499 5.503 5.507 5.511 5.515 5.520 5.524 5.528 5.532 5.537 5.541 5.546 5.550 5.554 5.559 5.721 5.608 5.534 5.481 5.443 5.416 5.397 5.384 5.376 5.372 5.372 5.374 5.378 5.385 5.393 5.412 5.416 5.421 5.425 5.430 5.434 5.439 5.444 5.448 5.453 5.458 5.463 5.468 5.473 5.478 5.483 5.488 5.493 5.499 5.504 5.509 5.607 5.496 5.427 5.380 5.347 5.324 5.309 5.300 5.295 5.295 5.297 5.301 5.308 5.316 5.326 5.349 5.354 5.358 5.364 5.369 5.374 5.379 5.384 5.390 5.395 5.401 5.406 5.412 5.417 5.423 5.429 5.434 5.440 5.446 5.452 5.457 5.494 5.386 5.322 5.280 5.252 5.234 5.223 5.217 5.216 5.218 5.223 5.230 5.239 5.249 5.261 5.286 5.292 5.297 5.303 5.309 5.314 5.320 5.326 5.332 5.338 5.344 5.350 5.356 5.362 5.368 5.374 5.380 5.387 5.393 5.399 5.405 99999.999 5.276 5.218 5.181 5.158 5.144 5.137 5.136 5.138 5.143 5.150 5.160 5.171 5.183 5.196 5.225 5.231 5.237 5.243 5.250 5.256 5.262 5.269 5.275 5.281 5.288 5.294 5.301 5.307 5.314 5.320 5.327 5.334 5.340 5.347 5.354 CuOH+ CuOH(+1) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 3 1.000 16 0.500 2 0.250 31 -12.431 -10.845 -9.473 -8.275 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.431 -10.845 -9.473 -8.275 -7.217 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.432 -10.845 -9.474 -8.276 -7.217 -6.274 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.433 -10.846 -9.475 -8.276 -7.218 -6.275 -5.425 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.434 -10.848 -9.476 -8.278 -7.220 -6.276 -5.427 -4.657 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.437 -10.851 -9.479 -8.280 -7.222 -6.278 -5.429 -4.659 -3.955 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.441 -10.855 -9.483 -8.284 -7.226 -6.282 -5.432 -4.662 -3.958 -3.309 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.448 -10.860 -9.488 -8.289 -7.231 -6.287 -5.437 -4.667 -3.963 -3.314 -2.712 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.456 -10.868 -9.496 -8.297 -7.238 -6.293 -5.444 -4.673 -3.969 -3.321 -2.718 -2.154 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.467 -10.879 -9.506 -8.306 -7.247 -6.302 -5.452 -4.682 -3.978 -3.329 -2.727 -2.164 -1.631 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.482 -10.893 -9.520 -8.319 -7.259 -6.314 -5.464 -4.693 -3.989 -3.341 -2.739 -2.177 -1.645 -1.138 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.501 -10.911 -9.537 -8.336 -7.275 -6.329 -5.479 -4.708 -4.003 -3.355 -2.754 -2.193 -1.663 -1.158 -0.675 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.515 -10.926 -9.550 -8.348 -7.287 -6.341 -5.490 -4.719 -4.014 -3.366 -2.766 -2.205 -1.677 -1.174 -0.685 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.536 -10.946 -9.569 -8.366 -7.304 -6.358 -5.506 -4.735 -4.030 -3.382 -2.782 -2.223 -1.696 -1.196 -0.709 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.557 -10.966 -9.588 -8.385 -7.322 -6.374 -5.522 -4.751 -4.046 -3.398 -2.799 -2.240 -1.715 -1.218 -0.735 -0.285 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.578 -10.986 -9.607 -8.403 -7.339 -6.391 -5.539 -4.766 -4.061 -3.414 -2.815 -2.257 -1.734 -1.239 -0.761 -0.088 -0.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.598 -11.005 -9.626 -8.420 -7.356 -6.407 -5.555 -4.782 -4.077 -3.429 -2.830 -2.273 -1.752 -1.260 -0.786 -0.056 0.061 0.151 0.217 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.619 -11.025 -9.645 -8.438 -7.373 -6.424 -5.570 -4.797 -4.092 -3.444 -2.846 -2.289 -1.769 -1.279 -0.811 -0.052 0.083 0.204 0.308 0.399 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.640 -11.045 -9.664 -8.456 -7.390 -6.440 -5.586 -4.813 -4.107 -3.460 -2.861 -2.305 -1.786 -1.298 -0.834 -0.057 0.085 0.219 0.342 0.454 0.557 0.656 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.660 -11.065 -9.682 -8.474 -7.407 -6.456 -5.602 -4.828 -4.122 -3.475 -2.876 -2.321 -1.803 -1.317 -0.856 -0.066 0.080 0.219 0.352 0.476 0.592 0.701 0.807 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.681 -11.084 -9.701 -8.491 -7.424 -6.472 -5.617 -4.843 -4.137 -3.489 -2.891 -2.336 -1.819 -1.334 -0.876 -0.078 0.071 0.214 0.351 0.482 0.606 0.724 0.837 0.946 1.053 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.701 -11.104 -9.719 -8.509 -7.440 -6.488 -5.633 -4.859 -4.152 -3.504 -2.906 -2.352 -1.835 -1.351 -0.896 -0.090 0.060 0.205 0.345 0.480 0.609 0.733 0.852 0.966 1.077 1.185 1.292 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.721 -11.123 -9.738 -8.526 -7.457 -6.504 -5.648 -4.874 -4.167 -3.519 -2.921 -2.367 -1.850 -1.368 -0.914 -0.103 0.047 0.194 0.336 0.473 0.606 0.734 0.857 0.976 1.090 1.201 1.309 1.416 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.742 -11.143 -9.756 -8.544 -7.474 -6.520 -5.664 -4.889 -4.182 -3.533 -2.936 -2.381 -1.865 -1.383 -0.931 -0.117 0.035 0.182 0.325 0.464 0.599 0.729 0.856 0.978 1.096 1.210 1.320 1.428 1.534 1.637 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.762 -11.162 -9.774 -8.561 -7.490 -6.536 -5.679 -4.903 -4.196 -3.548 -2.950 -2.396 -1.880 -1.399 -0.947 -0.131 0.021 0.169 0.313 0.453 0.589 0.722 0.850 0.975 1.095 1.212 1.325 1.435 1.543 1.647 1.748 99999.999 99999.999 99999.999 99999.999 99999.999 -12.782 -11.181 -9.793 -8.578 -7.507 -6.552 -5.694 -4.918 -4.211 -3.562 -2.964 -2.410 -1.895 -1.414 -0.963 -0.144 0.008 0.156 0.300 0.441 0.579 0.712 0.842 0.968 1.091 1.210 1.326 1.438 1.547 1.653 1.756 1.856 1.953 99999.999 99999.999 99999.999 -12.802 -11.200 -9.811 -8.596 -7.523 -6.568 -5.710 -4.933 -4.225 -3.577 -2.978 -2.424 -1.909 -1.428 -0.978 -0.158 -0.006 0.142 0.287 0.429 0.567 0.701 0.832 0.960 1.084 1.205 1.322 1.436 1.547 1.655 1.759 1.861 1.959 2.055 99999.999 99999.999 -12.822 -11.219 -9.829 -8.613 -7.539 -6.583 -5.725 -4.948 -4.240 -3.591 -2.992 -2.438 -1.923 -1.442 -0.992 -0.172 -0.020 0.129 0.274 0.416 0.554 0.689 0.821 0.950 1.075 1.197 1.316 1.432 1.544 1.653 1.760 1.863 1.963 2.060 2.154 2.245 -12.842 -11.239 -9.847 -8.630 -7.556 -6.599 -5.740 -4.962 -4.254 -3.605 -3.006 -2.452 -1.937 -1.456 -1.006 -0.186 -0.034 0.115 0.261 0.403 0.542 0.677 0.810 0.939 1.065 1.188 1.308 1.425 1.538 1.649 1.757 1.862 1.964 2.063 2.158 2.251 -13.039 -11.426 -10.024 -8.798 -7.716 -6.752 -5.887 -5.105 -4.393 -3.741 -3.141 -2.586 -2.070 -1.590 -1.140 -0.320 -0.168 -0.019 0.127 0.270 0.410 0.546 0.680 0.811 0.940 1.066 1.189 1.310 1.429 1.545 1.659 1.771 1.881 1.988 2.094 2.197 -13.231 -11.609 -10.197 -8.962 -7.871 -6.900 -6.029 -5.242 -4.526 -3.872 -3.269 -2.713 -2.196 -1.714 -1.264 -0.445 -0.292 -0.143 0.002 0.145 0.284 0.421 0.555 0.686 0.814 0.940 1.063 1.185 1.304 1.420 1.535 1.648 1.758 1.867 1.974 2.079 -13.420 -11.789 -10.367 -9.121 -8.023 -7.045 -6.168 -5.375 -4.655 -3.997 -3.392 -2.833 -2.315 -1.832 -1.381 -0.561 -0.409 -0.260 -0.114 0.028 0.167 0.304 0.437 0.568 0.696 0.822 0.945 1.066 1.185 1.301 1.416 1.528 1.639 1.747 1.854 1.959 -13.606 -11.965 -10.533 -9.278 -8.171 -7.186 -6.303 -5.505 -4.781 -4.119 -3.511 -2.949 -2.429 -1.945 -1.493 -0.672 -0.519 -0.370 -0.224 -0.082 0.057 0.194 0.327 0.458 0.586 0.712 0.835 0.955 1.074 1.190 1.304 1.416 1.527 1.635 1.741 1.846 -13.789 -12.139 -10.696 -9.432 -8.317 -7.324 -6.435 -5.632 -4.903 -4.237 -3.626 -3.062 -2.540 -2.054 -1.600 -0.777 -0.624 -0.475 -0.329 -0.186 -0.047 0.090 0.223 0.354 0.482 0.607 0.731 0.851 0.970 1.086 1.200 1.312 1.422 1.530 1.636 1.740 -13.971 -12.310 -10.857 -9.584 -8.460 -7.461 -6.565 -5.757 -5.023 -4.353 -3.739 -3.172 -2.647 -2.159 -1.704 -0.878 -0.725 -0.575 -0.429 -0.286 -0.147 -0.010 0.124 0.255 0.383 0.509 0.632 0.752 0.871 0.987 1.101 1.213 1.323 1.431 1.537 1.641 -14.150 -12.479 -11.016 -9.733 -8.602 -7.595 -6.693 -5.879 -5.141 -4.467 -3.849 -3.279 -2.751 -2.261 -1.805 -0.976 -0.822 -0.672 -0.526 -0.382 -0.242 -0.105 0.029 0.160 0.288 0.414 0.537 0.658 0.777 0.893 1.007 1.119 1.229 1.337 1.443 1.547 99999.999 -12.647 -11.173 -9.881 -8.741 -7.727 -6.819 -6.000 -5.257 -4.579 -3.957 -3.384 -2.854 -2.361 -1.902 -1.071 -0.917 -0.766 -0.619 -0.475 -0.335 -0.198 -0.063 0.068 0.197 0.323 0.447 0.568 0.686 0.803 0.917 1.029 1.139 1.247 1.353 1.458 CuO2-2 CuO2(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 5 -2.875 1 -0.125 6 1.000 16 1.500 2 0.125 4 42.544 39.934 37.857 36.177 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.544 39.934 37.857 36.177 34.808 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.543 39.934 37.856 36.176 34.807 33.689 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.541 39.932 37.855 36.175 34.806 33.688 32.778 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.539 39.929 37.852 36.172 34.803 33.685 32.775 32.042 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.534 39.925 37.848 36.168 34.799 33.681 32.770 32.037 31.459 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.527 39.919 37.842 36.162 34.793 33.674 32.764 32.030 31.451 31.015 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.518 39.910 37.833 36.154 34.784 33.665 32.754 32.019 31.439 31.001 30.703 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.504 39.897 37.821 36.142 34.772 33.653 32.741 32.005 31.423 30.982 30.680 30.527 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.487 39.880 37.805 36.126 34.756 33.637 32.724 31.986 31.402 30.957 30.649 30.486 30.495 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.463 39.859 37.784 36.105 34.735 33.615 32.701 31.961 31.374 30.926 30.610 30.435 30.421 30.634 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.433 39.830 37.757 36.078 34.709 33.587 32.672 31.930 31.339 30.885 30.561 30.371 30.331 30.491 31.055 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.410 39.809 37.736 36.058 34.688 33.566 32.649 31.906 31.313 30.855 30.524 30.323 30.265 30.390 30.856 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.377 39.777 37.706 36.028 34.658 33.536 32.617 31.872 31.275 30.812 30.473 30.258 30.176 30.257 30.621 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.344 39.746 37.676 35.999 34.629 33.506 32.586 31.838 31.238 30.770 30.423 30.195 30.092 30.136 30.420 31.411 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.311 39.715 37.646 35.970 34.599 33.476 32.555 31.805 31.202 30.729 30.375 30.136 30.014 30.025 30.243 30.601 31.057 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.279 39.685 37.616 35.940 34.570 33.446 32.524 31.772 31.166 30.689 30.328 30.079 29.940 29.923 30.085 30.315 30.553 30.919 31.529 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.246 39.654 37.587 35.912 34.542 33.417 32.493 31.739 31.131 30.650 30.283 30.024 29.870 29.828 29.942 30.116 30.284 30.511 30.831 31.294 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.214 39.623 37.558 35.883 34.513 33.388 32.463 31.708 31.096 30.611 30.239 29.971 29.804 29.741 29.813 29.957 30.087 30.255 30.474 30.762 31.147 31.652 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.182 39.593 37.528 35.854 34.484 33.359 32.433 31.676 31.062 30.574 30.196 29.921 29.741 29.659 29.696 29.820 29.927 30.061 30.228 30.439 30.705 31.039 31.455 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.150 39.563 37.499 35.826 34.456 33.330 32.404 31.645 31.029 30.537 30.155 29.872 29.682 29.584 29.591 29.699 29.788 29.899 30.036 30.202 30.406 30.653 30.952 31.307 31.718 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.118 39.533 37.470 35.797 34.428 33.302 32.374 31.614 30.996 30.500 30.114 29.825 29.626 29.513 29.495 29.590 29.665 29.759 29.874 30.012 30.177 30.373 30.605 30.876 31.188 31.539 31.923 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.087 39.503 37.442 35.769 34.400 33.273 32.345 31.583 30.963 30.465 30.074 29.780 29.572 29.447 29.409 29.489 29.554 29.635 29.733 29.851 29.989 30.152 30.341 30.559 30.808 31.086 31.393 31.722 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.055 39.473 37.413 35.741 34.372 33.245 32.316 31.553 30.931 30.430 30.036 29.736 29.521 29.386 29.330 29.396 29.452 29.522 29.607 29.709 29.828 29.967 30.127 30.309 30.515 30.744 30.996 31.268 31.556 31.855 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.024 39.443 37.384 35.713 34.345 33.217 32.288 31.523 30.899 30.395 29.998 29.693 29.472 29.328 29.259 29.308 29.356 29.417 29.492 29.581 29.686 29.807 29.945 30.102 30.277 30.472 30.685 30.914 31.159 31.414 31.675 99999.999 99999.999 99999.999 99999.999 99999.999 41.993 39.414 37.356 35.686 34.317 33.190 32.259 31.494 30.867 30.362 29.960 29.652 29.425 29.274 29.193 29.226 29.267 29.320 29.386 29.465 29.558 29.664 29.786 29.923 30.076 30.245 30.429 30.627 30.839 31.060 31.288 31.521 31.753 99999.999 99999.999 99999.999 41.962 39.384 37.327 35.658 34.290 33.162 32.231 31.464 30.836 30.328 29.924 29.611 29.380 29.222 29.133 29.148 29.183 29.230 29.288 29.358 29.440 29.535 29.644 29.766 29.901 30.050 30.212 30.387 30.572 30.767 30.970 31.176 31.385 31.591 99999.999 99999.999 41.931 39.355 37.299 35.631 34.262 33.135 32.203 31.435 30.806 30.295 29.888 29.572 29.336 29.172 29.076 29.073 29.103 29.144 29.196 29.258 29.332 29.417 29.515 29.624 29.745 29.878 30.023 30.179 30.345 30.519 30.700 30.886 31.075 31.263 31.449 31.630 41.900 39.326 37.271 35.603 34.235 33.108 32.175 31.406 30.775 30.263 29.853 29.533 29.293 29.125 29.022 29.002 29.027 29.063 29.108 29.164 29.231 29.308 29.396 29.495 29.604 29.725 29.855 29.996 30.146 30.303 30.467 30.636 30.808 30.981 31.153 31.322 41.600 39.039 36.996 35.335 33.971 32.844 31.908 31.131 30.488 29.958 29.527 29.180 28.908 28.702 28.554 28.413 28.408 28.410 28.419 28.435 28.458 28.488 28.525 28.568 28.618 28.673 28.735 28.803 28.876 28.954 29.037 29.125 29.216 29.311 29.410 29.510 41.312 38.763 36.730 35.077 33.718 32.592 31.655 30.874 30.223 29.682 29.236 28.871 28.577 28.346 28.169 27.957 27.935 27.919 27.909 27.905 27.907 27.915 27.928 27.946 27.970 27.998 28.031 28.069 28.112 28.159 28.210 28.265 28.324 28.387 28.452 28.521 41.033 38.494 36.472 34.827 33.474 32.351 31.415 30.631 29.975 29.427 28.970 28.592 28.283 28.033 27.836 27.576 27.542 27.515 27.493 27.477 27.465 27.459 27.457 27.461 27.469 27.481 27.497 27.518 27.543 27.572 27.604 27.640 27.680 27.723 27.769 27.818 40.762 38.233 36.220 34.584 33.237 32.118 31.183 30.399 29.741 29.187 28.723 28.336 28.015 27.752 27.540 27.244 27.202 27.167 27.136 27.111 27.090 27.074 27.063 27.056 27.053 27.054 27.059 27.069 27.081 27.098 27.118 27.141 27.168 27.198 27.231 27.267 40.498 37.978 35.975 34.347 33.006 31.892 30.960 30.176 29.516 28.960 28.491 28.097 27.767 27.494 27.270 26.947 26.900 26.858 26.821 26.789 26.761 26.738 26.720 26.705 26.694 26.688 26.685 26.685 26.690 26.697 26.709 26.723 26.740 26.761 26.784 26.810 40.238 37.727 35.735 34.116 32.781 31.672 30.743 29.961 29.301 28.743 28.270 27.871 27.535 27.255 27.022 26.678 26.626 26.579 26.537 26.500 26.467 26.438 26.414 26.394 26.377 26.364 26.355 26.350 26.348 26.349 26.353 26.360 26.371 26.384 26.401 26.420 39.982 37.481 35.499 33.889 32.561 31.457 30.532 29.752 29.093 28.534 28.060 27.657 27.317 27.030 26.790 26.429 26.374 26.323 26.277 26.236 26.199 26.166 26.137 26.112 26.091 26.074 26.060 26.050 26.042 26.039 26.038 26.040 26.045 26.053 26.064 26.077 99999.999 37.237 35.267 33.666 32.346 31.247 30.326 29.549 28.891 28.332 27.857 27.452 27.108 26.817 26.572 26.198 26.139 26.086 26.037 25.992 25.952 25.916 25.884 25.855 25.831 25.809 25.792 25.777 25.766 25.758 25.754 25.752 25.753 25.756 25.763 25.772 CuO2-2 CuO2(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 -3.000 1 1.000 16 0.500 2 0.250 31 -21.504 -18.908 -16.581 -14.491 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.504 -18.908 -16.581 -14.491 -12.600 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.504 -18.908 -16.581 -14.492 -12.601 -10.871 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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3.810 4.306 4.824 5.371 5.950 6.567 7.224 7.916 8.638 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.830 -19.221 -16.888 -14.798 -12.914 -11.199 -9.624 -8.165 -6.802 -5.516 -4.295 -3.125 -1.995 -0.892 0.202 2.310 2.750 3.198 3.655 4.126 4.612 5.117 5.645 6.198 6.779 7.387 8.019 8.669 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.852 -19.243 -16.909 -14.819 -12.935 -11.220 -9.647 -8.189 -6.828 -5.546 -4.329 -3.165 -2.042 -0.951 0.124 2.213 2.642 3.077 3.519 3.970 4.432 4.909 5.401 5.911 6.440 6.990 7.557 8.141 8.735 9.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.875 -19.264 -16.929 -14.840 -12.955 -11.242 -9.669 -8.214 -6.855 -5.576 -4.362 -3.203 -2.088 -1.006 0.054 2.123 2.543 2.967 3.396 3.832 4.276 4.731 5.197 5.676 6.169 6.676 7.197 7.731 8.274 8.823 9.373 99999.999 99999.999 99999.999 99999.999 99999.999 -21.896 -19.285 -16.950 -14.860 -12.976 -11.263 -9.691 -8.237 -6.881 -5.605 -4.395 -3.241 -2.131 -1.058 -0.010 2.039 2.451 2.866 3.284 3.708 4.138 4.575 5.021 5.476 5.942 6.418 6.905 7.402 7.906 8.415 8.926 9.435 9.938 99999.999 99999.999 99999.999 -21.918 -19.306 -16.971 -14.880 -12.996 -11.284 -9.713 -8.261 -6.906 -5.633 -4.427 -3.277 -2.173 -1.107 -0.069 1.960 2.365 2.772 3.181 3.595 4.012 4.435 4.865 5.302 5.747 6.199 6.660 7.128 7.602 8.080 8.560 9.039 9.514 9.982 99999.999 99999.999 -21.940 -19.327 -16.991 -14.901 -13.017 -11.305 -9.735 -8.284 -6.931 -5.661 -4.458 -3.312 -2.213 -1.153 -0.123 1.885 2.284 2.684 3.086 3.490 3.897 4.309 4.725 5.147 5.575 6.009 6.449 6.894 7.344 7.798 8.253 8.707 9.159 9.605 10.043 10.469 -21.961 -19.348 -17.011 -14.921 -13.037 -11.325 -9.757 -8.307 -6.956 -5.688 -4.488 -3.346 -2.252 -1.198 -0.174 1.814 2.207 2.601 2.996 3.393 3.791 4.193 4.598 5.008 5.421 5.840 6.263 6.690 7.121 7.554 7.989 8.423 8.855 9.283 9.704 10.116 -22.170 -19.550 -17.208 -15.115 -13.231 -11.523 -9.962 -8.523 -7.188 -5.940 -4.765 -3.653 -2.595 -1.583 -0.611 1.240 1.599 1.955 2.308 2.659 3.008 3.355 3.700 4.045 4.388 4.730 5.072 5.413 5.753 6.092 6.430 6.767 7.103 7.437 7.769 8.099 -22.368 -19.743 -17.395 -15.299 -13.415 -11.708 -10.151 -8.720 -7.396 -6.161 -5.005 -3.914 -2.881 -1.897 -0.958 0.814 1.154 1.489 1.821 2.149 2.474 2.796 3.115 3.431 3.744 4.056 4.365 4.672 4.977 5.281 5.582 5.882 6.179 6.475 6.770 7.062 -22.558 -19.928 -17.575 -15.475 -13.589 -11.883 -10.329 -8.903 -7.586 -6.362 -5.218 -4.143 -3.128 -2.165 -1.249 0.468 0.795 1.118 1.436 1.750 2.060 2.366 2.668 2.968 3.264 3.557 3.847 4.135 4.420 4.703 4.983 5.261 5.537 5.811 6.083 6.353 -22.741 -20.106 -17.748 -15.644 -13.756 -12.050 -10.497 -9.074 -7.763 -6.546 -5.412 -4.349 -3.348 -2.401 -1.502 0.174 0.492 0.805 1.114 1.417 1.717 2.012 2.304 2.591 2.876 3.157 3.434 3.709 3.981 4.250 4.516 4.780 5.042 5.301 5.558 5.813 -22.919 -20.279 -17.916 -15.808 -13.917 -12.210 -10.657 -9.237 -7.929 -6.718 -5.592 -4.538 -3.547 -2.613 -1.727 -0.083 0.229 0.535 0.836 1.132 1.423 1.711 1.994 2.273 2.549 2.821 3.089 3.354 3.616 3.876 4.132 4.386 4.637 4.886 5.132 5.376 -23.093 -20.449 -18.079 -15.967 -14.073 -12.364 -10.811 -9.392 -8.087 -6.880 -5.759 -4.712 -3.730 -2.806 -1.931 -0.311 -0.006 0.295 0.590 0.880 1.166 1.447 1.724 1.996 2.265 2.530 2.792 3.050 3.305 3.557 3.805 4.051 4.295 4.536 4.774 5.010 -23.264 -20.614 -18.239 -16.121 -14.224 -12.513 -10.960 -9.541 -8.237 -7.034 -5.917 -4.876 -3.900 -2.983 -2.118 -0.518 -0.217 0.079 0.369 0.655 0.936 1.212 1.484 1.751 2.015 2.274 2.530 2.783 3.032 3.278 3.521 3.761 3.999 4.233 4.466 4.695 99999.999 -20.777 -18.395 -16.271 -14.371 -12.658 -11.103 -9.685 -8.382 -7.181 -6.067 -5.030 -4.060 -3.149 -2.291 -0.708 -0.410 -0.118 0.169 0.451 0.727 0.999 1.267 1.530 1.790 2.045 2.297 2.545 2.789 3.031 3.269 3.505 3.737 3.967 4.195 4.420 HCuO2- HCuO2(-1) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 5 -1.875 1 -0.125 6 1.000 16 1.500 2 0.125 4 27.863 26.081 24.661 23.512 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.863 26.081 24.661 23.512 22.572 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.862 26.080 24.660 23.512 22.572 21.797 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.861 26.079 24.659 23.511 22.571 21.796 21.154 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.859 26.077 24.658 23.509 22.570 21.795 21.153 20.619 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.856 26.075 24.655 23.507 22.567 21.793 21.151 20.617 20.172 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.852 26.071 24.652 23.503 22.564 21.790 21.148 20.614 20.169 19.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.846 26.065 24.646 23.498 22.559 21.785 21.143 20.609 20.165 19.795 19.490 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.837 26.057 24.639 23.491 22.553 21.779 21.137 20.603 20.159 19.789 19.484 19.234 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.826 26.047 24.629 23.482 22.544 21.770 21.129 20.595 20.151 19.782 19.476 19.225 19.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.811 26.033 24.616 23.470 22.532 21.759 21.118 20.585 20.141 19.771 19.465 19.215 19.016 18.880 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.791 26.015 24.599 23.454 22.517 21.745 21.104 20.572 20.128 19.758 19.452 19.201 19.000 18.855 18.814 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.776 26.001 24.586 23.442 22.505 21.733 21.093 20.561 20.117 19.748 19.442 19.190 18.989 18.838 18.760 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.755 25.981 24.568 23.424 22.489 21.717 21.078 20.546 20.103 19.733 19.427 19.175 18.973 18.818 18.717 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.733 25.961 24.549 23.406 22.472 21.701 21.063 20.531 20.088 19.719 19.413 19.161 18.957 18.800 18.687 19.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.712 25.941 24.530 23.389 22.455 21.685 21.047 20.516 20.073 19.704 19.398 19.146 18.942 18.783 18.665 18.927 19.206 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.690 25.921 24.511 23.371 22.438 21.669 21.032 20.501 20.059 19.690 19.384 19.132 18.927 18.767 18.646 18.751 18.863 19.053 19.332 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.669 25.901 24.493 23.353 22.421 21.653 21.016 20.486 20.044 19.676 19.370 19.117 18.913 18.752 18.629 18.655 18.713 18.809 18.953 19.150 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.647 25.881 24.474 23.336 22.405 21.637 21.001 20.471 20.029 19.661 19.355 19.103 18.898 18.737 18.613 18.590 18.622 18.677 18.761 18.878 19.028 19.204 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.625 25.861 24.455 23.318 22.388 21.621 20.985 20.456 20.015 19.647 19.341 19.089 18.884 18.722 18.598 18.540 18.557 18.591 18.643 18.717 18.816 18.938 19.079 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.604 25.841 24.437 23.300 22.371 21.605 20.970 20.441 20.000 19.633 19.327 19.075 18.870 18.707 18.583 18.499 18.507 18.527 18.561 18.610 18.677 18.763 18.866 18.983 19.108 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.582 25.821 24.418 23.283 22.354 21.589 20.955 20.426 19.986 19.619 19.313 19.061 18.856 18.692 18.568 18.464 18.466 18.477 18.498 18.532 18.579 18.641 18.717 18.807 18.907 19.015 19.126 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.561 25.801 24.399 23.265 22.338 21.573 20.939 20.412 19.971 19.604 19.299 19.047 18.841 18.678 18.552 18.434 18.430 18.435 18.448 18.471 18.505 18.551 18.608 18.676 18.756 18.844 18.938 19.036 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.540 25.781 24.381 23.248 22.321 21.557 20.924 20.397 19.957 19.590 19.285 19.033 18.827 18.663 18.537 18.406 18.399 18.399 18.406 18.422 18.446 18.480 18.523 18.577 18.640 18.711 18.790 18.874 18.963 19.053 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.518 25.761 24.362 23.230 22.304 21.541 20.908 20.382 19.943 19.576 19.271 19.019 18.813 18.648 18.522 18.381 18.371 18.367 18.370 18.380 18.397 18.422 18.456 18.498 18.548 18.606 18.672 18.744 18.820 18.900 18.983 99999.999 99999.999 99999.999 99999.999 99999.999 27.497 25.741 24.343 23.212 22.288 21.525 20.893 20.367 19.928 19.562 19.257 19.005 18.799 18.634 18.506 18.358 18.345 18.338 18.338 18.343 18.355 18.374 18.400 18.433 18.474 18.522 18.576 18.637 18.703 18.773 18.847 18.923 19.001 99999.999 99999.999 99999.999 27.475 25.721 24.325 23.195 22.271 21.509 20.878 20.352 19.914 19.548 19.243 18.991 18.785 18.619 18.490 18.336 18.322 18.312 18.308 18.310 18.318 18.332 18.353 18.379 18.412 18.452 18.497 18.549 18.605 18.667 18.732 18.801 18.871 18.944 99999.999 99999.999 27.454 25.701 24.306 23.177 22.254 21.493 20.863 20.338 19.900 19.534 19.230 18.977 18.771 18.605 18.475 18.316 18.299 18.288 18.282 18.281 18.286 18.296 18.311 18.333 18.360 18.393 18.431 18.475 18.524 18.577 18.635 18.696 18.760 18.826 18.894 18.964 27.433 25.681 24.287 23.160 22.238 21.477 20.847 20.323 19.885 19.520 19.216 18.964 18.757 18.590 18.460 18.296 18.278 18.265 18.257 18.254 18.256 18.263 18.275 18.292 18.314 18.342 18.374 18.412 18.454 18.501 18.552 18.606 18.663 18.724 18.786 18.850 27.220 25.483 24.102 22.985 22.071 21.319 20.695 20.176 19.743 19.382 19.080 18.829 18.623 18.454 18.318 18.133 18.108 18.087 18.069 18.055 18.044 18.037 18.032 18.031 18.033 18.037 18.045 18.055 18.067 18.083 18.100 18.120 18.143 18.168 18.194 18.223 27.009 25.286 23.917 22.811 21.907 21.162 20.545 20.031 19.603 19.246 18.947 18.699 18.494 18.325 18.189 17.997 17.970 17.947 17.926 17.909 17.894 17.882 17.873 17.867 17.863 17.861 17.861 17.864 17.869 17.876 17.884 17.895 17.907 17.921 17.936 17.953 26.799 25.091 23.734 22.638 21.743 21.006 20.395 19.888 19.465 19.112 18.817 18.572 18.369 18.202 18.067 17.874 17.846 17.821 17.800 17.781 17.765 17.752 17.741 17.733 17.726 17.722 17.720 17.720 17.722 17.725 17.731 17.738 17.746 17.756 17.767 17.779 26.591 24.897 23.552 22.467 21.581 20.851 20.248 19.746 19.328 18.979 18.689 18.447 18.247 18.082 17.948 17.757 17.729 17.704 17.683 17.664 17.647 17.633 17.622 17.613 17.606 17.601 17.598 17.596 17.597 17.599 17.603 17.608 17.615 17.623 17.632 17.643 26.385 24.704 23.372 22.297 21.420 20.698 20.101 19.606 19.193 18.849 18.562 18.324 18.127 17.965 17.833 17.645 17.617 17.593 17.571 17.552 17.536 17.522 17.510 17.501 17.494 17.489 17.485 17.484 17.484 17.485 17.489 17.493 17.499 17.507 17.515 17.525 26.180 24.513 23.192 22.128 21.260 20.546 19.956 19.466 19.059 18.720 18.437 18.203 18.009 17.850 17.720 17.536 17.509 17.485 17.464 17.445 17.429 17.415 17.404 17.395 17.388 17.383 17.379 17.378 17.378 17.379 17.382 17.387 17.393 17.400 17.408 17.418 25.976 24.323 23.014 21.960 21.101 20.395 19.812 19.328 18.926 18.592 18.314 18.083 17.893 17.736 17.610 17.429 17.403 17.379 17.359 17.341 17.325 17.312 17.301 17.293 17.286 17.281 17.278 17.276 17.277 17.278 17.282 17.286 17.292 17.300 17.308 17.318 99999.999 24.134 22.838 21.794 20.944 20.246 19.669 19.192 18.795 18.465 18.191 17.964 17.778 17.624 17.500 17.324 17.299 17.276 17.257 17.239 17.224 17.212 17.201 17.193 17.187 17.182 17.180 17.179 17.179 17.181 17.185 17.190 17.196 17.204 17.212 17.222 HCuO2- HCuO2(-1) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 4 -2.000 1 1.000 16 0.500 2 0.250 31 -36.185 -32.761 -29.777 -27.157 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -36.185 -32.761 -29.777 -27.157 -24.836 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -36.185 -32.762 -29.777 -27.157 -24.836 -22.763 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -36.186 -32.762 -29.778 -27.157 -24.837 -22.764 -20.898 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -36.187 -32.763 -29.779 -27.158 -24.838 -22.765 -20.899 -19.206 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -36.189 -32.765 -29.780 -27.160 -24.839 -22.766 -20.900 -19.208 -17.663 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-4.900 -5.284 -5.361 -5.438 -5.516 -5.595 -5.673 -5.753 -5.833 -5.913 -5.994 -6.076 -6.158 -6.240 -6.323 -6.405 -6.488 -6.571 -6.653 -6.735 -6.815 -6.895 -1.489 -1.806 -2.117 -2.406 -2.670 -2.914 -3.141 -3.353 -3.555 -3.749 -3.937 -4.120 -4.300 -4.477 -4.651 -4.996 -5.065 -5.133 -5.202 -5.271 -5.339 -5.408 -5.478 -5.548 -5.617 -5.688 -5.758 -5.829 -5.901 -5.973 -6.045 -6.117 -6.190 -6.262 -6.335 -6.408 -1.343 -1.650 -1.961 -2.251 -2.517 -2.762 -2.988 -3.198 -3.396 -3.585 -3.765 -3.939 -4.108 -4.274 -4.435 -4.751 -4.813 -4.875 -4.937 -4.999 -5.061 -5.123 -5.184 -5.246 -5.308 -5.370 -5.433 -5.495 -5.558 -5.621 -5.685 -5.748 -5.812 -5.877 -5.941 -6.006 -1.207 -1.501 -1.811 -2.102 -2.370 -2.616 -2.842 -3.052 -3.247 -3.432 -3.606 -3.774 -3.935 -4.091 -4.243 -4.537 -4.594 -4.651 -4.708 -4.764 -4.821 -4.877 -4.933 -4.989 -5.045 -5.101 -5.157 -5.213 -5.269 -5.326 -5.382 -5.439 -5.496 -5.554 -5.612 -5.670 -1.079 -1.359 -1.667 -1.959 -2.229 -2.476 -2.702 -2.912 -3.106 -3.288 -3.459 -3.621 -3.776 -3.925 -4.069 -4.345 -4.398 -4.451 -4.504 -4.556 -4.608 -4.660 -4.712 -4.763 -4.815 -4.866 -4.917 -4.968 -5.019 -5.071 -5.122 -5.174 -5.226 -5.278 -5.330 -5.382 -0.957 -1.222 -1.527 -1.820 -2.091 -2.340 -2.568 -2.777 -2.971 -3.151 -3.319 -3.477 -3.628 -3.771 -3.909 -4.170 -4.221 -4.271 -4.320 -4.369 -4.418 -4.466 -4.514 -4.562 -4.610 -4.657 -4.705 -4.752 -4.799 -4.846 -4.894 -4.941 -4.989 -5.036 -5.084 -5.132 -0.841 -1.089 -1.392 -1.685 -1.958 -2.208 -2.437 -2.647 -2.841 -3.020 -3.186 -3.342 -3.488 -3.628 -3.760 -4.010 -4.058 -4.105 -4.152 -4.199 -4.245 -4.290 -4.335 -4.380 -4.425 -4.469 -4.514 -4.558 -4.602 -4.646 -4.690 -4.734 -4.778 -4.822 -4.867 -4.911 99999.999 -0.959 -1.259 -1.554 -1.828 -2.080 -2.310 -2.521 -2.715 -2.893 -3.059 -3.212 -3.356 -3.492 -3.621 -3.861 -3.907 -3.953 -3.997 -4.041 -4.085 -4.128 -4.171 -4.214 -4.256 -4.298 -4.340 -4.381 -4.423 -4.464 -4.506 -4.547 -4.588 -4.630 -4.672 -4.713 Fe+3 Fe(+3) P-T:All Charge = 3. Radius(Å) = 3.46 Alk. = 0.000 Ref: Shock07 5 1.125 1 0.125 4 1.000 11 -0.125 6 -0.500 2 8.979 8.800 8.644 8.507 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.979 8.800 8.644 8.507 8.387 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.979 8.800 8.643 8.506 8.386 8.282 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.979 8.799 8.643 8.506 8.386 8.282 8.193 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.978 8.799 8.643 8.506 8.386 8.281 8.192 8.117 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.978 8.798 8.642 8.505 8.385 8.281 8.191 8.116 8.055 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.977 8.797 8.641 8.504 8.384 8.280 8.190 8.115 8.053 8.005 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.976 8.796 8.640 8.503 8.382 8.278 8.188 8.113 8.051 8.002 7.968 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.974 8.794 8.638 8.501 8.380 8.276 8.186 8.110 8.047 7.998 7.963 7.943 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.972 8.792 8.635 8.498 8.378 8.273 8.182 8.106 8.043 7.993 7.957 7.936 7.922 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.970 8.789 8.632 8.495 8.374 8.269 8.178 8.101 8.038 7.987 7.950 7.927 7.913 7.878 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.967 8.785 8.628 8.490 8.369 8.264 8.173 8.095 8.031 7.979 7.940 7.915 7.899 7.879 7.734 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.964 8.782 8.625 8.487 8.366 8.260 8.169 8.091 8.026 7.973 7.933 7.905 7.888 7.872 7.819 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.961 8.778 8.620 8.482 8.361 8.255 8.163 8.084 8.018 7.965 7.923 7.892 7.872 7.857 7.848 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.958 8.774 8.616 8.478 8.356 8.249 8.157 8.078 8.011 7.956 7.913 7.880 7.856 7.838 7.841 4.544 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.954 8.770 8.612 8.473 8.351 8.244 8.151 8.072 8.004 7.948 7.903 7.868 7.840 7.818 7.819 6.431 5.507 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.951 8.766 8.607 8.469 8.347 8.239 8.146 8.066 7.998 7.941 7.894 7.856 7.825 7.798 7.792 6.887 6.487 5.858 4.966 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.948 8.762 8.603 8.464 8.342 8.234 8.141 8.060 7.991 7.933 7.885 7.845 7.810 7.779 7.764 7.097 6.860 6.522 6.046 5.423 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.945 8.759 8.599 8.460 8.337 8.230 8.135 8.054 7.985 7.926 7.876 7.834 7.797 7.761 7.737 7.218 7.055 6.837 6.546 6.164 5.691 5.156 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.942 8.755 8.595 8.456 8.333 8.225 8.130 8.048 7.978 7.919 7.868 7.824 7.784 7.745 7.712 7.296 7.174 7.018 6.818 6.563 6.245 5.867 5.444 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.940 8.751 8.591 8.452 8.329 8.220 8.125 8.043 7.972 7.912 7.860 7.815 7.773 7.730 7.690 7.349 7.253 7.134 6.986 6.802 6.576 6.305 5.991 5.645 5.282 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.937 8.748 8.587 8.448 8.324 8.216 8.120 8.037 7.966 7.905 7.852 7.806 7.762 7.717 7.671 7.387 7.308 7.213 7.098 6.958 6.788 6.586 6.351 6.084 5.792 5.485 5.173 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.934 8.744 8.584 8.444 8.320 8.211 8.116 8.032 7.960 7.898 7.845 7.797 7.752 7.705 7.655 7.414 7.348 7.270 7.176 7.065 6.932 6.776 6.595 6.387 6.155 5.904 5.639 5.367 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.932 8.741 8.580 8.440 8.316 8.207 8.111 8.027 7.954 7.892 7.838 7.789 7.743 7.695 7.642 7.434 7.377 7.311 7.233 7.142 7.035 6.910 6.766 6.601 6.416 6.211 5.991 5.759 5.519 5.274 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.929 8.737 8.576 8.436 8.312 8.203 8.106 8.022 7.949 7.886 7.831 7.781 7.734 7.685 7.631 7.449 7.399 7.341 7.275 7.199 7.110 7.008 6.890 6.757 6.606 6.439 6.257 6.062 5.855 5.641 5.421 99999.999 99999.999 99999.999 99999.999 99999.999 8.927 8.734 8.573 8.432 8.308 8.198 8.102 8.017 7.943 7.879 7.824 7.774 7.727 7.678 7.623 7.459 7.415 7.364 7.307 7.241 7.166 7.081 6.983 6.873 6.749 6.611 6.459 6.295 6.119 5.934 5.741 5.541 5.337 99999.999 99999.999 99999.999 8.924 8.731 8.569 8.428 8.304 8.194 8.097 8.012 7.938 7.873 7.817 7.767 7.719 7.670 7.616 7.467 7.427 7.382 7.331 7.274 7.209 7.136 7.054 6.961 6.857 6.741 6.614 6.475 6.326 6.167 5.999 5.824 5.643 5.455 99999.999 99999.999 8.922 8.728 8.566 8.424 8.300 8.190 8.093 8.007 7.932 7.868 7.811 7.760 7.712 7.664 7.611 7.472 7.435 7.395 7.350 7.299 7.243 7.179 7.108 7.029 6.940 6.842 6.735 6.617 6.489 6.353 6.207 6.055 5.895 5.729 5.557 5.380 8.920 8.725 8.562 8.421 8.296 8.186 8.088 8.002 7.927 7.862 7.805 7.754 7.706 7.658 7.606 7.475 7.441 7.404 7.364 7.319 7.269 7.213 7.151 7.082 7.006 6.922 6.829 6.728 6.619 6.501 6.376 6.242 6.102 5.956 5.803 5.645 8.900 8.696 8.530 8.387 8.261 8.149 8.048 7.959 7.880 7.810 7.748 7.693 7.642 7.595 7.549 7.454 7.433 7.412 7.390 7.368 7.344 7.320 7.294 7.267 7.239 7.209 7.177 7.144 7.110 7.073 7.034 6.993 6.950 6.905 6.858 6.808 8.885 8.672 8.502 8.357 8.230 8.116 8.014 7.922 7.840 7.766 7.700 7.640 7.587 7.537 7.490 7.402 7.385 7.367 7.350 7.332 7.315 7.297 7.279 7.261 7.243 7.225 7.206 7.187 7.169 7.149 7.130 7.110 7.090 7.070 7.049 7.028 8.874 8.651 8.478 8.331 8.202 8.087 7.983 7.889 7.805 7.728 7.658 7.595 7.538 7.485 7.437 7.347 7.330 7.313 7.297 7.280 7.264 7.248 7.233 7.217 7.202 7.187 7.172 7.157 7.143 7.129 7.115 7.101 7.087 7.074 7.061 7.048 8.865 8.632 8.455 8.307 8.176 8.060 7.955 7.860 7.773 7.694 7.622 7.556 7.495 7.440 7.388 7.295 7.277 7.260 7.244 7.227 7.211 7.195 7.180 7.165 7.150 7.136 7.122 7.108 7.095 7.082 7.069 7.057 7.046 7.034 7.023 7.013 8.859 8.616 8.435 8.284 8.153 8.036 7.930 7.833 7.745 7.664 7.589 7.521 7.457 7.399 7.345 7.247 7.229 7.211 7.194 7.177 7.160 7.144 7.128 7.113 7.098 7.083 7.069 7.055 7.042 7.029 7.017 7.005 6.993 6.982 6.972 6.961 8.854 8.601 8.417 8.264 8.131 8.013 7.906 7.809 7.719 7.637 7.560 7.489 7.424 7.363 7.306 7.203 7.184 7.166 7.148 7.130 7.113 7.096 7.080 7.064 7.048 7.033 7.018 7.004 6.990 6.977 6.964 6.952 6.940 6.928 6.917 6.907 8.850 8.587 8.399 8.245 8.111 7.992 7.885 7.786 7.696 7.612 7.534 7.461 7.393 7.330 7.271 7.164 7.144 7.125 7.106 7.087 7.069 7.052 7.035 7.018 7.002 6.986 6.971 6.956 6.941 6.927 6.914 6.901 6.888 6.876 6.864 6.853 99999.999 8.574 8.383 8.227 8.092 7.972 7.864 7.765 7.673 7.588 7.509 7.435 7.365 7.300 7.239 7.128 7.107 7.087 7.068 7.048 7.030 7.011 6.994 6.976 6.959 6.943 6.927 6.911 6.896 6.881 6.867 6.853 6.840 6.827 6.815 6.803 Fe+3 Fe(+3) P-T:All Charge = 3. Radius(Å) = 3.46 Alk. = 0.000 Ref: Shock07 4 1.000 1 1.000 11 0.250 31 -0.500 2 -10.034 -8.490 -7.161 -6.008 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.034 -8.490 -7.161 -6.008 -4.994 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.034 -8.490 -7.162 -6.008 -4.995 -4.095 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.034 -8.491 -7.162 -6.008 -4.995 -4.096 -3.287 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.035 -8.492 -7.163 -6.009 -4.996 -4.097 -3.288 -2.555 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.037 -8.493 -7.165 -6.011 -4.998 -4.098 -3.290 -2.557 -1.884 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.039 -8.496 -7.167 -6.013 -5.000 -4.101 -3.293 -2.559 -1.887 -1.264 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.043 -8.499 -7.171 -6.017 -5.004 -4.104 -3.296 -2.563 -1.891 -1.268 -0.682 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.047 -8.504 -7.175 -6.021 -5.008 -4.109 -3.301 -2.569 -1.897 -1.275 -0.690 -0.131 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.053 -8.510 -7.181 -6.028 -5.015 -4.115 -3.308 -2.576 -1.905 -1.283 -0.700 -0.144 0.390 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.061 -8.518 -7.190 -6.036 -5.023 -4.124 -3.317 -2.585 -1.915 -1.295 -0.713 -0.160 0.371 0.867 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.071 -8.529 -7.200 -6.046 -5.033 -4.134 -3.328 -2.597 -1.927 -1.309 -0.730 -0.180 0.347 0.849 1.251 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.079 -8.537 -7.208 -6.054 -5.041 -4.142 -3.336 -2.605 -1.937 -1.319 -0.742 -0.196 0.327 0.829 1.301 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.090 -8.548 -7.219 -6.065 -5.052 -4.154 -3.348 -2.618 -1.951 -1.335 -0.760 -0.217 0.300 0.797 1.297 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.101 -8.559 -7.230 -6.076 -5.063 -4.165 -3.360 -2.630 -1.964 -1.349 -0.777 -0.238 0.273 0.764 1.264 -0.790 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.112 -8.571 -7.241 -6.087 -5.074 -4.176 -3.371 -2.643 -1.977 -1.364 -0.793 -0.258 0.247 0.731 1.221 0.829 0.194 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.122 -8.582 -7.252 -6.098 -5.085 -4.187 -3.382 -2.654 -1.990 -1.378 -0.809 -0.278 0.223 0.698 1.175 1.206 1.023 0.643 0.045 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.133 -8.593 -7.263 -6.109 -5.096 -4.198 -3.394 -2.666 -2.002 -1.391 -0.825 -0.296 0.199 0.668 1.131 1.371 1.327 1.195 0.944 0.571 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.143 -8.603 -7.274 -6.119 -5.106 -4.209 -3.405 -2.678 -2.015 -1.405 -0.840 -0.314 0.177 0.639 1.089 1.460 1.479 1.449 1.353 1.180 0.931 0.636 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.154 -8.614 -7.285 -6.130 -5.117 -4.219 -3.415 -2.689 -2.027 -1.418 -0.855 -0.331 0.157 0.613 1.050 1.513 1.566 1.588 1.570 1.502 1.381 1.209 1.002 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.164 -8.625 -7.295 -6.140 -5.127 -4.230 -3.426 -2.700 -2.039 -1.431 -0.869 -0.348 0.137 0.588 1.016 1.545 1.620 1.672 1.697 1.689 1.644 1.559 1.438 1.290 1.130 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.174 -8.635 -7.306 -6.151 -5.137 -4.240 -3.437 -2.711 -2.050 -1.443 -0.883 -0.363 0.119 0.566 0.985 1.565 1.654 1.726 1.778 1.806 1.808 1.780 1.722 1.637 1.530 1.411 1.288 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.184 -8.646 -7.316 -6.161 -5.148 -4.250 -3.447 -2.722 -2.062 -1.456 -0.896 -0.378 0.102 0.546 0.959 1.576 1.675 1.760 1.830 1.883 1.915 1.925 1.911 1.873 1.814 1.737 1.649 1.552 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.194 -8.656 -7.326 -6.171 -5.158 -4.260 -3.457 -2.733 -2.073 -1.468 -0.909 -0.393 0.086 0.528 0.936 1.581 1.688 1.783 1.865 1.934 1.987 2.022 2.039 2.036 2.015 1.975 1.921 1.855 1.781 1.700 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.204 -8.666 -7.336 -6.181 -5.167 -4.270 -3.468 -2.743 -2.084 -1.480 -0.922 -0.407 0.070 0.511 0.916 1.583 1.694 1.797 1.889 1.969 2.037 2.090 2.129 2.152 2.158 2.149 2.124 2.087 2.039 1.981 1.917 99999.999 99999.999 99999.999 99999.999 99999.999 -10.214 -8.676 -7.346 -6.191 -5.177 -4.280 -3.478 -2.754 -2.095 -1.491 -0.935 -0.420 0.056 0.496 0.899 1.581 1.697 1.805 1.904 1.993 2.071 2.138 2.193 2.234 2.262 2.276 2.276 2.264 2.240 2.205 2.162 2.110 2.051 99999.999 99999.999 99999.999 -10.224 -8.686 -7.356 -6.201 -5.187 -4.290 -3.488 -2.764 -2.106 -1.503 -0.947 -0.433 0.042 0.481 0.885 1.577 1.696 1.808 1.912 2.008 2.095 2.172 2.239 2.294 2.338 2.370 2.390 2.398 2.395 2.382 2.358 2.326 2.286 2.237 99999.999 99999.999 -10.233 -8.696 -7.366 -6.210 -5.197 -4.299 -3.497 -2.774 -2.116 -1.514 -0.959 -0.446 0.029 0.468 0.871 1.571 1.693 1.809 1.917 2.018 2.111 2.196 2.272 2.338 2.394 2.440 2.476 2.501 2.515 2.520 2.515 2.501 2.478 2.447 2.408 2.361 -10.243 -8.706 -7.376 -6.220 -5.206 -4.309 -3.507 -2.784 -2.127 -1.525 -0.971 -0.458 0.016 0.455 0.859 1.564 1.688 1.806 1.918 2.023 2.121 2.212 2.295 2.370 2.436 2.493 2.541 2.579 2.609 2.628 2.639 2.641 2.634 2.620 2.597 2.567 -10.335 -8.801 -7.470 -6.312 -5.297 -4.399 -3.599 -2.878 -2.225 -1.628 -1.079 -0.572 -0.103 0.333 0.738 1.463 1.595 1.723 1.848 1.969 2.086 2.200 2.310 2.416 2.518 2.617 2.713 2.804 2.892 2.977 3.057 3.134 3.207 3.276 3.341 3.403 -10.420 -8.890 -7.557 -6.398 -5.381 -4.483 -3.682 -2.963 -2.312 -1.718 -1.174 -0.672 -0.207 0.224 0.626 1.350 1.483 1.613 1.740 1.863 1.983 2.101 2.215 2.327 2.436 2.542 2.646 2.747 2.846 2.943 3.037 3.129 3.219 3.307 3.393 3.477 -10.501 -8.974 -7.640 -6.479 -5.460 -4.561 -3.760 -3.041 -2.391 -1.800 -1.259 -0.761 -0.300 0.127 0.525 1.244 1.376 1.506 1.632 1.755 1.876 1.993 2.108 2.220 2.330 2.437 2.543 2.646 2.747 2.846 2.943 3.039 3.132 3.225 3.315 3.404 -10.578 -9.054 -7.719 -6.555 -5.536 -4.635 -3.833 -3.114 -2.465 -1.875 -1.337 -0.841 -0.384 0.040 0.434 1.146 1.278 1.406 1.532 1.654 1.773 1.890 2.004 2.116 2.225 2.332 2.437 2.540 2.641 2.740 2.837 2.933 3.027 3.119 3.210 3.300 -10.652 -9.131 -7.795 -6.629 -5.607 -4.705 -3.902 -3.183 -2.534 -1.945 -1.408 -0.915 -0.461 -0.040 0.351 1.058 1.188 1.315 1.440 1.561 1.679 1.795 1.908 2.019 2.127 2.233 2.337 2.439 2.539 2.637 2.733 2.828 2.921 3.013 3.103 3.192 -10.723 -9.205 -7.867 -6.700 -5.676 -4.772 -3.968 -3.248 -2.599 -2.011 -1.475 -0.984 -0.531 -0.113 0.276 0.976 1.106 1.232 1.355 1.475 1.592 1.707 1.819 1.929 2.036 2.141 2.244 2.345 2.444 2.541 2.636 2.730 2.822 2.913 3.002 3.090 -10.793 -9.278 -7.938 -6.769 -5.743 -4.837 -4.031 -3.311 -2.662 -2.074 -1.538 -1.048 -0.597 -0.181 0.206 0.901 1.030 1.155 1.277 1.396 1.513 1.626 1.737 1.846 1.952 2.056 2.158 2.258 2.356 2.452 2.546 2.639 2.730 2.820 2.908 2.995 99999.999 -9.349 -8.007 -6.835 -5.807 -4.900 -4.093 -3.371 -2.721 -2.133 -1.598 -1.109 -0.659 -0.244 0.140 0.832 0.960 1.084 1.205 1.323 1.439 1.552 1.662 1.770 1.875 1.978 2.079 2.178 2.275 2.370 2.464 2.555 2.645 2.734 2.821 2.907 FeCl+ FeCl(+) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 2 1.000 11 1.000 3 0.152 0.161 0.083 -0.045 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.152 0.161 0.083 -0.045 -0.206 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.152 0.161 0.083 -0.045 -0.206 -0.394 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.153 0.161 0.083 -0.044 -0.206 -0.393 -0.605 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.153 0.161 0.083 -0.044 -0.205 -0.393 -0.604 -0.837 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.154 0.162 0.084 -0.043 -0.204 -0.392 -0.602 -0.836 -1.092 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.155 0.163 0.085 -0.042 -0.203 -0.390 -0.600 -0.833 -1.089 -1.372 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.157 0.165 0.087 -0.040 -0.201 -0.388 -0.597 -0.829 -1.084 -1.366 -1.683 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.159 0.167 0.089 -0.038 -0.198 -0.384 -0.594 -0.824 -1.078 -1.357 -1.672 -2.036 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.162 0.169 0.092 -0.035 -0.194 -0.380 -0.588 -0.818 -1.069 -1.346 -1.657 -2.014 -2.442 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.166 0.173 0.095 -0.031 -0.190 -0.375 -0.582 -0.810 -1.059 -1.332 -1.638 -1.986 -2.399 -2.916 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.170 0.177 0.099 -0.026 -0.184 -0.368 -0.573 -0.799 -1.045 -1.315 -1.614 -1.952 -2.347 -2.833 -3.522 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.174 0.180 0.103 -0.022 -0.180 -0.363 -0.567 -0.791 -1.035 -1.302 -1.596 -1.927 -2.309 -2.773 -3.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.178 0.184 0.107 -0.017 -0.174 -0.355 -0.558 -0.780 -1.021 -1.284 -1.572 -1.893 -2.258 -2.694 -3.283 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.183 0.188 0.112 -0.012 -0.168 -0.348 -0.549 -0.769 -1.008 -1.267 -1.549 -1.860 -2.211 -2.621 -3.160 -3.716 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.187 0.192 0.116 -0.008 -0.163 -0.342 -0.541 -0.759 -0.995 -1.250 -1.527 -1.830 -2.167 -2.555 -3.050 -3.579 -3.796 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.191 0.196 0.120 -0.003 -0.157 -0.335 -0.533 -0.749 -0.983 -1.234 -1.506 -1.801 -2.127 -2.495 -2.951 -3.504 -3.682 -3.896 -4.223 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.194 0.199 0.124 0.001 -0.152 -0.329 -0.525 -0.739 -0.970 -1.219 -1.486 -1.775 -2.089 -2.440 -2.862 -3.433 -3.600 -3.781 -3.992 -4.271 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.197 0.203 0.127 0.006 -0.147 -0.323 -0.518 -0.730 -0.959 -1.204 -1.467 -1.749 -2.054 -2.389 -2.782 -3.367 -3.526 -3.694 -3.877 -4.084 -4.337 -4.659 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.200 0.206 0.131 0.010 -0.142 -0.317 -0.510 -0.721 -0.947 -1.190 -1.449 -1.725 -2.021 -2.343 -2.710 -3.307 -3.460 -3.619 -3.787 -3.969 -4.172 -4.408 -4.688 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.203 0.209 0.134 0.014 -0.137 -0.311 -0.503 -0.712 -0.937 -1.176 -1.431 -1.703 -1.991 -2.301 -2.647 -3.252 -3.398 -3.551 -3.710 -3.878 -4.059 -4.257 -4.479 -4.731 -5.018 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.206 0.212 0.137 0.018 -0.133 -0.305 -0.496 -0.704 -0.926 -1.163 -1.415 -1.681 -1.963 -2.263 -2.591 -3.200 -3.342 -3.488 -3.641 -3.800 -3.967 -4.145 -4.338 -4.548 -4.780 -5.034 -5.309 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.208 0.214 0.140 0.021 -0.128 -0.300 -0.490 -0.695 -0.916 -1.150 -1.399 -1.661 -1.937 -2.228 -2.541 -3.151 -3.289 -3.431 -3.577 -3.729 -3.887 -4.053 -4.229 -4.415 -4.615 -4.830 -5.060 -5.303 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.210 0.217 0.143 0.025 -0.124 -0.295 -0.483 -0.687 -0.906 -1.138 -1.383 -1.642 -1.912 -2.196 -2.498 -3.106 -3.240 -3.377 -3.519 -3.665 -3.816 -3.973 -4.137 -4.309 -4.490 -4.680 -4.881 -5.092 -5.311 -5.535 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.212 0.219 0.146 0.028 -0.120 -0.290 -0.477 -0.680 -0.896 -1.126 -1.369 -1.623 -1.890 -2.168 -2.459 -3.063 -3.193 -3.327 -3.464 -3.605 -3.751 -3.901 -4.056 -4.218 -4.386 -4.561 -4.743 -4.932 -5.127 -5.326 -5.528 99999.999 99999.999 99999.999 99999.999 99999.999 0.213 0.221 0.149 0.031 -0.116 -0.285 -0.471 -0.672 -0.887 -1.115 -1.355 -1.606 -1.868 -2.141 -2.425 -3.022 -3.149 -3.280 -3.413 -3.550 -3.690 -3.835 -3.984 -4.138 -4.296 -4.460 -4.629 -4.803 -4.981 -5.163 -5.347 -5.531 -5.713 99999.999 99999.999 99999.999 0.215 0.223 0.151 0.034 -0.112 -0.280 -0.465 -0.665 -0.878 -1.103 -1.341 -1.589 -1.848 -2.116 -2.395 -2.983 -3.108 -3.235 -3.365 -3.498 -3.634 -3.774 -3.918 -4.065 -4.216 -4.372 -4.531 -4.694 -4.861 -5.030 -5.200 -5.371 -5.540 -5.707 99999.999 99999.999 0.216 0.225 0.153 0.037 -0.108 -0.275 -0.459 -0.658 -0.869 -1.093 -1.328 -1.573 -1.829 -2.094 -2.367 -2.946 -3.068 -3.193 -3.320 -3.449 -3.582 -3.717 -3.856 -3.998 -4.144 -4.292 -4.444 -4.599 -4.757 -4.916 -5.077 -5.238 -5.398 -5.555 -5.708 -5.856 0.217 0.226 0.156 0.040 -0.105 -0.271 -0.454 -0.651 -0.860 -1.082 -1.315 -1.558 -1.811 -2.072 -2.342 -2.911 -3.031 -3.152 -3.276 -3.403 -3.532 -3.664 -3.799 -3.936 -4.077 -4.220 -4.366 -4.515 -4.665 -4.817 -4.970 -5.123 -5.276 -5.426 -5.573 -5.716 0.217 0.236 0.172 0.063 -0.075 -0.233 -0.406 -0.591 -0.786 -0.991 -1.205 -1.426 -1.655 -1.889 -2.128 -2.625 -2.727 -2.830 -2.935 -3.040 -3.147 -3.255 -3.364 -3.475 -3.587 -3.700 -3.814 -3.930 -4.046 -4.163 -4.281 -4.400 -4.518 -4.637 -4.756 -4.874 0.202 0.233 0.178 0.076 -0.055 -0.205 -0.369 -0.545 -0.729 -0.921 -1.120 -1.325 -1.535 -1.749 -1.968 -2.415 -2.506 -2.598 -2.691 -2.784 -2.878 -2.973 -3.068 -3.164 -3.261 -3.358 -3.457 -3.556 -3.656 -3.756 -3.858 -3.959 -4.062 -4.165 -4.268 -4.372 0.174 0.222 0.176 0.082 -0.042 -0.185 -0.342 -0.509 -0.684 -0.866 -1.052 -1.244 -1.439 -1.639 -1.840 -2.252 -2.335 -2.419 -2.503 -2.587 -2.672 -2.758 -2.844 -2.930 -3.017 -3.104 -3.192 -3.280 -3.369 -3.459 -3.549 -3.639 -3.730 -3.822 -3.914 -4.006 0.137 0.203 0.168 0.082 -0.035 -0.172 -0.322 -0.482 -0.649 -0.821 -0.998 -1.178 -1.362 -1.549 -1.737 -2.119 -2.197 -2.274 -2.352 -2.430 -2.508 -2.586 -2.665 -2.744 -2.824 -2.904 -2.984 -3.064 -3.145 -3.227 -3.308 -3.391 -3.473 -3.556 -3.640 -3.723 0.091 0.179 0.155 0.076 -0.034 -0.164 -0.308 -0.461 -0.621 -0.785 -0.953 -1.125 -1.299 -1.474 -1.652 -2.010 -2.082 -2.155 -2.227 -2.300 -2.373 -2.446 -2.519 -2.592 -2.666 -2.740 -2.814 -2.889 -2.964 -3.039 -3.114 -3.190 -3.266 -3.342 -3.419 -3.496 0.040 0.149 0.136 0.067 -0.036 -0.160 -0.298 -0.445 -0.598 -0.756 -0.917 -1.080 -1.246 -1.412 -1.580 -1.918 -1.986 -2.054 -2.123 -2.191 -2.259 -2.328 -2.397 -2.465 -2.534 -2.604 -2.673 -2.743 -2.813 -2.883 -2.953 -3.024 -3.095 -3.166 -3.237 -3.309 -0.017 0.115 0.115 0.053 -0.043 -0.160 -0.292 -0.433 -0.581 -0.733 -0.887 -1.044 -1.201 -1.360 -1.520 -1.841 -1.905 -1.969 -2.034 -2.099 -2.163 -2.228 -2.293 -2.358 -2.423 -2.488 -2.554 -2.619 -2.685 -2.751 -2.817 -2.884 -2.951 -3.018 -3.085 -3.153 99999.999 0.078 0.090 0.037 -0.052 -0.164 -0.290 -0.426 -0.568 -0.714 -0.863 -1.013 -1.164 -1.316 -1.468 -1.774 -1.835 -1.897 -1.958 -2.019 -2.081 -2.142 -2.204 -2.266 -2.328 -2.390 -2.452 -2.514 -2.576 -2.639 -2.702 -2.765 -2.828 -2.892 -2.956 -3.020 FeCl2,aq FeCl2(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 2 1.000 11 2.000 3 9.649 8.172 6.781 5.490 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.649 8.172 6.781 5.490 4.285 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.649 8.172 6.782 5.490 4.285 3.150 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.650 8.173 6.782 5.491 4.286 3.151 2.069 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.651 8.174 6.784 5.492 4.287 3.152 2.071 1.027 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.653 8.175 6.785 5.494 4.289 3.155 2.074 1.031 0.011 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.656 8.178 6.788 5.497 4.292 3.158 2.078 1.037 0.018 -0.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.660 8.182 6.792 5.501 4.297 3.164 2.085 1.044 0.027 -0.986 -2.022 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.666 8.187 6.797 5.507 4.303 3.171 2.094 1.055 0.041 -0.968 -1.998 -3.087 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.673 8.194 6.804 5.514 4.312 3.181 2.105 1.069 0.058 -0.945 -1.967 -3.041 -4.222 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.683 8.202 6.813 5.523 4.322 3.193 2.120 1.087 0.081 -0.916 -1.927 -2.984 -4.134 -5.468 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.694 8.213 6.824 5.535 4.336 3.209 2.138 1.110 0.109 -0.880 -1.878 -2.914 -4.028 -5.297 -6.960 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.703 8.221 6.832 5.544 4.346 3.220 2.153 1.127 0.131 -0.853 -1.842 -2.863 -3.951 -5.175 -6.743 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.715 8.232 6.844 5.557 4.360 3.237 2.172 1.151 0.160 -0.815 -1.792 -2.792 -3.848 -5.013 -6.463 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.726 8.243 6.855 5.569 4.374 3.253 2.191 1.175 0.189 -0.778 -1.744 -2.726 -3.751 -4.866 -6.213 -8.028 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.737 8.253 6.865 5.581 4.387 3.269 2.210 1.197 0.217 -0.743 -1.698 -2.664 -3.662 -4.732 -5.989 -7.607 -8.195 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.747 8.263 6.876 5.592 4.400 3.284 2.228 1.219 0.244 -0.710 -1.655 -2.605 -3.579 -4.609 -5.788 -7.418 -7.888 -8.445 -9.249 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.757 8.273 6.886 5.603 4.413 3.298 2.246 1.240 0.270 -0.678 -1.613 -2.549 -3.502 -4.496 -5.607 -7.256 -7.691 -8.159 -8.697 -9.379 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.766 8.282 6.896 5.614 4.425 3.313 2.263 1.261 0.295 -0.646 -1.573 -2.497 -3.430 -4.394 -5.446 -7.112 -7.525 -7.958 -8.423 -8.943 -9.559 -10.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.774 8.291 6.905 5.625 4.437 3.327 2.279 1.281 0.319 -0.616 -1.535 -2.448 -3.364 -4.300 -5.301 -6.982 -7.379 -7.789 -8.219 -8.678 -9.182 -9.753 -10.417 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.782 8.299 6.914 5.635 4.448 3.340 2.295 1.300 0.342 -0.587 -1.499 -2.401 -3.301 -4.214 -5.173 -6.863 -7.247 -7.640 -8.047 -8.473 -8.924 -9.412 -9.949 -10.548 -11.215 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.790 8.307 6.923 5.644 4.460 3.353 2.311 1.319 0.365 -0.559 -1.464 -2.356 -3.244 -4.136 -5.059 -6.754 -7.126 -7.506 -7.897 -8.300 -8.720 -9.163 -9.634 -10.142 -10.692 -11.287 -11.924 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.797 8.315 6.931 5.654 4.470 3.366 2.326 1.337 0.387 -0.532 -1.431 -2.314 -3.190 -4.065 -4.958 -6.652 -7.015 -7.384 -7.760 -8.147 -8.546 -8.960 -9.392 -9.848 -10.330 -10.842 -11.382 -11.949 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.803 8.322 6.939 5.663 4.481 3.378 2.341 1.355 0.409 -0.506 -1.398 -2.274 -3.139 -4.000 -4.869 -6.557 -6.911 -7.270 -7.636 -8.009 -8.392 -8.785 -9.192 -9.614 -10.053 -10.513 -10.992 -11.489 -12.003 -12.525 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.810 8.329 6.947 5.672 4.491 3.391 2.355 1.372 0.430 -0.481 -1.367 -2.236 -3.092 -3.941 -4.790 -6.467 -6.814 -7.165 -7.521 -7.883 -8.252 -8.630 -9.018 -9.416 -9.827 -10.251 -10.689 -11.140 -11.602 -12.073 -12.547 99999.999 99999.999 99999.999 99999.999 99999.999 9.815 8.335 6.955 5.681 4.501 3.402 2.369 1.389 0.450 -0.456 -1.338 -2.200 -3.048 -3.886 -4.721 -6.382 -6.722 -7.066 -7.413 -7.766 -8.124 -8.489 -8.862 -9.243 -9.633 -10.032 -10.441 -10.860 -11.286 -11.718 -12.154 -12.588 -13.017 99999.999 99999.999 99999.999 9.821 8.342 6.962 5.689 4.511 3.414 2.383 1.405 0.470 -0.432 -1.309 -2.165 -3.006 -3.835 -4.658 -6.302 -6.636 -6.972 -7.313 -7.657 -8.006 -8.360 -8.721 -9.087 -9.461 -9.842 -10.230 -10.624 -11.024 -11.429 -11.835 -12.241 -12.643 -13.037 99999.999 99999.999 9.825 8.348 6.969 5.697 4.521 3.425 2.396 1.421 0.489 -0.409 -1.281 -2.132 -2.966 -3.788 -4.601 -6.225 -6.553 -6.884 -7.218 -7.554 -7.895 -8.240 -8.590 -8.945 -9.306 -9.672 -10.043 -10.420 -10.800 -11.184 -11.568 -11.952 -12.333 -12.708 -13.073 -13.427 9.830 8.353 6.975 5.705 4.530 3.436 2.409 1.437 0.508 -0.386 -1.254 -2.099 -2.928 -3.743 -4.548 -6.152 -6.475 -6.800 -7.128 -7.458 -7.791 -8.128 -8.469 -8.815 -9.164 -9.518 -9.876 -10.238 -10.603 -10.970 -11.338 -11.705 -12.069 -12.428 -12.779 -13.121 9.853 8.395 7.029 5.770 4.609 3.530 2.522 1.573 0.672 -0.190 -1.019 -1.822 -2.602 -3.362 -4.106 -5.560 -5.847 -6.133 -6.420 -6.706 -6.992 -7.278 -7.565 -7.852 -8.140 -8.428 -8.717 -9.007 -9.297 -9.587 -9.877 -10.167 -10.456 -10.744 -11.031 -11.315 9.845 8.412 7.062 5.817 4.668 3.603 2.611 1.680 0.801 -0.035 -0.836 -1.606 -2.349 -3.070 -3.772 -5.127 -5.391 -5.655 -5.917 -6.177 -6.437 -6.695 -6.953 -7.211 -7.467 -7.724 -7.979 -8.235 -8.490 -8.746 -9.000 -9.255 -9.509 -9.763 -10.016 -10.269 9.810 8.410 7.079 5.847 4.711 3.660 2.681 1.766 0.905 0.089 -0.687 -1.431 -2.147 -2.837 -3.506 -4.788 -5.037 -5.283 -5.528 -5.771 -6.013 -6.253 -6.491 -6.729 -6.965 -7.200 -7.435 -7.668 -7.901 -8.134 -8.365 -8.596 -8.827 -9.057 -9.287 -9.516 9.756 8.393 7.082 5.865 4.742 3.703 2.737 1.836 0.990 0.192 -0.566 -1.288 -1.980 -2.646 -3.288 -4.513 -4.749 -4.983 -5.215 -5.445 -5.673 -5.899 -6.123 -6.346 -6.568 -6.788 -7.006 -7.224 -7.441 -7.657 -7.872 -8.086 -8.299 -8.512 -8.725 -8.936 9.685 8.363 7.073 5.872 4.761 3.734 2.781 1.892 1.060 0.276 -0.465 -1.169 -1.842 -2.487 -3.107 -4.284 -4.510 -4.735 -4.956 -5.175 -5.393 -5.608 -5.821 -6.032 -6.242 -6.450 -6.657 -6.863 -7.067 -7.270 -7.472 -7.674 -7.874 -8.074 -8.273 -8.471 9.601 8.323 7.055 5.870 4.772 3.757 2.815 1.938 1.118 0.347 -0.380 -1.069 -1.725 -2.352 -2.953 -4.091 -4.309 -4.525 -4.738 -4.948 -5.157 -5.363 -5.567 -5.769 -5.970 -6.169 -6.366 -6.562 -6.756 -6.949 -7.141 -7.332 -7.523 -7.712 -7.900 -8.088 9.506 8.274 7.029 5.860 4.775 3.772 2.841 1.974 1.165 0.406 -0.309 -0.984 -1.626 -2.237 -2.823 -3.926 -4.137 -4.345 -4.551 -4.755 -4.956 -5.154 -5.351 -5.546 -5.738 -5.929 -6.119 -6.306 -6.493 -6.678 -6.862 -7.045 -7.226 -7.407 -7.587 -7.766 99999.999 8.218 6.997 5.843 4.772 3.780 2.859 2.003 1.204 0.456 -0.248 -0.912 -1.541 -2.139 -2.710 -3.784 -3.989 -4.191 -4.391 -4.588 -4.782 -4.975 -5.165 -5.353 -5.539 -5.724 -5.906 -6.087 -6.267 -6.445 -6.623 -6.799 -6.973 -7.147 -7.320 -7.493 FeCl+2 FeCl(2) P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 6 1.125 1 -0.125 6 -0.500 2 1.000 11 1.000 3 0.125 4 7.513 7.320 7.076 6.810 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.513 7.320 7.076 6.810 6.532 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.513 7.320 7.076 6.810 6.531 6.245 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.513 7.319 7.076 6.809 6.531 6.245 5.953 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.512 7.319 7.075 6.809 6.531 6.245 5.953 5.653 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.512 7.318 7.074 6.808 6.530 6.245 5.953 5.653 5.345 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.511 7.316 7.073 6.807 6.529 6.244 5.952 5.654 5.346 5.024 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.509 7.315 7.071 6.805 6.528 6.243 5.952 5.654 5.347 5.026 4.684 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.507 7.312 7.068 6.803 6.526 6.242 5.951 5.654 5.348 5.030 4.690 4.314 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.504 7.308 7.065 6.800 6.524 6.240 5.950 5.654 5.350 5.034 4.697 4.328 3.896 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.500 7.303 7.060 6.796 6.520 6.238 5.949 5.655 5.352 5.039 4.707 4.344 3.928 3.392 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.495 7.297 7.054 6.791 6.516 6.235 5.948 5.655 5.355 5.045 4.718 4.364 3.964 3.471 2.679 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.490 7.292 7.050 6.787 6.513 6.232 5.946 5.655 5.357 5.049 4.726 4.378 3.989 3.522 2.846 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.484 7.285 7.043 6.781 6.508 6.229 5.944 5.655 5.359 5.055 4.737 4.397 4.022 3.583 3.000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.478 7.278 7.036 6.775 6.503 6.225 5.942 5.655 5.361 5.060 4.746 4.414 4.051 3.635 3.110 -0.086 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.471 7.271 7.029 6.769 6.498 6.221 5.940 5.654 5.363 5.065 4.755 4.429 4.077 3.680 3.197 1.560 0.605 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.465 7.264 7.023 6.763 6.493 6.217 5.937 5.654 5.365 5.069 4.764 4.443 4.100 3.719 3.269 1.999 1.503 0.788 -0.247 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.458 7.256 7.016 6.757 6.488 6.213 5.935 5.653 5.366 5.073 4.771 4.456 4.121 3.754 3.331 2.236 1.882 1.432 0.843 0.071 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.451 7.249 7.009 6.750 6.483 6.209 5.932 5.652 5.367 5.077 4.779 4.468 4.140 3.785 3.383 2.395 2.109 1.769 1.356 0.846 0.220 -0.522 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.445 7.242 7.002 6.744 6.477 6.205 5.930 5.651 5.368 5.080 4.785 4.479 4.158 3.813 3.430 2.514 2.268 1.987 1.661 1.278 0.824 0.291 -0.321 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.437 7.234 6.995 6.738 6.472 6.201 5.927 5.650 5.369 5.083 4.791 4.490 4.174 3.839 3.470 2.609 2.388 2.144 1.870 1.558 1.200 0.789 0.321 -0.203 -0.772 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.430 7.227 6.988 6.732 6.467 6.197 5.924 5.648 5.369 5.086 4.797 4.499 4.189 3.861 3.506 2.687 2.486 2.266 2.025 1.758 1.459 1.122 0.746 0.326 -0.133 -0.626 -1.143 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.423 7.219 6.980 6.725 6.461 6.193 5.921 5.647 5.369 5.088 4.802 4.508 4.203 3.882 3.538 2.753 2.566 2.365 2.148 1.911 1.650 1.363 1.047 0.698 0.317 -0.093 -0.529 -0.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.416 7.211 6.973 6.719 6.456 6.188 5.918 5.645 5.370 5.090 4.806 4.516 4.215 3.901 3.567 2.811 2.635 2.448 2.249 2.033 1.801 1.548 1.272 0.973 0.648 0.299 -0.073 -0.464 -0.868 -1.282 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.408 7.203 6.966 6.712 6.451 6.184 5.915 5.643 5.369 5.092 4.811 4.523 4.227 3.918 3.592 2.862 2.695 2.519 2.333 2.135 1.923 1.695 1.449 1.185 0.901 0.597 0.274 -0.066 -0.421 -0.786 -1.158 99999.999 99999.999 99999.999 99999.999 99999.999 7.401 7.196 6.959 6.706 6.445 6.180 5.912 5.641 5.369 5.094 4.815 4.530 4.237 3.934 3.615 2.907 2.748 2.581 2.406 2.221 2.024 1.816 1.593 1.355 1.101 0.832 0.546 0.245 -0.069 -0.393 -0.726 -1.063 -1.403 99999.999 99999.999 99999.999 7.393 7.188 6.951 6.699 6.439 6.175 5.908 5.640 5.369 5.095 4.819 4.536 4.247 3.949 3.636 2.948 2.795 2.636 2.470 2.295 2.112 1.918 1.712 1.495 1.265 1.021 0.764 0.495 0.214 -0.078 -0.377 -0.682 -0.991 -1.301 99999.999 99999.999 7.385 7.180 6.944 6.693 6.434 6.171 5.905 5.638 5.368 5.097 4.822 4.542 4.257 3.962 3.655 2.985 2.838 2.685 2.527 2.361 2.187 2.005 1.814 1.613 1.401 1.178 0.944 0.700 0.445 0.181 -0.091 -0.369 -0.651 -0.936 -1.221 -1.505 7.377 7.172 6.937 6.686 6.428 6.166 5.902 5.635 5.368 5.098 4.825 4.548 4.265 3.975 3.673 3.019 2.877 2.730 2.577 2.419 2.254 2.082 1.902 1.714 1.517 1.311 1.095 0.871 0.637 0.395 0.147 -0.108 -0.368 -0.630 -0.894 -1.158 7.293 7.090 6.861 6.619 6.370 6.118 5.864 5.610 5.355 5.100 4.845 4.588 4.329 4.067 3.801 3.252 3.138 3.022 2.905 2.786 2.666 2.543 2.418 2.290 2.161 2.029 1.894 1.757 1.618 1.476 1.332 1.186 1.038 0.888 0.736 0.583 7.201 7.003 6.782 6.549 6.309 6.066 5.821 5.577 5.334 5.091 4.849 4.607 4.365 4.122 3.879 3.385 3.285 3.184 3.083 2.981 2.878 2.775 2.670 2.565 2.459 2.352 2.244 2.135 2.025 1.914 1.803 1.690 1.577 1.463 1.348 1.233 7.103 6.912 6.700 6.476 6.245 6.011 5.775 5.540 5.306 5.074 4.843 4.613 4.384 4.156 3.928 3.472 3.381 3.289 3.197 3.105 3.013 2.920 2.827 2.734 2.640 2.546 2.452 2.357 2.262 2.167 2.071 1.975 1.878 1.782 1.685 1.588 6.999 6.819 6.616 6.401 6.179 5.953 5.726 5.500 5.274 5.051 4.829 4.609 4.391 4.174 3.959 3.531 3.446 3.360 3.275 3.190 3.105 3.019 2.934 2.849 2.763 2.678 2.592 2.506 2.420 2.334 2.248 2.162 2.076 1.989 1.903 1.816 6.892 6.722 6.531 6.325 6.111 5.894 5.675 5.456 5.239 5.023 4.810 4.599 4.389 4.182 3.977 3.572 3.491 3.411 3.330 3.250 3.170 3.091 3.011 2.931 2.852 2.772 2.692 2.613 2.533 2.454 2.374 2.295 2.216 2.136 2.057 1.977 6.781 6.624 6.443 6.247 6.042 5.833 5.621 5.410 5.200 4.992 4.786 4.583 4.382 4.183 3.986 3.599 3.522 3.446 3.370 3.294 3.218 3.143 3.067 2.992 2.917 2.842 2.767 2.692 2.617 2.543 2.468 2.394 2.319 2.245 2.171 2.096 6.667 6.524 6.354 6.167 5.971 5.770 5.566 5.362 5.159 4.958 4.759 4.562 4.368 4.177 3.988 3.617 3.543 3.470 3.397 3.325 3.252 3.180 3.108 3.037 2.965 2.894 2.823 2.752 2.681 2.610 2.539 2.469 2.398 2.328 2.257 2.187 99999.999 6.423 6.263 6.086 5.899 5.705 5.509 5.312 5.116 4.921 4.729 4.539 4.351 4.166 3.984 3.626 3.556 3.486 3.416 3.346 3.277 3.208 3.139 3.070 3.001 2.933 2.865 2.797 2.729 2.662 2.594 2.526 2.459 2.392 2.325 2.257 FeCl+2 FeCl(2) P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 5 1.000 1 0.250 31 -0.500 2 1.000 11 1.000 3 -11.499 -9.970 -8.729 -7.704 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.499 -9.970 -8.729 -7.704 -6.849 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.499 -9.970 -8.729 -7.705 -6.850 -6.132 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.500 -9.971 -8.730 -7.705 -6.850 -6.132 -5.527 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.501 -9.972 -8.731 -7.706 -6.851 -6.133 -5.528 -5.019 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.503 -9.974 -8.733 -7.708 -6.853 -6.134 -5.529 -5.020 -4.594 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.506 -9.977 -8.735 -7.710 -6.855 -6.136 -5.531 -5.021 -4.594 -4.244 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.509 -9.981 -8.739 -7.714 -6.858 -6.139 -5.533 -5.022 -4.595 -4.244 -3.966 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.515 -9.986 -8.745 -7.719 -6.863 -6.143 -5.536 -5.025 -4.596 -4.243 -3.963 -3.760 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-1.701 -1.669 -1.639 FeF+ FeF(1) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 2 1.000 11 1.000 23 -1.463 -1.427 -1.479 -1.581 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.463 -1.427 -1.479 -1.581 -1.715 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.463 -1.427 -1.479 -1.580 -1.715 -1.876 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-1.394 -1.446 -1.543 -1.671 -1.823 -1.994 -2.184 -2.394 -2.623 -2.875 -3.156 -3.472 -3.842 -4.325 -4.715 -4.871 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.420 -1.390 -1.442 -1.538 -1.666 -1.816 -1.986 -2.174 -2.381 -2.606 -2.853 -3.125 -3.429 -3.778 -4.220 -4.667 -4.814 -4.985 -5.263 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.416 -1.386 -1.438 -1.534 -1.660 -1.809 -1.978 -2.164 -2.368 -2.590 -2.832 -3.097 -3.389 -3.719 -4.125 -4.608 -4.753 -4.906 -5.084 -5.325 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.412 -1.383 -1.434 -1.529 -1.655 -1.803 -1.970 -2.154 -2.355 -2.574 -2.812 -3.070 -3.351 -3.665 -4.040 -4.548 -4.690 -4.837 -4.995 -5.175 -5.398 -5.693 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.408 -1.379 -1.430 -1.525 -1.650 -1.796 -1.962 -2.144 -2.343 -2.559 -2.792 -3.044 -3.317 -3.616 -3.964 -4.491 -4.628 -4.771 -4.920 -5.080 -5.260 -5.470 -5.726 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.404 -1.376 -1.426 -1.521 -1.644 -1.790 -1.954 -2.135 -2.332 -2.545 -2.774 -3.020 -3.284 -3.571 -3.896 -4.437 -4.570 -4.708 -4.851 -5.001 -5.162 -5.339 -5.539 -5.770 -6.038 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.401 -1.372 -1.423 -1.517 -1.640 -1.784 -1.947 -2.126 -2.320 -2.531 -2.756 -2.997 -3.254 -3.531 -3.836 -4.385 -4.515 -4.648 -4.786 -4.930 -5.080 -5.241 -5.414 -5.605 -5.817 -6.053 -6.313 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.397 -1.369 -1.419 -1.513 -1.635 -1.778 -1.940 -2.117 -2.310 -2.517 -2.739 -2.976 -3.227 -3.494 -3.783 -4.337 -4.463 -4.592 -4.726 -4.863 -5.007 -5.157 -5.315 -5.485 -5.667 -5.864 -6.077 -6.305 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.394 -1.366 -1.416 -1.509 -1.630 -1.773 -1.933 -2.108 -2.299 -2.504 -2.723 -2.955 -3.201 -3.460 -3.737 -4.291 -4.413 -4.539 -4.668 -4.802 -4.939 -5.082 -5.231 -5.387 -5.551 -5.726 -5.910 -6.105 -6.309 -6.519 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.391 -1.363 -1.412 -1.505 -1.625 -1.767 -1.926 -2.100 -2.288 -2.491 -2.707 -2.935 -3.176 -3.429 -3.696 -4.247 -4.367 -4.489 -4.615 -4.744 -4.876 -5.014 -5.155 -5.302 -5.455 -5.615 -5.781 -5.955 -6.134 -6.319 -6.507 99999.999 99999.999 99999.999 99999.999 99999.999 -1.389 -1.360 -1.409 -1.501 -1.621 -1.762 -1.919 -2.092 -2.278 -2.478 -2.692 -2.917 -3.153 -3.401 -3.660 -4.205 -4.322 -4.441 -4.564 -4.689 -4.818 -4.950 -5.086 -5.226 -5.371 -5.520 -5.675 -5.834 -5.998 -6.165 -6.334 -6.504 -6.672 99999.999 99999.999 99999.999 -1.386 -1.358 -1.406 -1.497 -1.617 -1.756 -1.913 -2.084 -2.269 -2.466 -2.677 -2.899 -3.132 -3.375 -3.628 -4.165 -4.279 -4.396 -4.515 -4.637 -4.762 -4.890 -5.021 -5.156 -5.295 -5.437 -5.583 -5.732 -5.884 -6.039 -6.195 -6.352 -6.507 -6.659 99999.999 99999.999 -1.384 -1.355 -1.403 -1.494 -1.612 -1.751 -1.906 -2.076 -2.259 -2.455 -2.663 -2.882 -3.111 -3.350 -3.599 -4.127 -4.239 -4.353 -4.469 -4.588 -4.709 -4.834 -4.961 -5.091 -5.224 -5.361 -5.500 -5.642 -5.786 -5.932 -6.079 -6.226 -6.371 -6.515 -6.654 -6.788 -1.381 -1.353 -1.400 -1.490 -1.608 -1.746 -1.900 -2.068 -2.250 -2.443 -2.649 -2.865 -3.092 -3.327 -3.572 -4.091 -4.200 -4.311 -4.425 -4.541 -4.659 -4.780 -4.904 -5.030 -5.159 -5.291 -5.424 -5.560 -5.698 -5.837 -5.977 -6.117 -6.256 -6.392 -6.526 -6.655 -1.368 -1.334 -1.376 -1.461 -1.572 -1.701 -1.845 -2.001 -2.167 -2.343 -2.529 -2.722 -2.923 -3.130 -3.344 -3.789 -3.881 -3.974 -4.069 -4.165 -4.262 -4.360 -4.459 -4.560 -4.662 -4.766 -4.871 -4.976 -5.083 -5.191 -5.299 -5.408 -5.517 -5.626 -5.735 -5.843 -1.367 -1.324 -1.360 -1.438 -1.543 -1.665 -1.801 -1.946 -2.101 -2.263 -2.433 -2.609 -2.791 -2.978 -3.169 -3.564 -3.645 -3.727 -3.809 -3.892 -3.976 -4.061 -4.146 -4.233 -4.320 -4.408 -4.497 -4.587 -4.678 -4.769 -4.861 -4.954 -5.047 -5.141 -5.236 -5.331 -1.377 -1.321 -1.350 -1.421 -1.520 -1.635 -1.764 -1.901 -2.046 -2.198 -2.355 -2.517 -2.684 -2.854 -3.028 -3.385 -3.458 -3.531 -3.605 -3.679 -3.754 -3.830 -3.905 -3.982 -4.059 -4.137 -4.215 -4.294 -4.373 -4.454 -4.534 -4.616 -4.698 -4.781 -4.864 -4.948 -1.395 -1.324 -1.344 -1.410 -1.502 -1.611 -1.733 -1.863 -2.000 -2.142 -2.289 -2.440 -2.594 -2.752 -2.912 -3.239 -3.305 -3.372 -3.439 -3.507 -3.574 -3.643 -3.711 -3.780 -3.850 -3.919 -3.990 -4.061 -4.132 -4.204 -4.276 -4.349 -4.423 -4.497 -4.571 -4.646 -1.420 -1.332 -1.343 -1.402 -1.488 -1.591 -1.707 -1.831 -1.961 -2.095 -2.234 -2.375 -2.519 -2.665 -2.814 -3.116 -3.177 -3.239 -3.300 -3.362 -3.424 -3.487 -3.550 -3.613 -3.676 -3.740 -3.804 -3.869 -3.934 -3.999 -4.065 -4.131 -4.198 -4.265 -4.333 -4.401 -1.450 -1.344 -1.346 -1.397 -1.477 -1.575 -1.685 -1.803 -1.927 -2.055 -2.186 -2.319 -2.454 -2.591 -2.730 -3.011 -3.068 -3.125 -3.182 -3.239 -3.297 -3.355 -3.413 -3.471 -3.530 -3.589 -3.648 -3.707 -3.767 -3.828 -3.888 -3.949 -4.010 -4.072 -4.134 -4.197 -1.485 -1.359 -1.351 -1.395 -1.469 -1.562 -1.667 -1.780 -1.898 -2.020 -2.144 -2.270 -2.398 -2.527 -2.657 -2.920 -2.973 -3.027 -3.080 -3.134 -3.187 -3.241 -3.295 -3.350 -3.404 -3.459 -3.514 -3.570 -3.625 -3.681 -3.737 -3.794 -3.851 -3.908 -3.966 -4.024 99999.999 -1.377 -1.359 -1.396 -1.464 -1.552 -1.651 -1.759 -1.872 -1.989 -2.107 -2.228 -2.349 -2.471 -2.594 -2.841 -2.891 -2.941 -2.991 -3.042 -3.092 -3.143 -3.193 -3.244 -3.295 -3.347 -3.398 -3.450 -3.502 -3.555 -3.608 -3.661 -3.714 -3.768 -3.822 -3.877 FeF+2 FeF(2) P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 6 1.125 1 -0.500 2 1.000 11 -0.125 6 0.125 4 1.000 23 3.252 2.800 2.335 1.878 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.252 2.800 2.335 1.878 1.435 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.251 2.800 2.334 1.878 1.435 1.004 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.251 2.800 2.334 1.878 1.435 1.004 0.582 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.251 2.799 2.334 1.877 1.434 1.004 0.582 0.165 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.250 2.798 2.333 1.877 1.434 1.003 0.582 0.165 -0.252 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.249 2.797 2.331 1.875 1.433 1.003 0.582 0.166 -0.250 -0.674 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.248 2.795 2.330 1.874 1.432 1.002 0.582 0.167 -0.248 -0.670 -1.111 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.246 2.792 2.327 1.872 1.430 1.001 0.582 0.168 -0.246 -0.666 -1.103 -1.574 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.243 2.789 2.324 1.869 1.428 1.000 0.582 0.169 -0.242 -0.660 -1.093 -1.557 -2.079 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.239 2.784 2.319 1.865 1.425 0.998 0.582 0.171 -0.238 -0.652 -1.080 -1.536 -2.042 -2.648 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.235 2.778 2.313 1.860 1.421 0.996 0.581 0.173 -0.233 -0.643 -1.064 -1.510 -1.999 -2.570 -3.357 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.231 2.773 2.309 1.856 1.419 0.994 0.581 0.175 -0.229 -0.636 -1.053 -1.491 -1.968 -2.516 -3.242 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.226 2.767 2.302 1.851 1.414 0.992 0.580 0.176 -0.224 -0.627 -1.037 -1.466 -1.926 -2.446 -3.107 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.220 2.760 2.296 1.845 1.410 0.989 0.580 0.178 -0.220 -0.618 -1.023 -1.442 -1.888 -2.383 -2.992 -4.291 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.214 2.753 2.289 1.839 1.406 0.986 0.579 0.180 -0.215 -0.610 -1.009 -1.421 -1.854 -2.327 -2.893 -3.822 -4.229 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.209 2.746 2.283 1.834 1.401 0.984 0.578 0.181 -0.211 -0.602 -0.997 -1.401 -1.822 -2.276 -2.805 -3.665 -3.941 -4.292 -4.795 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.203 2.739 2.276 1.828 1.397 0.981 0.577 0.182 -0.207 -0.595 -0.985 -1.382 -1.793 -2.230 -2.727 -3.558 -3.793 -4.059 -4.379 -4.787 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.197 2.732 2.270 1.823 1.392 0.978 0.576 0.183 -0.204 -0.588 -0.974 -1.364 -1.766 -2.189 -2.658 -3.474 -3.686 -3.917 -4.175 -4.473 -4.829 -5.260 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.191 2.725 2.263 1.817 1.388 0.975 0.574 0.184 -0.201 -0.582 -0.963 -1.348 -1.742 -2.151 -2.597 -3.403 -3.601 -3.811 -4.039 -4.289 -4.569 -4.890 -5.261 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.185 2.718 2.257 1.811 1.383 0.971 0.573 0.184 -0.198 -0.576 -0.953 -1.333 -1.719 -2.118 -2.543 -3.341 -3.528 -3.725 -3.934 -4.157 -4.399 -4.665 -4.960 -5.290 -5.653 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.179 2.711 2.250 1.805 1.379 0.968 0.571 0.185 -0.195 -0.570 -0.944 -1.319 -1.699 -2.087 -2.496 -3.286 -3.465 -3.652 -3.847 -4.052 -4.271 -4.505 -4.758 -5.034 -5.332 -5.654 -5.996 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.172 2.704 2.243 1.800 1.374 0.965 0.570 0.185 -0.192 -0.565 -0.936 -1.306 -1.680 -2.060 -2.455 -3.236 -3.409 -3.587 -3.772 -3.965 -4.168 -4.381 -4.608 -4.850 -5.108 -5.382 -5.673 -5.976 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.166 2.697 2.237 1.794 1.370 0.962 0.568 0.185 -0.190 -0.560 -0.928 -1.294 -1.663 -2.036 -2.419 -3.191 -3.358 -3.530 -3.707 -3.890 -4.080 -4.279 -4.488 -4.707 -4.938 -5.181 -5.436 -5.702 -5.975 -6.254 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.160 2.690 2.230 1.788 1.365 0.958 0.566 0.185 -0.188 -0.556 -0.920 -1.283 -1.647 -2.013 -2.387 -3.149 -3.312 -3.477 -3.648 -3.823 -4.004 -4.192 -4.388 -4.591 -4.803 -5.024 -5.254 -5.492 -5.737 -5.987 -6.239 99999.999 99999.999 99999.999 99999.999 99999.999 3.153 2.683 2.224 1.782 1.360 0.955 0.564 0.185 -0.186 -0.551 -0.913 -1.273 -1.632 -1.993 -2.359 -3.111 -3.269 -3.430 -3.594 -3.763 -3.937 -4.116 -4.301 -4.492 -4.690 -4.895 -5.107 -5.325 -5.549 -5.776 -6.007 -6.237 -6.465 99999.999 99999.999 99999.999 3.146 2.676 2.217 1.777 1.356 0.952 0.562 0.185 -0.184 -0.547 -0.906 -1.263 -1.618 -1.975 -2.335 -3.075 -3.229 -3.385 -3.545 -3.709 -3.876 -4.048 -4.225 -4.406 -4.593 -4.786 -4.984 -5.187 -5.394 -5.605 -5.818 -6.032 -6.244 -6.454 99999.999 99999.999 3.140 2.669 2.210 1.771 1.351 0.948 0.560 0.184 -0.183 -0.543 -0.900 -1.253 -1.606 -1.958 -2.313 -3.041 -3.191 -3.344 -3.500 -3.659 -3.821 -3.986 -4.156 -4.330 -4.508 -4.691 -4.878 -5.069 -5.264 -5.461 -5.661 -5.861 -6.061 -6.259 -6.453 -6.641 3.133 2.662 2.204 1.765 1.346 0.945 0.558 0.184 -0.181 -0.540 -0.894 -1.244 -1.593 -1.942 -2.293 -3.009 -3.156 -3.306 -3.458 -3.612 -3.770 -3.930 -4.094 -4.261 -4.432 -4.607 -4.785 -4.967 -5.151 -5.338 -5.527 -5.716 -5.906 -6.093 -6.278 -6.459 3.061 2.588 2.136 1.706 1.297 0.907 0.534 0.174 -0.174 -0.514 -0.847 -1.174 -1.496 -1.816 -2.132 -2.764 -2.891 -3.018 -3.146 -3.274 -3.403 -3.533 -3.664 -3.796 -3.928 -4.062 -4.196 -4.331 -4.468 -4.604 -4.742 -4.880 -5.018 -5.157 -5.295 -5.432 2.983 2.512 2.067 1.646 1.246 0.867 0.505 0.157 -0.178 -0.502 -0.818 -1.127 -1.430 -1.728 -2.021 -2.599 -2.714 -2.828 -2.942 -3.057 -3.171 -3.286 -3.400 -3.515 -3.630 -3.745 -3.861 -3.976 -4.092 -4.209 -4.325 -4.442 -4.559 -4.676 -4.794 -4.911 2.900 2.434 1.996 1.584 1.194 0.824 0.472 0.135 -0.188 -0.500 -0.802 -1.096 -1.383 -1.664 -1.940 -2.478 -2.584 -2.690 -2.795 -2.900 -3.004 -3.109 -3.213 -3.317 -3.421 -3.524 -3.628 -3.732 -3.836 -3.939 -4.043 -4.147 -4.251 -4.355 -4.459 -4.563 2.813 2.353 1.925 1.521 1.140 0.779 0.437 0.110 -0.204 -0.505 -0.796 -1.077 -1.351 -1.618 -1.879 -2.386 -2.486 -2.584 -2.683 -2.780 -2.877 -2.974 -3.071 -3.167 -3.263 -3.358 -3.454 -3.549 -3.644 -3.739 -3.834 -3.929 -4.023 -4.118 -4.213 -4.307 2.723 2.272 1.852 1.457 1.085 0.733 0.399 0.081 -0.224 -0.515 -0.796 -1.067 -1.330 -1.585 -1.834 -2.315 -2.409 -2.502 -2.595 -2.687 -2.778 -2.869 -2.959 -3.049 -3.139 -3.229 -3.318 -3.406 -3.495 -3.583 -3.671 -3.759 -3.847 -3.935 -4.022 -4.110 2.630 2.188 1.778 1.392 1.029 0.685 0.359 0.049 -0.247 -0.530 -0.801 -1.063 -1.316 -1.561 -1.800 -2.259 -2.348 -2.437 -2.525 -2.612 -2.699 -2.785 -2.870 -2.955 -3.040 -3.124 -3.208 -3.292 -3.375 -3.458 -3.541 -3.624 -3.706 -3.788 -3.870 -3.952 2.535 2.104 1.703 1.326 0.971 0.636 0.318 0.015 -0.273 -0.548 -0.812 -1.065 -1.309 -1.545 -1.774 -2.214 -2.300 -2.385 -2.469 -2.552 -2.635 -2.717 -2.798 -2.879 -2.960 -3.040 -3.119 -3.199 -3.278 -3.356 -3.435 -3.513 -3.591 -3.669 -3.746 -3.824 99999.999 2.020 1.627 1.259 0.913 0.585 0.275 -0.020 -0.301 -0.569 -0.825 -1.071 -1.308 -1.536 -1.757 -2.180 -2.262 -2.343 -2.424 -2.504 -2.583 -2.661 -2.739 -2.817 -2.894 -2.970 -3.046 -3.122 -3.198 -3.273 -3.347 -3.422 -3.496 -3.570 -3.644 -3.718 FeF+2 FeF(2) P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 5 1.000 1 -0.500 2 1.000 11 0.250 31 1.000 23 -15.761 -14.490 -13.470 -12.636 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.761 -14.490 -13.470 -12.636 -11.946 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.761 -14.490 -13.471 -12.636 -11.946 -11.373 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.762 -14.491 -13.471 -12.637 -11.947 -11.374 -10.898 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.763 -14.492 -13.472 -12.638 -11.948 -11.374 -10.899 -10.507 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.764 -14.494 -13.474 -12.640 -11.949 -11.376 -10.900 -10.508 -10.190 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.767 -14.496 -13.477 -12.642 -11.951 -11.377 -10.901 -10.508 -10.190 -9.942 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.771 -14.501 -13.481 -12.646 -11.954 -11.380 -10.903 -10.509 -10.190 -9.941 -9.761 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.776 -14.506 -13.486 -12.650 -11.958 -11.383 -10.905 -10.511 -10.190 -9.939 -9.756 -9.648 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.783 -14.513 -13.493 -12.657 -11.964 -11.388 -10.909 -10.513 -10.191 -9.936 -9.750 -9.637 -9.611 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.791 -14.523 -13.502 -12.665 -11.971 -11.394 -10.913 -10.515 -10.191 -9.934 -9.743 -9.622 -9.584 -9.658 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.803 -14.536 -13.514 -12.676 -11.981 -11.402 -10.919 -10.519 -10.191 -9.931 -9.734 -9.605 -9.552 -9.599 -9.840 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.812 -14.546 -13.524 -12.685 -11.988 -11.408 -10.923 -10.522 -10.192 -9.928 -9.728 -9.592 -9.529 -9.558 -9.759 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.825 -14.560 -13.537 -12.697 -11.999 -11.416 -10.930 -10.526 -10.193 -9.926 -9.720 -9.575 -9.499 -9.505 -9.658 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.838 -14.574 -13.550 -12.709 -12.009 -11.425 -10.937 -10.530 -10.195 -9.924 -9.712 -9.560 -9.471 -9.457 -9.569 -9.626 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.852 -14.588 -13.564 -12.721 -12.020 -11.434 -10.944 -10.535 -10.197 -9.922 -9.706 -9.547 -9.447 -9.415 -9.491 -9.424 -9.542 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.865 -14.602 -13.577 -12.733 -12.030 -11.443 -10.951 -10.539 -10.199 -9.920 -9.700 -9.534 -9.424 -9.376 -9.422 -9.346 -9.405 -9.508 -9.716 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.878 -14.616 -13.590 -12.745 -12.041 -11.452 -10.957 -10.544 -10.201 -9.919 -9.695 -9.523 -9.404 -9.342 -9.360 -9.284 -9.325 -9.386 -9.481 -9.639 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.892 -14.630 -13.603 -12.757 -12.051 -11.461 -10.964 -10.549 -10.203 -9.919 -9.690 -9.513 -9.386 -9.311 -9.306 -9.231 -9.262 -9.306 -9.368 -9.457 -9.589 -9.781 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.905 -14.644 -13.617 -12.769 -12.062 -11.469 -10.972 -10.554 -10.206 -9.918 -9.686 -9.504 -9.369 -9.284 -9.259 -9.186 -9.209 -9.242 -9.287 -9.349 -9.434 -9.549 -9.704 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.919 -14.657 -13.630 -12.781 -12.073 -11.478 -10.979 -10.559 -10.208 -9.918 -9.682 -9.496 -9.355 -9.259 -9.217 -9.145 -9.162 -9.187 -9.222 -9.269 -9.331 -9.410 -9.514 -9.644 -9.805 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.932 -14.671 -13.643 -12.793 -12.083 -11.487 -10.986 -10.564 -10.211 -9.919 -9.679 -9.488 -9.342 -9.238 -9.182 -9.108 -9.120 -9.139 -9.167 -9.204 -9.251 -9.311 -9.387 -9.481 -9.594 -9.728 -9.881 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.946 -14.685 -13.656 -12.805 -12.094 -11.496 -10.993 -10.569 -10.214 -9.919 -9.677 -9.482 -9.330 -9.219 -9.151 -9.075 -9.082 -9.096 -9.118 -9.147 -9.185 -9.233 -9.292 -9.363 -9.449 -9.549 -9.663 -9.790 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.960 -14.699 -13.669 -12.817 -12.104 -11.505 -11.000 -10.575 -10.218 -9.920 -9.675 -9.476 -9.320 -9.203 -9.124 -9.044 -9.048 -9.058 -9.074 -9.097 -9.128 -9.167 -9.215 -9.272 -9.339 -9.418 -9.507 -9.606 -9.714 -9.828 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.974 -14.713 -13.682 -12.828 -12.115 -11.514 -11.008 -10.580 -10.221 -9.921 -9.673 -9.471 -9.311 -9.188 -9.102 -9.015 -9.016 -9.022 -9.034 -9.053 -9.078 -9.110 -9.149 -9.196 -9.251 -9.315 -9.387 -9.466 -9.554 -9.646 -9.743 99999.999 99999.999 99999.999 99999.999 99999.999 -15.988 -14.727 -13.695 -12.840 -12.125 -11.523 -11.015 -10.586 -10.224 -9.922 -9.671 -9.467 -9.302 -9.175 -9.083 -8.989 -8.986 -8.989 -8.998 -9.012 -9.032 -9.058 -9.091 -9.130 -9.177 -9.230 -9.289 -9.356 -9.428 -9.505 -9.586 -9.668 -9.751 99999.999 99999.999 99999.999 -16.002 -14.741 -13.708 -12.852 -12.135 -11.532 -11.022 -10.591 -10.228 -9.923 -9.670 -9.463 -9.295 -9.164 -9.067 -8.964 -8.959 -8.959 -8.964 -8.975 -8.991 -9.012 -9.040 -9.073 -9.112 -9.157 -9.207 -9.264 -9.325 -9.390 -9.459 -9.530 -9.601 -9.672 99999.999 99999.999 -16.016 -14.755 -13.721 -12.864 -12.146 -11.541 -11.030 -10.597 -10.232 -9.925 -9.669 -9.459 -9.289 -9.154 -9.052 -8.941 -8.933 -8.931 -8.933 -8.940 -8.952 -8.970 -8.993 -9.021 -9.054 -9.093 -9.136 -9.185 -9.238 -9.294 -9.354 -9.415 -9.478 -9.540 -9.601 -9.660 -16.030 -14.769 -13.735 -12.876 -12.156 -11.550 -11.037 -10.603 -10.236 -9.927 -9.669 -9.456 -9.283 -9.145 -9.040 -8.919 -8.909 -8.904 -8.904 -8.908 -8.917 -8.931 -8.950 -8.974 -9.002 -9.036 -9.073 -9.116 -9.162 -9.211 -9.263 -9.318 -9.373 -9.429 -9.484 -9.537 -16.173 -14.909 -13.864 -12.993 -12.261 -11.641 -11.113 -10.663 -10.279 -9.951 -9.673 -9.438 -9.241 -9.078 -8.944 -8.755 -8.729 -8.707 -8.688 -8.673 -8.661 -8.653 -8.648 -8.647 -8.648 -8.653 -8.661 -8.671 -8.685 -8.701 -8.719 -8.739 -8.762 -8.786 -8.811 -8.838 -16.322 -15.050 -13.993 -13.110 -12.364 -11.732 -11.191 -10.727 -10.329 -9.986 -9.692 -9.439 -9.224 -9.040 -8.886 -8.651 -8.615 -8.582 -8.552 -8.526 -8.502 -8.482 -8.464 -8.449 -8.437 -8.428 -8.421 -8.417 -8.415 -8.415 -8.418 -8.423 -8.430 -8.439 -8.450 -8.462 -16.474 -15.191 -14.121 -13.225 -12.468 -11.823 -11.271 -10.795 -10.384 -10.028 -9.719 -9.452 -9.222 -9.023 -8.852 -8.582 -8.538 -8.497 -8.460 -8.425 -8.393 -8.364 -8.338 -8.314 -8.293 -8.274 -8.257 -8.243 -8.232 -8.222 -8.215 -8.209 -8.206 -8.204 -8.205 -8.207 -16.630 -15.333 -14.250 -13.341 -12.572 -11.915 -11.351 -10.864 -10.442 -10.074 -9.754 -9.474 -9.231 -9.018 -8.833 -8.535 -8.485 -8.438 -8.394 -8.353 -8.315 -8.280 -8.247 -8.216 -8.188 -8.162 -8.139 -8.117 -8.098 -8.081 -8.066 -8.053 -8.042 -8.033 -8.026 -8.020 -16.788 -15.475 -14.378 -13.456 -12.675 -12.007 -11.433 -10.935 -10.503 -10.124 -9.793 -9.503 -9.248 -9.024 -8.827 -8.504 -8.449 -8.397 -8.349 -8.302 -8.259 -8.218 -8.180 -8.144 -8.110 -8.079 -8.050 -8.023 -7.998 -7.975 -7.955 -7.936 -7.919 -7.904 -7.890 -7.879 -16.947 -15.618 -14.507 -13.572 -12.779 -12.100 -11.515 -11.008 -10.565 -10.178 -9.837 -9.536 -9.271 -9.037 -8.830 -8.486 -8.427 -8.370 -8.317 -8.267 -8.219 -8.174 -8.131 -8.090 -8.052 -8.017 -7.983 -7.951 -7.922 -7.894 -7.869 -7.845 -7.823 -7.803 -7.785 -7.769 -17.109 -15.761 -14.635 -13.687 -12.883 -12.193 -11.598 -11.081 -10.630 -10.233 -9.883 -9.574 -9.300 -9.056 -8.840 -8.477 -8.414 -8.354 -8.297 -8.243 -8.191 -8.142 -8.096 -8.051 -8.009 -7.970 -7.932 -7.897 -7.863 -7.832 -7.802 -7.775 -7.749 -7.725 -7.703 -7.682 99999.999 -15.904 -14.763 -13.803 -12.986 -12.287 -11.682 -11.156 -10.696 -10.290 -9.932 -9.615 -9.332 -9.080 -8.856 -8.476 -8.410 -8.346 -8.286 -8.228 -8.173 -8.121 -8.071 -8.023 -7.978 -7.935 -7.894 -7.855 -7.819 -7.784 -7.751 -7.720 -7.691 -7.664 -7.638 -7.614 FeO,aq FeO(+0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 2.000 Ref: Shock07 3 -2.000 1 1.000 11 1.000 2 22.252 20.405 18.858 17.545 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.252 20.405 18.858 17.545 16.417 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.251 20.405 18.857 17.545 16.417 15.435 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.251 20.404 18.857 17.544 16.416 15.435 14.571 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.250 20.404 18.856 17.544 16.416 15.435 14.571 13.801 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.248 20.402 18.855 17.543 16.415 15.434 14.570 13.801 13.107 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.246 20.400 18.853 17.541 16.413 15.433 14.569 13.800 13.107 12.473 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.243 20.397 18.851 17.539 16.412 15.431 14.568 13.800 13.107 12.474 11.886 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.238 20.393 18.847 17.535 16.409 15.429 14.567 13.799 13.107 12.476 11.889 11.332 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.232 20.387 18.842 17.531 16.405 15.426 14.565 13.798 13.107 12.477 11.893 11.339 10.806 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.224 20.380 18.836 17.526 16.400 15.422 14.562 13.796 13.107 12.479 11.898 11.348 10.821 10.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.213 20.371 18.827 17.518 16.394 15.417 14.558 13.794 13.107 12.482 11.903 11.360 10.839 10.336 9.901 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.205 20.363 18.821 17.512 16.389 15.413 14.555 13.793 13.107 12.483 11.908 11.368 10.853 10.353 9.861 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.193 20.353 18.811 17.504 16.382 15.408 14.551 13.790 13.106 12.485 11.913 11.379 10.872 10.381 9.873 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.181 20.342 18.802 17.496 16.375 15.402 14.547 13.787 13.105 12.487 11.918 11.389 10.890 10.410 9.909 11.665 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.169 20.331 18.792 17.487 16.368 15.396 14.542 13.784 13.104 12.488 11.923 11.399 10.907 10.437 9.952 10.301 10.826 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.157 20.321 18.783 17.479 16.360 15.390 14.537 13.781 13.103 12.489 11.927 11.407 10.922 10.462 9.996 9.968 10.118 10.428 10.887 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.145 20.310 18.773 17.470 16.353 15.383 14.532 13.778 13.101 12.489 11.930 11.415 10.936 10.486 10.037 9.820 9.851 9.957 10.157 10.442 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.133 20.299 18.763 17.462 16.346 15.377 14.528 13.774 13.099 12.489 11.933 11.422 10.949 10.507 10.075 9.738 9.715 9.735 9.808 9.943 10.130 10.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.121 20.288 18.754 17.453 16.338 15.371 14.523 13.771 13.097 12.489 11.935 11.428 10.959 10.525 10.108 9.688 9.636 9.611 9.620 9.670 9.761 9.887 10.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.109 20.277 18.744 17.445 16.331 15.365 14.517 13.767 13.095 12.489 11.937 11.433 10.969 10.541 10.137 9.656 9.585 9.535 9.507 9.508 9.539 9.599 9.685 9.784 9.883 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.097 20.266 18.734 17.436 16.323 15.358 14.512 13.763 13.093 12.488 11.939 11.437 10.977 10.555 10.161 9.634 9.552 9.485 9.435 9.405 9.398 9.414 9.453 9.511 9.580 9.653 9.722 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.085 20.256 18.724 17.427 16.316 15.352 14.507 13.759 13.091 12.488 11.940 11.441 10.984 10.566 10.181 9.619 9.529 9.451 9.386 9.336 9.304 9.290 9.295 9.318 9.356 9.404 9.457 9.512 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.073 20.245 18.715 17.419 16.308 15.345 14.502 13.755 13.088 12.487 11.941 11.444 10.990 10.575 10.196 9.610 9.513 9.427 9.352 9.289 9.240 9.205 9.186 9.182 9.192 9.215 9.248 9.287 9.329 9.373 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.061 20.234 18.705 17.410 16.300 15.338 14.496 13.751 13.085 12.486 11.942 11.446 10.995 10.583 10.208 9.603 9.503 9.411 9.328 9.255 9.194 9.144 9.108 9.084 9.073 9.074 9.086 9.107 9.135 9.168 9.205 99999.999 99999.999 99999.999 99999.999 99999.999 22.048 20.223 18.695 17.401 16.292 15.332 14.491 13.747 13.082 12.484 11.942 11.448 10.998 10.589 10.217 9.600 9.496 9.399 9.311 9.232 9.161 9.101 9.051 9.013 8.985 8.969 8.963 8.967 8.979 8.998 9.023 9.053 9.089 99999.999 99999.999 99999.999 22.036 20.212 18.685 17.392 16.285 15.325 14.485 13.742 13.079 12.483 11.942 11.450 11.002 10.593 10.223 9.598 9.491 9.392 9.299 9.214 9.137 9.069 9.010 8.960 8.920 8.889 8.869 8.857 8.855 8.860 8.872 8.891 8.916 8.947 99999.999 99999.999 22.024 20.201 18.675 17.383 16.277 15.318 14.479 13.738 13.076 12.481 11.942 11.451 11.004 10.597 10.227 9.597 9.489 9.387 9.291 9.202 9.120 9.046 8.979 8.921 8.871 8.829 8.797 8.773 8.757 8.749 8.749 8.756 8.769 8.789 8.816 8.848 22.011 20.190 18.665 17.375 16.269 15.311 14.473 13.733 13.073 12.479 11.941 11.452 11.006 10.600 10.231 9.598 9.488 9.384 9.286 9.193 9.108 9.028 8.956 8.891 8.833 8.783 8.741 8.707 8.680 8.661 8.650 8.645 8.648 8.656 8.672 8.694 21.887 20.078 18.565 17.284 16.189 15.241 14.413 13.683 13.035 12.453 11.929 11.453 11.019 10.622 10.260 9.625 9.511 9.400 9.294 9.192 9.093 8.997 8.905 8.817 8.732 8.650 8.572 8.497 8.425 8.357 8.292 8.231 8.173 8.118 8.067 8.020 21.761 19.965 18.463 17.192 16.106 15.167 14.348 13.628 12.989 12.418 11.905 11.440 11.017 10.631 10.277 9.655 9.543 9.434 9.328 9.226 9.127 9.031 8.938 8.847 8.759 8.674 8.591 8.510 8.432 8.356 8.282 8.210 8.140 8.071 8.005 7.941 21.633 19.851 18.360 17.099 16.021 15.091 14.280 13.568 12.938 12.377 11.872 11.417 11.004 10.627 10.283 9.677 9.567 9.461 9.358 9.258 9.161 9.067 8.975 8.886 8.800 8.715 8.633 8.553 8.475 8.399 8.325 8.252 8.181 8.111 8.043 7.976 21.504 19.737 18.256 17.005 15.935 15.013 14.210 13.506 12.883 12.330 11.834 11.388 10.983 10.615 10.279 9.688 9.582 9.478 9.378 9.281 9.186 9.095 9.006 8.919 8.835 8.753 8.673 8.595 8.519 8.445 8.372 8.301 8.231 8.163 8.096 8.030 21.375 19.622 18.152 16.910 15.849 14.934 14.138 13.441 12.826 12.280 11.791 11.353 10.956 10.596 10.268 9.692 9.588 9.487 9.389 9.295 9.203 9.114 9.028 8.944 8.862 8.782 8.705 8.629 8.556 8.484 8.413 8.345 8.277 8.211 8.146 8.083 21.246 19.507 18.048 16.814 15.761 14.854 14.065 13.375 12.766 12.227 11.745 11.313 10.924 10.571 10.250 9.687 9.586 9.488 9.393 9.301 9.212 9.125 9.041 8.960 8.880 8.803 8.728 8.655 8.584 8.514 8.446 8.379 8.314 8.251 8.188 8.127 21.117 19.392 17.943 16.718 15.673 14.773 13.992 13.308 12.705 12.172 11.697 11.271 10.888 10.541 10.227 9.677 9.578 9.482 9.390 9.300 9.213 9.129 9.047 8.968 8.891 8.816 8.743 8.672 8.603 8.536 8.470 8.406 8.343 8.282 8.221 8.162 99999.999 19.277 17.838 16.622 15.585 14.692 13.917 13.239 12.643 12.115 11.646 11.226 10.849 10.508 10.199 9.661 9.565 9.471 9.381 9.293 9.209 9.127 9.047 8.970 8.895 8.822 8.752 8.683 8.616 8.550 8.487 8.424 8.363 8.304 8.246 8.189 FeOH+ FeOH(+1) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 3 -1.000 1 1.000 11 1.000 2 10.132 9.315 8.616 8.015 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.132 9.315 8.616 8.015 7.495 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.132 9.315 8.616 8.015 7.495 7.038 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.131 9.314 8.615 8.015 7.494 7.038 6.634 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.130 9.313 8.614 8.014 7.494 7.037 6.633 6.271 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.128 9.312 8.613 8.013 7.493 7.037 6.632 6.270 5.942 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.126 9.310 8.611 8.011 7.491 7.035 6.631 6.269 5.941 5.640 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.123 9.307 8.608 8.009 7.489 7.033 6.629 6.268 5.940 5.639 5.358 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.118 9.302 8.605 8.005 7.486 7.030 6.627 6.266 5.939 5.638 5.358 5.092 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.112 9.297 8.599 8.001 7.482 7.027 6.624 6.263 5.936 5.637 5.358 5.093 4.838 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.103 9.289 8.593 7.995 7.476 7.022 6.620 6.260 5.934 5.635 5.358 5.095 4.842 4.604 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.093 9.280 8.584 7.987 7.469 7.015 6.614 6.255 5.930 5.633 5.357 5.097 4.847 4.607 4.409 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.084 9.272 8.577 7.981 7.463 7.010 6.610 6.251 5.927 5.631 5.356 5.098 4.851 4.612 4.381 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.072 9.262 8.568 7.972 7.455 7.003 6.603 6.246 5.923 5.628 5.355 5.099 4.856 4.621 4.379 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.060 9.251 8.558 7.963 7.447 6.996 6.597 6.240 5.918 5.624 5.354 5.100 4.861 4.631 4.391 5.402 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.048 9.240 8.548 7.954 7.439 6.989 6.590 6.235 5.914 5.621 5.352 5.101 4.865 4.640 4.407 4.646 4.946 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.036 9.229 8.538 7.945 7.431 6.981 6.584 6.229 5.909 5.618 5.350 5.101 4.869 4.649 4.424 4.456 4.550 4.732 4.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.024 9.218 8.528 7.936 7.423 6.974 6.577 6.223 5.904 5.614 5.348 5.101 4.872 4.656 4.441 4.369 4.396 4.465 4.586 4.756 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.012 9.207 8.519 7.927 7.415 6.967 6.571 6.218 5.899 5.610 5.345 5.101 4.874 4.662 4.455 4.318 4.315 4.336 4.387 4.472 4.587 4.714 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.000 9.197 8.509 7.918 7.406 6.959 6.564 6.212 5.894 5.606 5.342 5.100 4.875 4.667 4.468 4.284 4.265 4.262 4.277 4.314 4.375 4.455 4.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.988 9.186 8.499 7.909 7.398 6.952 6.557 6.206 5.889 5.602 5.340 5.098 4.876 4.671 4.478 4.261 4.232 4.213 4.208 4.218 4.244 4.288 4.346 4.413 4.480 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.976 9.175 8.489 7.900 7.390 6.944 6.551 6.200 5.884 5.598 5.336 5.097 4.876 4.674 4.486 4.243 4.207 4.180 4.162 4.155 4.160 4.178 4.210 4.252 4.301 4.352 4.402 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.964 9.164 8.479 7.891 7.382 6.937 6.544 6.194 5.879 5.594 5.333 5.095 4.876 4.676 4.491 4.230 4.189 4.155 4.129 4.111 4.102 4.103 4.115 4.137 4.167 4.204 4.244 4.285 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.952 9.153 8.469 7.882 7.373 6.929 6.537 6.188 5.874 5.589 5.330 5.092 4.875 4.676 4.495 4.219 4.175 4.137 4.104 4.078 4.060 4.049 4.048 4.054 4.069 4.091 4.118 4.149 4.182 4.216 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.939 9.142 8.459 7.873 7.365 6.921 6.530 6.182 5.869 5.585 5.326 5.090 4.873 4.676 4.496 4.211 4.164 4.122 4.086 4.054 4.029 4.010 3.998 3.993 3.996 4.005 4.020 4.040 4.065 4.092 4.121 99999.999 99999.999 99999.999 99999.999 99999.999 9.927 9.131 8.449 7.863 7.357 6.914 6.523 6.176 5.863 5.580 5.323 5.087 4.871 4.675 4.497 4.204 4.155 4.111 4.071 4.035 4.005 3.980 3.961 3.947 3.940 3.939 3.944 3.954 3.969 3.988 4.010 4.035 4.062 99999.999 99999.999 99999.999 9.915 9.120 8.439 7.854 7.348 6.906 6.516 6.169 5.858 5.576 5.319 5.084 4.869 4.673 4.496 4.198 4.148 4.102 4.059 4.020 3.986 3.956 3.932 3.912 3.898 3.889 3.885 3.886 3.893 3.903 3.918 3.935 3.956 3.981 99999.999 99999.999 9.903 9.109 8.429 7.845 7.340 6.898 6.509 6.163 5.852 5.571 5.315 5.081 4.867 4.671 4.494 4.193 4.142 4.094 4.049 4.008 3.971 3.938 3.909 3.884 3.864 3.849 3.838 3.833 3.831 3.834 3.841 3.852 3.867 3.884 3.905 3.929 9.891 9.098 8.419 7.836 7.331 6.891 6.502 6.157 5.847 5.566 5.311 5.077 4.864 4.669 4.491 4.189 4.137 4.087 4.041 3.998 3.959 3.923 3.891 3.862 3.838 3.817 3.801 3.789 3.782 3.778 3.779 3.783 3.791 3.802 3.817 3.835 9.768 8.988 8.319 7.744 7.246 6.813 6.431 6.092 5.789 5.515 5.267 5.040 4.833 4.642 4.468 4.161 4.106 4.052 4.001 3.951 3.903 3.857 3.813 3.770 3.730 3.690 3.653 3.617 3.583 3.551 3.520 3.492 3.465 3.439 3.416 3.394 9.645 8.877 8.217 7.651 7.160 6.733 6.358 6.025 5.728 5.460 5.218 4.998 4.796 4.611 4.441 4.139 4.085 4.032 3.980 3.930 3.882 3.835 3.789 3.745 3.702 3.660 3.619 3.579 3.541 3.503 3.467 3.432 3.397 3.364 3.331 3.299 9.521 8.766 8.116 7.557 7.074 6.653 6.283 5.956 5.664 5.403 5.166 4.951 4.755 4.575 4.410 4.116 4.062 4.010 3.960 3.911 3.864 3.817 3.772 3.728 3.686 3.644 3.603 3.564 3.525 3.487 3.450 3.413 3.378 3.343 3.309 3.275 9.398 8.655 8.014 7.463 6.987 6.572 6.208 5.886 5.600 5.343 5.112 4.902 4.711 4.536 4.375 4.089 4.037 3.986 3.937 3.890 3.843 3.798 3.754 3.712 3.670 3.629 3.590 3.551 3.513 3.476 3.439 3.403 3.368 3.334 3.300 3.267 9.274 8.544 7.913 7.370 6.900 6.491 6.132 5.816 5.534 5.282 5.056 4.851 4.664 4.493 4.337 4.059 4.008 3.959 3.912 3.866 3.821 3.777 3.734 3.693 3.652 3.613 3.574 3.536 3.499 3.463 3.428 3.393 3.359 3.326 3.293 3.261 9.151 8.434 7.812 7.276 6.813 6.410 6.057 5.745 5.468 5.221 4.998 4.798 4.615 4.449 4.296 4.026 3.977 3.930 3.883 3.838 3.795 3.752 3.711 3.671 3.631 3.593 3.556 3.519 3.484 3.449 3.414 3.381 3.348 3.316 3.284 3.253 9.028 8.324 7.711 7.183 6.726 6.329 5.981 5.674 5.401 5.158 4.940 4.743 4.565 4.403 4.254 3.991 3.943 3.897 3.852 3.809 3.766 3.725 3.685 3.646 3.608 3.571 3.535 3.499 3.465 3.431 3.398 3.366 3.334 3.303 3.272 3.242 99999.999 8.214 7.610 7.089 6.639 6.248 5.905 5.602 5.334 5.095 4.881 4.688 4.514 4.355 4.210 3.954 3.908 3.863 3.819 3.777 3.736 3.696 3.657 3.619 3.582 3.546 3.511 3.477 3.443 3.411 3.379 3.347 3.317 3.287 3.257 3.228 HFeO2- HFe2O(-1) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 3.000 Ref: Shock07 3 -3.000 1 1.000 11 2.000 2 31.418 29.207 27.344 25.763 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.418 29.207 27.344 25.763 24.411 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.418 29.206 27.344 25.763 24.410 23.244 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.416 29.205 27.343 25.762 24.409 23.243 22.231 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.414 29.203 27.341 25.760 24.407 23.241 22.229 21.348 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.411 29.200 27.338 25.757 24.405 23.238 22.227 21.345 20.575 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.405 29.195 27.333 25.753 24.401 23.235 22.223 21.341 20.571 19.900 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.398 29.189 27.327 25.747 24.395 23.229 22.217 21.335 20.565 19.893 19.311 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.388 29.179 27.319 25.739 24.387 23.221 22.210 21.328 20.557 19.885 19.301 18.805 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.374 29.167 27.307 25.728 24.377 23.211 22.199 21.317 20.547 19.873 19.288 18.789 18.386 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.356 29.151 27.292 25.714 24.363 23.197 22.186 21.304 20.533 19.858 19.272 18.769 18.357 18.079 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.332 29.129 27.272 25.695 24.345 23.180 22.169 21.286 20.515 19.839 19.251 18.744 18.323 18.014 17.977 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.314 29.113 27.257 25.681 24.331 23.166 22.155 21.273 20.501 19.825 19.235 18.725 18.299 17.973 17.833 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.288 29.089 27.235 25.660 24.311 23.147 22.136 21.254 20.481 19.804 19.212 18.699 18.266 17.923 17.711 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.262 29.066 27.213 25.639 24.291 23.128 22.117 21.235 20.461 19.783 19.190 18.675 18.236 17.880 17.630 19.672 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.236 29.042 27.191 25.618 24.271 23.108 22.098 21.215 20.442 19.763 19.168 18.650 18.207 17.842 17.567 18.063 18.759 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.210 29.019 27.169 25.598 24.251 23.089 22.079 21.196 20.423 19.743 19.147 18.627 18.180 17.807 17.516 17.620 17.877 18.339 19.063 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.184 28.995 27.147 25.577 24.231 23.070 22.060 21.178 20.404 19.723 19.126 18.604 18.154 17.775 17.472 17.383 17.499 17.711 18.053 18.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.157 28.972 27.125 25.556 24.212 23.050 22.041 21.159 20.385 19.704 19.105 18.582 18.128 17.745 17.433 17.225 17.274 17.379 17.557 17.825 18.190 18.637 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.131 28.948 27.104 25.536 24.192 23.031 22.022 21.140 20.366 19.684 19.085 18.560 18.104 17.716 17.396 17.106 17.116 17.165 17.260 17.412 17.629 17.913 18.256 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.105 28.925 27.082 25.515 24.172 23.012 22.003 21.121 20.347 19.665 19.065 18.538 18.080 17.688 17.362 17.011 16.996 17.009 17.056 17.142 17.273 17.453 17.682 17.954 18.255 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.080 28.901 27.060 25.494 24.152 22.993 21.984 21.103 20.328 19.646 19.045 18.517 18.056 17.661 17.330 16.931 16.899 16.889 16.903 16.947 17.025 17.138 17.290 17.479 17.701 17.946 18.205 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.054 28.878 27.038 25.474 24.132 22.974 21.966 21.084 20.309 19.627 19.025 18.496 18.033 17.635 17.299 16.863 16.817 16.790 16.783 16.798 16.840 16.909 17.008 17.138 17.296 17.480 17.683 17.899 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.028 28.854 27.016 25.453 24.113 22.955 21.947 21.066 20.291 19.608 19.006 18.475 18.011 17.609 17.269 16.803 16.747 16.707 16.683 16.679 16.694 16.733 16.795 16.882 16.993 17.128 17.282 17.453 17.635 17.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.002 28.831 26.994 25.432 24.093 22.935 21.928 21.047 20.272 19.589 18.986 18.454 17.988 17.584 17.239 16.749 16.685 16.635 16.599 16.579 16.576 16.591 16.626 16.682 16.758 16.855 16.970 17.102 17.246 17.401 17.562 99999.999 99999.999 99999.999 99999.999 99999.999 30.976 28.807 26.973 25.412 24.073 22.916 21.910 21.029 20.254 19.571 18.967 18.434 17.966 17.559 17.211 16.700 16.629 16.571 16.525 16.493 16.476 16.474 16.489 16.521 16.570 16.637 16.721 16.821 16.934 17.058 17.191 17.329 17.471 99999.999 99999.999 99999.999 30.950 28.784 26.951 25.391 24.054 22.897 21.891 21.010 20.236 19.552 18.948 18.414 17.945 17.535 17.183 16.655 16.579 16.514 16.460 16.419 16.390 16.375 16.374 16.388 16.416 16.460 16.519 16.593 16.679 16.776 16.883 16.998 17.117 17.241 99999.999 99999.999 30.924 28.760 26.929 25.371 24.034 22.878 21.873 20.992 20.218 19.534 18.929 18.394 17.923 17.511 17.156 16.613 16.532 16.462 16.402 16.352 16.315 16.289 16.275 16.274 16.287 16.313 16.352 16.404 16.468 16.542 16.627 16.720 16.819 16.923 17.030 17.140 30.899 28.737 26.907 25.350 24.014 22.859 21.854 20.974 20.199 19.515 18.910 18.375 17.902 17.488 17.129 16.574 16.489 16.414 16.348 16.293 16.247 16.213 16.189 16.177 16.176 16.187 16.210 16.245 16.290 16.346 16.411 16.485 16.565 16.651 16.742 16.836 30.643 28.504 26.691 25.146 23.820 22.672 21.672 20.795 20.022 19.338 18.730 18.189 17.707 17.279 16.899 16.272 16.166 16.066 15.973 15.885 15.804 15.728 15.659 15.595 15.536 15.484 15.437 15.395 15.359 15.327 15.301 15.280 15.264 15.252 15.244 15.241 30.389 28.274 26.477 24.944 23.627 22.487 21.492 20.619 19.849 19.167 18.559 18.016 17.530 17.096 16.706 16.048 15.933 15.824 15.720 15.622 15.528 15.439 15.354 15.274 15.198 15.127 15.059 14.996 14.936 14.880 14.828 14.779 14.733 14.691 14.652 14.616 30.139 28.045 26.264 24.744 23.437 22.304 21.316 20.448 19.681 19.001 18.394 17.851 17.364 16.927 16.532 15.858 15.739 15.626 15.517 15.413 15.313 15.217 15.125 15.038 14.954 14.874 14.798 14.725 14.655 14.588 14.525 14.464 14.407 14.352 14.300 14.250 29.890 27.819 26.054 24.546 23.248 22.124 21.142 20.279 19.517 18.839 18.235 17.693 17.206 16.767 16.371 15.688 15.567 15.451 15.339 15.232 15.128 15.029 14.934 14.842 14.754 14.670 14.588 14.510 14.435 14.363 14.294 14.228 14.164 14.103 14.044 13.987 29.644 27.595 25.845 24.350 23.062 21.946 20.970 20.113 19.355 18.681 18.079 17.539 17.053 16.615 16.218 15.531 15.408 15.291 15.177 15.068 14.963 14.862 14.764 14.670 14.580 14.493 14.409 14.328 14.250 14.174 14.102 14.032 13.965 13.900 13.837 13.776 29.400 27.373 25.639 24.156 22.878 21.770 20.801 19.950 19.196 18.526 17.927 17.390 16.905 16.468 16.071 15.382 15.259 15.141 15.027 14.916 14.810 14.708 14.609 14.514 14.422 14.333 14.247 14.164 14.084 14.007 13.933 13.861 13.791 13.724 13.659 13.596 29.157 27.152 25.434 23.963 22.696 21.596 20.634 19.788 19.040 18.374 17.778 17.243 16.761 16.325 15.929 15.240 15.117 14.998 14.884 14.773 14.666 14.563 14.464 14.368 14.275 14.185 14.098 14.014 13.933 13.855 13.779 13.706 13.635 13.567 13.500 13.436 99999.999 26.934 25.231 23.773 22.515 21.424 20.469 19.629 18.886 18.224 17.632 17.100 16.620 16.186 15.791 15.104 14.981 14.862 14.747 14.636 14.529 14.426 14.326 14.230 14.136 14.046 13.959 13.874 13.793 13.714 13.637 13.563 13.492 13.422 13.355 13.290 FeO+ FeO(+1) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 5 -0.875 1 -0.125 6 1.000 11 0.500 2 0.125 4 15.960 14.449 13.237 12.244 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.960 14.449 13.237 12.244 11.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.959 14.449 13.236 12.243 11.419 10.725 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.958 14.448 13.235 12.242 11.418 10.724 10.134 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.956 14.446 13.233 12.241 11.416 10.723 10.133 9.626 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.952 14.442 13.230 12.238 11.414 10.721 10.131 9.624 9.182 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.947 14.438 13.226 12.234 11.410 10.717 10.128 9.621 9.180 8.790 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.940 14.431 13.219 12.228 11.404 10.712 10.123 9.617 9.176 8.788 8.437 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.931 14.421 13.210 12.219 11.397 10.705 10.117 9.612 9.172 8.784 8.435 8.113 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.918 14.409 13.198 12.208 11.387 10.696 10.109 9.604 9.166 8.779 8.432 8.112 7.810 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.901 14.392 13.183 12.194 11.373 10.684 10.098 9.595 9.157 8.772 8.428 8.111 7.813 7.529 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.879 14.371 13.163 12.175 11.356 10.668 10.084 9.582 9.147 8.764 8.422 8.110 7.817 7.536 7.274 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.862 14.355 13.147 12.161 11.343 10.656 10.073 9.572 9.138 8.757 8.417 8.108 7.820 7.543 7.260 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.838 14.331 13.125 12.140 11.324 10.639 10.057 9.558 9.126 8.747 8.410 8.105 7.823 7.553 7.270 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.814 14.308 13.103 12.120 11.305 10.621 10.041 9.544 9.114 8.737 8.403 8.102 7.825 7.564 7.289 8.076 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.790 14.284 13.081 12.099 11.286 10.604 10.026 9.530 9.102 8.727 8.395 8.098 7.827 7.573 7.311 7.463 7.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.766 14.261 13.059 12.079 11.267 10.587 10.010 9.516 9.089 8.716 8.387 8.093 7.827 7.580 7.331 7.311 7.373 7.505 7.693 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.742 14.238 13.038 12.059 11.248 10.569 9.994 9.502 9.077 8.706 8.379 8.089 7.827 7.587 7.350 7.242 7.251 7.295 7.378 7.493 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.719 14.215 13.016 12.039 11.230 10.552 9.979 9.488 9.064 8.695 8.371 8.083 7.825 7.591 7.366 7.202 7.189 7.194 7.224 7.279 7.353 7.428 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.695 14.192 12.994 12.018 11.211 10.535 9.963 9.474 9.052 8.685 8.362 8.077 7.823 7.594 7.379 7.177 7.151 7.137 7.139 7.158 7.195 7.245 7.297 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.672 14.169 12.973 11.998 11.193 10.518 9.947 9.460 9.040 8.674 8.354 8.071 7.820 7.596 7.389 7.159 7.125 7.101 7.087 7.086 7.098 7.122 7.156 7.193 7.226 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.648 14.147 12.951 11.978 11.174 10.501 9.932 9.446 9.027 8.663 8.345 8.064 7.816 7.596 7.396 7.145 7.107 7.076 7.053 7.039 7.035 7.042 7.058 7.080 7.107 7.133 7.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.625 14.124 12.930 11.959 11.156 10.484 9.916 9.432 9.014 8.652 8.336 8.057 7.812 7.595 7.401 7.135 7.093 7.058 7.029 7.007 6.993 6.987 6.989 6.999 7.015 7.034 7.055 7.075 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.602 14.101 12.909 11.939 11.137 10.467 9.901 9.418 9.002 8.641 8.326 8.050 7.807 7.593 7.403 7.127 7.083 7.044 7.011 6.984 6.963 6.949 6.941 6.941 6.947 6.957 6.972 6.988 7.006 7.024 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.579 14.079 12.888 11.919 11.119 10.450 9.885 9.403 8.989 8.630 8.317 8.042 7.801 7.589 7.403 7.119 7.074 7.033 6.997 6.966 6.941 6.921 6.907 6.898 6.896 6.898 6.906 6.917 6.931 6.947 6.965 99999.999 99999.999 99999.999 99999.999 99999.999 15.556 14.057 12.867 11.899 11.101 10.433 9.870 9.389 8.977 8.619 8.307 8.034 7.795 7.585 7.401 7.113 7.067 7.025 6.987 6.953 6.924 6.900 6.881 6.867 6.858 6.854 6.854 6.859 6.868 6.880 6.895 6.912 6.933 99999.999 99999.999 99999.999 15.533 14.034 12.846 11.880 11.082 10.416 9.854 9.375 8.964 8.608 8.297 8.026 7.788 7.579 7.398 7.108 7.061 7.017 6.978 6.942 6.911 6.884 6.861 6.842 6.829 6.819 6.815 6.814 6.817 6.825 6.835 6.849 6.866 6.886 99999.999 99999.999 15.510 14.012 12.825 11.860 11.064 10.399 9.839 9.361 8.951 8.597 8.288 8.018 7.781 7.574 7.393 7.103 7.055 7.011 6.971 6.934 6.901 6.871 6.846 6.824 6.806 6.793 6.784 6.778 6.777 6.779 6.785 6.795 6.808 6.825 6.845 6.868 15.487 13.990 12.804 11.841 11.046 10.383 9.823 9.347 8.939 8.585 8.278 8.009 7.774 7.568 7.388 7.098 7.050 7.006 6.964 6.927 6.892 6.861 6.833 6.809 6.789 6.772 6.759 6.750 6.745 6.743 6.745 6.750 6.759 6.771 6.787 6.807 15.264 13.773 12.599 11.649 10.868 10.217 9.670 9.207 8.811 8.471 8.176 7.920 7.697 7.503 7.333 7.056 7.009 6.965 6.924 6.884 6.847 6.812 6.779 6.749 6.720 6.693 6.668 6.645 6.623 6.604 6.586 6.570 6.556 6.544 6.534 6.526 15.046 13.561 12.399 11.462 10.693 10.055 9.520 9.068 8.683 8.354 8.071 7.826 7.614 7.430 7.270 7.011 6.967 6.926 6.887 6.850 6.816 6.783 6.752 6.723 6.695 6.669 6.644 6.621 6.599 6.579 6.559 6.541 6.524 6.509 6.494 6.480 14.833 13.354 12.203 11.278 10.522 9.895 9.371 8.929 8.555 8.237 7.964 7.729 7.527 7.353 7.202 6.959 6.919 6.881 6.845 6.811 6.779 6.749 6.721 6.695 6.670 6.646 6.624 6.603 6.583 6.565 6.547 6.531 6.515 6.500 6.487 6.474 14.624 13.151 12.011 11.098 10.353 9.737 9.224 8.792 8.428 8.119 7.855 7.630 7.437 7.271 7.129 6.902 6.865 6.830 6.797 6.766 6.737 6.710 6.685 6.661 6.638 6.618 6.598 6.580 6.562 6.546 6.531 6.517 6.504 6.492 6.480 6.469 14.419 12.951 11.822 10.921 10.187 9.582 9.078 8.657 8.301 8.001 7.746 7.529 7.345 7.187 7.052 6.841 6.806 6.774 6.744 6.716 6.690 6.665 6.642 6.621 6.601 6.583 6.566 6.550 6.535 6.522 6.509 6.498 6.487 6.477 6.468 6.459 14.216 12.754 11.636 10.745 10.023 9.428 8.934 8.522 8.175 7.883 7.637 7.428 7.251 7.100 6.973 6.776 6.744 6.714 6.687 6.661 6.637 6.615 6.595 6.576 6.559 6.543 6.528 6.515 6.503 6.491 6.481 6.472 6.463 6.455 6.448 6.442 14.017 12.560 11.451 10.572 9.860 9.276 8.791 8.388 8.050 7.766 7.527 7.325 7.155 7.012 6.892 6.708 6.678 6.651 6.626 6.603 6.581 6.562 6.544 6.527 6.512 6.498 6.486 6.475 6.465 6.455 6.447 6.440 6.434 6.428 6.423 6.419 99999.999 12.368 11.269 10.401 9.699 9.125 8.650 8.255 7.925 7.649 7.417 7.223 7.060 6.923 6.809 6.637 6.610 6.585 6.562 6.541 6.522 6.505 6.489 6.474 6.462 6.450 6.440 6.430 6.422 6.415 6.409 6.404 6.399 6.395 6.393 6.390 FeO+ FeO(+1) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 4 -1.000 1 1.000 11 0.500 2 0.250 31 -3.053 -2.840 -2.568 -2.270 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.053 -2.840 -2.568 -2.270 -1.962 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.054 -2.841 -2.569 -2.271 -1.962 -1.652 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.055 -2.843 -2.571 -2.272 -1.964 -1.653 -1.346 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.058 -2.845 -2.573 -2.275 -1.966 -1.655 -1.347 -1.046 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.062 -2.849 -2.577 -2.278 -1.969 -1.658 -1.350 -1.049 -0.757 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.069 -2.856 -2.583 -2.284 -1.974 -1.663 -1.355 -1.053 -0.760 -0.478 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.078 -2.865 -2.591 -2.292 -1.982 -1.670 -1.361 -1.059 -0.766 -0.483 -0.212 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.091 -2.877 -2.603 -2.303 -1.992 -1.679 -1.370 -1.067 -0.773 -0.489 -0.218 0.039 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.108 -2.893 -2.619 -2.317 -2.006 -1.692 -1.382 -1.078 -0.783 -0.498 -0.225 0.033 0.279 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.130 -2.915 -2.639 -2.336 -2.023 -1.708 -1.397 -1.092 -0.795 -0.509 -0.235 0.025 0.272 0.518 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.159 -2.943 -2.665 -2.361 -2.046 -1.730 -1.416 -1.110 -0.812 -0.524 -0.248 0.015 0.265 0.506 0.791 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.181 -2.964 -2.685 -2.380 -2.064 -1.746 -1.432 -1.124 -0.825 -0.536 -0.258 0.007 0.259 0.500 0.743 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.213 -2.995 -2.714 -2.407 -2.089 -1.770 -1.454 -1.144 -0.843 -0.552 -0.272 -0.005 0.251 0.494 0.719 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.245 -3.026 -2.743 -2.434 -2.114 -1.793 -1.475 -1.164 -0.861 -0.569 -0.287 -0.016 0.243 0.489 0.713 2.742 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.276 -3.056 -2.772 -2.461 -2.140 -1.816 -1.497 -1.184 -0.880 -0.585 -0.301 -0.028 0.234 0.485 0.712 1.861 2.378 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.308 -3.087 -2.801 -2.488 -2.165 -1.840 -1.519 -1.204 -0.898 -0.602 -0.316 -0.040 0.225 0.480 0.714 1.630 1.909 2.289 2.772 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.339 -3.117 -2.829 -2.514 -2.189 -1.863 -1.540 -1.224 -0.916 -0.619 -0.331 -0.053 0.216 0.475 0.716 1.516 1.719 1.968 2.276 2.641 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.370 -3.147 -2.857 -2.541 -2.214 -1.886 -1.562 -1.244 -0.935 -0.635 -0.346 -0.065 0.206 0.469 0.718 1.444 1.613 1.806 2.031 2.295 2.593 2.908 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.401 -3.177 -2.886 -2.567 -2.239 -1.909 -1.583 -1.264 -0.953 -0.652 -0.360 -0.078 0.196 0.462 0.717 1.394 1.543 1.707 1.890 2.098 2.331 2.586 2.854 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.432 -3.207 -2.914 -2.594 -2.263 -1.932 -1.604 -1.283 -0.971 -0.668 -0.375 -0.091 0.185 0.454 0.715 1.355 1.492 1.639 1.798 1.973 2.166 2.376 2.603 2.838 3.074 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.463 -3.236 -2.942 -2.620 -2.288 -1.955 -1.625 -1.303 -0.989 -0.685 -0.391 -0.105 0.173 0.446 0.711 1.323 1.452 1.588 1.733 1.888 2.055 2.235 2.429 2.634 2.845 3.059 3.270 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.493 -3.266 -2.969 -2.646 -2.312 -1.977 -1.647 -1.323 -1.007 -0.702 -0.406 -0.118 0.162 0.436 0.705 1.297 1.420 1.549 1.683 1.825 1.975 2.135 2.306 2.486 2.674 2.868 3.065 3.261 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.524 -3.295 -2.997 -2.672 -2.336 -2.000 -1.668 -1.342 -1.026 -0.718 -0.421 -0.132 0.150 0.426 0.697 1.274 1.393 1.516 1.644 1.776 1.915 2.061 2.215 2.376 2.546 2.721 2.901 3.084 3.268 3.450 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.554 -3.325 -3.025 -2.698 -2.361 -2.023 -1.689 -1.362 -1.044 -0.735 -0.436 -0.146 0.137 0.414 0.688 1.253 1.370 1.489 1.611 1.737 1.868 2.003 2.145 2.293 2.448 2.608 2.773 2.942 3.114 3.287 3.461 99999.999 99999.999 99999.999 99999.999 99999.999 -3.585 -3.354 -3.052 -2.723 -2.385 -2.045 -1.710 -1.381 -1.062 -0.752 -0.451 -0.160 0.124 0.403 0.677 1.235 1.349 1.465 1.583 1.704 1.829 1.957 2.090 2.228 2.371 2.519 2.672 2.829 2.989 3.151 3.316 3.481 3.647 99999.999 99999.999 99999.999 -3.615 -3.383 -3.080 -2.749 -2.409 -2.067 -1.730 -1.401 -1.080 -0.768 -0.467 -0.174 0.111 0.390 0.666 1.218 1.330 1.444 1.559 1.677 1.797 1.920 2.046 2.176 2.310 2.448 2.591 2.737 2.887 3.039 3.194 3.351 3.509 3.668 99999.999 99999.999 -3.645 -3.412 -3.107 -2.775 -2.432 -2.090 -1.751 -1.420 -1.098 -0.785 -0.482 -0.188 0.098 0.378 0.654 1.202 1.313 1.425 1.538 1.652 1.769 1.888 2.009 2.133 2.260 2.391 2.525 2.662 2.803 2.947 3.093 3.241 3.391 3.543 3.696 3.850 -3.675 -3.441 -3.134 -2.800 -2.456 -2.112 -1.772 -1.439 -1.116 -0.802 -0.497 -0.202 0.085 0.365 0.641 1.188 1.297 1.408 1.519 1.631 1.745 1.860 1.977 2.097 2.219 2.343 2.471 2.601 2.734 2.870 3.008 3.149 3.291 3.435 3.581 3.728 -3.971 -3.725 -3.401 -3.050 -2.690 -2.331 -1.977 -1.630 -1.293 -0.967 -0.650 -0.344 -0.048 0.241 0.522 1.065 1.171 1.277 1.381 1.486 1.589 1.692 1.795 1.898 2.000 2.101 2.203 2.305 2.406 2.508 2.609 2.711 2.813 2.915 3.017 3.120 -4.259 -4.001 -3.661 -3.293 -2.918 -2.544 -2.176 -1.817 -1.468 -1.130 -0.802 -0.486 -0.179 0.117 0.406 0.959 1.066 1.172 1.277 1.381 1.484 1.587 1.688 1.788 1.888 1.986 2.084 2.181 2.277 2.372 2.467 2.560 2.654 2.746 2.838 2.929 -4.541 -4.271 -3.915 -3.531 -3.141 -2.753 -2.372 -2.001 -1.640 -1.291 -0.953 -0.627 -0.311 -0.006 0.290 0.856 0.965 1.073 1.180 1.286 1.391 1.494 1.596 1.697 1.797 1.896 1.994 2.091 2.187 2.282 2.376 2.468 2.560 2.651 2.741 2.830 -4.818 -4.535 -4.163 -3.764 -3.359 -2.957 -2.564 -2.181 -1.810 -1.450 -1.103 -0.767 -0.442 -0.129 0.175 0.754 0.866 0.976 1.085 1.193 1.299 1.405 1.509 1.612 1.713 1.814 1.913 2.011 2.108 2.204 2.299 2.392 2.485 2.576 2.667 2.756 -5.091 -4.796 -4.408 -3.993 -3.573 -3.159 -2.753 -2.359 -1.978 -1.608 -1.251 -0.907 -0.574 -0.252 0.059 0.652 0.766 0.878 0.990 1.100 1.208 1.316 1.422 1.527 1.630 1.732 1.834 1.933 2.032 2.130 2.226 2.321 2.415 2.508 2.600 2.690 -5.361 -5.052 -4.649 -4.218 -3.785 -3.357 -2.940 -2.535 -2.143 -1.764 -1.399 -1.045 -0.704 -0.375 -0.057 0.549 0.665 0.780 0.894 1.006 1.117 1.226 1.334 1.441 1.547 1.651 1.754 1.856 1.956 2.055 2.153 2.250 2.346 2.440 2.533 2.626 -5.627 -5.305 -4.886 -4.441 -3.994 -3.553 -3.125 -2.709 -2.307 -1.919 -1.545 -1.184 -0.835 -0.498 -0.173 0.445 0.564 0.681 0.797 0.912 1.025 1.136 1.246 1.355 1.462 1.569 1.673 1.777 1.879 1.980 2.080 2.178 2.276 2.372 2.467 2.561 99999.999 -5.555 -5.121 -4.661 -4.200 -3.747 -3.307 -2.881 -2.470 -2.073 -1.690 -1.321 -0.965 -0.621 -0.289 0.341 0.462 0.582 0.700 0.816 0.931 1.045 1.157 1.268 1.377 1.485 1.592 1.697 1.801 1.904 2.005 2.106 2.205 2.302 2.399 2.494 FeOH+2 FeOH(+2) P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 5 0.125 1 1.000 11 0.500 2 0.125 4 -0.125 6 11.874 11.004 10.274 9.656 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.874 11.004 10.274 9.656 9.127 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.874 11.004 10.274 9.656 9.127 8.670 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.873 11.004 10.274 9.656 9.127 8.670 8.272 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.873 11.003 10.273 9.655 9.126 8.669 8.272 7.922 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.871 11.002 10.272 9.654 9.125 8.668 8.271 7.921 7.611 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.869 11.000 10.270 9.652 9.124 8.667 8.269 7.920 7.610 7.333 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.867 10.997 10.267 9.650 9.121 8.665 8.267 7.918 7.608 7.332 7.082 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.863 10.993 10.264 9.646 9.118 8.662 8.264 7.915 7.606 7.330 7.080 6.852 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.857 10.988 10.259 9.642 9.114 8.658 8.261 7.912 7.603 7.327 7.078 6.850 6.638 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.851 10.982 10.253 9.636 9.108 8.653 8.256 7.907 7.599 7.323 7.075 6.848 6.637 6.434 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.842 10.973 10.245 9.629 9.101 8.646 8.250 7.901 7.593 7.318 7.071 6.845 6.636 6.437 6.227 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.835 10.967 10.239 9.623 9.096 8.641 8.245 7.897 7.589 7.314 7.067 6.842 6.635 6.438 6.237 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.825 10.957 10.230 9.614 9.088 8.634 8.238 7.890 7.583 7.309 7.062 6.839 6.632 6.439 6.246 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.816 10.948 10.221 9.606 9.080 8.626 8.231 7.884 7.577 7.303 7.058 6.835 6.630 6.438 6.251 5.824 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.806 10.938 10.212 9.597 9.072 8.619 8.224 7.877 7.571 7.298 7.053 6.830 6.627 6.438 6.255 5.918 5.815 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.796 10.929 10.203 9.589 9.064 8.611 8.217 7.871 7.565 7.292 7.048 6.826 6.624 6.437 6.258 5.939 5.865 5.778 5.669 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.786 10.919 10.194 9.581 9.056 8.604 8.210 7.864 7.559 7.287 7.042 6.822 6.621 6.435 6.259 5.949 5.883 5.813 5.735 5.645 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.777 10.910 10.185 9.572 9.048 8.596 8.203 7.858 7.552 7.281 7.037 6.817 6.617 6.433 6.260 5.955 5.893 5.829 5.762 5.691 5.612 5.525 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.767 10.901 10.176 9.564 9.040 8.589 8.196 7.851 7.546 7.275 7.032 6.813 6.613 6.430 6.259 5.958 5.898 5.838 5.777 5.714 5.647 5.575 5.499 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.757 10.891 10.167 9.555 9.033 8.581 8.189 7.844 7.540 7.269 7.027 6.808 6.610 6.428 6.258 5.960 5.902 5.844 5.786 5.727 5.666 5.603 5.538 5.469 5.397 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.747 10.882 10.159 9.547 9.025 8.574 8.182 7.838 7.534 7.264 7.022 6.803 6.606 6.425 6.257 5.960 5.904 5.847 5.792 5.735 5.679 5.621 5.561 5.500 5.437 5.372 5.307 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.738 10.873 10.150 9.539 9.017 8.567 8.175 7.831 7.528 7.258 7.016 6.799 6.601 6.421 6.255 5.960 5.904 5.849 5.795 5.741 5.687 5.632 5.577 5.520 5.463 5.404 5.345 5.285 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.728 10.863 10.141 9.530 9.009 8.559 8.168 7.825 7.522 7.252 7.011 6.794 6.597 6.418 6.253 5.959 5.904 5.850 5.797 5.745 5.692 5.640 5.587 5.534 5.481 5.427 5.372 5.317 5.262 5.207 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.718 10.854 10.132 9.522 9.001 8.552 8.161 7.818 7.515 7.246 7.006 6.789 6.593 6.414 6.250 5.958 5.904 5.851 5.798 5.747 5.696 5.645 5.594 5.544 5.493 5.442 5.391 5.340 5.289 5.238 5.187 99999.999 99999.999 99999.999 99999.999 99999.999 11.709 10.844 10.123 9.514 8.993 8.544 8.154 7.811 7.509 7.241 7.000 6.784 6.588 6.410 6.247 5.957 5.903 5.850 5.799 5.748 5.698 5.649 5.600 5.551 5.502 5.453 5.405 5.356 5.308 5.260 5.213 5.166 5.120 99999.999 99999.999 99999.999 11.699 10.835 10.114 9.505 8.985 8.537 8.147 7.805 7.503 7.235 6.995 6.779 6.584 6.406 6.244 5.955 5.902 5.850 5.799 5.749 5.700 5.651 5.603 5.556 5.509 5.462 5.415 5.369 5.323 5.277 5.232 5.187 5.144 5.101 99999.999 99999.999 11.690 10.826 10.106 9.497 8.977 8.529 8.140 7.798 7.497 7.229 6.989 6.774 6.579 6.402 6.240 5.953 5.900 5.848 5.798 5.749 5.700 5.653 5.606 5.559 5.514 5.468 5.423 5.378 5.334 5.290 5.247 5.204 5.162 5.121 5.081 5.042 11.680 10.817 10.097 9.489 8.970 8.522 8.133 7.792 7.491 7.223 6.984 6.769 6.575 6.398 6.236 5.950 5.898 5.847 5.797 5.748 5.700 5.653 5.607 5.562 5.517 5.473 5.429 5.386 5.343 5.300 5.259 5.217 5.177 5.137 5.098 5.061 11.585 10.724 10.009 9.406 8.892 8.448 8.063 7.726 7.428 7.164 6.929 6.717 6.527 6.354 6.197 5.920 5.870 5.822 5.775 5.729 5.685 5.642 5.600 5.559 5.519 5.480 5.442 5.405 5.368 5.333 5.298 5.264 5.231 5.198 5.166 5.135 11.490 10.633 9.922 9.324 8.814 8.375 7.994 7.660 7.366 7.105 6.873 6.665 6.477 6.308 6.153 5.884 5.836 5.789 5.743 5.699 5.657 5.615 5.575 5.536 5.498 5.461 5.425 5.391 5.357 5.323 5.291 5.260 5.229 5.199 5.170 5.141 11.397 10.542 9.836 9.243 8.737 8.302 7.925 7.595 7.304 7.047 6.817 6.612 6.427 6.260 6.109 5.845 5.798 5.752 5.708 5.665 5.623 5.583 5.544 5.507 5.470 5.434 5.400 5.366 5.334 5.302 5.271 5.241 5.212 5.184 5.156 5.129 11.304 10.452 9.751 9.162 8.661 8.230 7.856 7.530 7.242 6.988 6.761 6.559 6.376 6.212 6.063 5.804 5.758 5.713 5.670 5.628 5.588 5.548 5.510 5.474 5.438 5.404 5.370 5.338 5.306 5.275 5.246 5.217 5.189 5.161 5.135 5.109 11.212 10.363 9.666 9.082 8.585 8.158 7.788 7.465 7.181 6.929 6.705 6.505 6.326 6.164 6.017 5.763 5.717 5.673 5.631 5.590 5.550 5.512 5.475 5.439 5.404 5.371 5.338 5.306 5.276 5.246 5.217 5.189 5.161 5.135 5.109 5.084 11.120 10.274 9.582 9.002 8.510 8.087 7.720 7.401 7.119 6.871 6.650 6.452 6.275 6.115 5.971 5.721 5.676 5.633 5.591 5.551 5.512 5.474 5.438 5.403 5.369 5.336 5.304 5.273 5.243 5.214 5.186 5.159 5.132 5.106 5.081 5.057 11.029 10.186 9.498 8.923 8.435 8.016 7.653 7.337 7.058 6.813 6.594 6.399 6.224 6.067 5.925 5.678 5.634 5.592 5.551 5.511 5.473 5.436 5.401 5.366 5.333 5.301 5.270 5.239 5.210 5.182 5.154 5.127 5.101 5.076 5.052 5.028 99999.999 10.099 9.415 8.844 8.360 7.946 7.586 7.273 6.998 6.755 6.539 6.346 6.174 6.019 5.878 5.636 5.593 5.551 5.511 5.472 5.434 5.398 5.363 5.329 5.296 5.265 5.234 5.205 5.176 5.148 5.121 5.095 5.069 5.045 5.021 4.998 FeOH+2 FeOH(+2) P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 3 1.000 11 0.500 2 0.250 31 -7.138 -6.285 -5.530 -4.858 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.138 -6.285 -5.530 -4.858 -4.254 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.139 -6.286 -5.531 -4.858 -4.254 -3.707 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.139 -6.287 -5.532 -4.859 -4.255 -3.707 -3.208 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.141 -6.288 -5.533 -4.860 -4.256 -3.709 -3.209 -2.750 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.143 -6.290 -5.535 -4.862 -4.258 -3.710 -3.211 -2.752 -2.327 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.147 -6.294 -5.538 -4.865 -4.261 -3.713 -3.214 -2.755 -2.330 -1.935 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.152 -6.298 -5.543 -4.870 -4.265 -3.717 -3.217 -2.758 -2.334 -1.938 -1.568 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.159 -6.305 -5.549 -4.876 -4.271 -3.723 -3.223 -2.763 -2.339 -1.943 -1.573 -1.222 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.168 -6.314 -5.558 -4.884 -4.278 -3.730 -3.230 -2.770 -2.345 -1.950 -1.579 -1.229 -0.894 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.180 -6.326 -5.569 -4.894 -4.288 -3.739 -3.239 -2.779 -2.354 -1.958 -1.588 -1.238 -0.904 -0.576 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.196 -6.341 -5.583 -4.908 -4.301 -3.752 -3.251 -2.790 -2.365 -1.969 -1.599 -1.250 -0.917 -0.593 -0.256 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.208 -6.352 -5.594 -4.918 -4.311 -3.761 -3.260 -2.799 -2.374 -1.978 -1.608 -1.259 -0.926 -0.605 -0.280 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.225 -6.369 -5.610 -4.933 -4.325 -3.775 -3.273 -2.812 -2.386 -1.990 -1.620 -1.271 -0.940 -0.621 -0.305 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.243 -6.386 -5.626 -4.948 -4.339 -3.788 -3.286 -2.824 -2.398 -2.002 -1.632 -1.283 -0.953 -0.636 -0.325 0.490 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.260 -6.402 -5.641 -4.963 -4.353 -3.802 -3.299 -2.837 -2.411 -2.014 -1.644 -1.296 -0.966 -0.650 -0.343 0.315 0.503 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.278 -6.419 -5.657 -4.978 -4.368 -3.815 -3.312 -2.849 -2.423 -2.026 -1.656 -1.308 -0.978 -0.664 -0.359 0.259 0.401 0.562 0.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.295 -6.435 -5.673 -4.992 -4.382 -3.829 -3.324 -2.862 -2.435 -2.038 -1.668 -1.319 -0.990 -0.677 -0.374 0.224 0.351 0.486 0.633 0.793 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.312 -6.452 -5.688 -5.007 -4.396 -3.842 -3.337 -2.874 -2.447 -2.050 -1.679 -1.331 -1.002 -0.689 -0.389 0.197 0.317 0.441 0.570 0.707 0.852 1.005 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.329 -6.468 -5.704 -5.022 -4.409 -3.855 -3.350 -2.886 -2.459 -2.061 -1.691 -1.343 -1.014 -0.702 -0.402 0.175 0.291 0.408 0.529 0.653 0.782 0.917 1.056 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.346 -6.485 -5.719 -5.036 -4.423 -3.868 -3.363 -2.899 -2.471 -2.073 -1.702 -1.354 -1.026 -0.714 -0.416 0.155 0.268 0.382 0.497 0.614 0.734 0.858 0.984 1.114 1.245 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.364 -6.501 -5.735 -5.051 -4.437 -3.882 -3.375 -2.911 -2.482 -2.085 -1.714 -1.366 -1.037 -0.726 -0.428 0.138 0.249 0.360 0.471 0.584 0.698 0.814 0.933 1.053 1.175 1.298 1.421 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.381 -6.517 -5.750 -5.066 -4.451 -3.895 -3.388 -2.923 -2.494 -2.096 -1.725 -1.377 -1.049 -0.738 -0.441 0.122 0.231 0.340 0.449 0.559 0.669 0.780 0.893 1.007 1.122 1.238 1.355 1.471 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.398 -6.534 -5.765 -5.080 -4.465 -3.908 -3.400 -2.935 -2.506 -2.108 -1.736 -1.388 -1.060 -0.749 -0.453 0.107 0.215 0.323 0.430 0.537 0.644 0.752 0.860 0.970 1.080 1.190 1.302 1.413 1.524 1.634 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.415 -6.550 -5.781 -5.095 -4.478 -3.921 -3.413 -2.947 -2.517 -2.119 -1.747 -1.399 -1.071 -0.761 -0.465 0.092 0.200 0.306 0.412 0.517 0.623 0.728 0.833 0.939 1.045 1.152 1.258 1.365 1.472 1.578 1.683 99999.999 99999.999 99999.999 99999.999 99999.999 -7.432 -6.566 -5.796 -5.109 -4.492 -3.934 -3.425 -2.959 -2.529 -2.130 -1.758 -1.410 -1.082 -0.772 -0.477 0.078 0.185 0.291 0.395 0.499 0.603 0.706 0.809 0.912 1.016 1.119 1.222 1.326 1.429 1.532 1.633 1.734 1.834 99999.999 99999.999 99999.999 -7.449 -6.582 -5.811 -5.123 -4.506 -3.947 -3.438 -2.971 -2.541 -2.141 -1.769 -1.421 -1.093 -0.783 -0.488 0.065 0.171 0.276 0.380 0.483 0.585 0.687 0.788 0.889 0.990 1.091 1.191 1.292 1.392 1.492 1.591 1.689 1.787 1.883 99999.999 99999.999 -7.466 -6.598 -5.826 -5.138 -4.519 -3.960 -3.450 -2.983 -2.552 -2.153 -1.780 -1.432 -1.104 -0.794 -0.499 0.052 0.158 0.262 0.365 0.467 0.569 0.669 0.769 0.868 0.967 1.066 1.164 1.263 1.360 1.458 1.554 1.650 1.745 1.839 1.932 2.024 -7.483 -6.614 -5.841 -5.152 -4.533 -3.973 -3.463 -2.995 -2.564 -2.164 -1.791 -1.443 -1.115 -0.805 -0.510 0.040 0.145 0.249 0.351 0.453 0.553 0.652 0.751 0.849 0.947 1.044 1.140 1.237 1.332 1.427 1.522 1.616 1.709 1.801 1.892 1.982 -7.650 -6.773 -5.991 -5.293 -4.666 -4.100 -3.584 -3.111 -2.676 -2.273 -1.898 -1.547 -1.218 -0.908 -0.615 -0.071 0.032 0.133 0.233 0.331 0.427 0.522 0.615 0.708 0.799 0.888 0.977 1.065 1.151 1.237 1.321 1.405 1.487 1.569 1.649 1.729 -7.815 -6.929 -6.138 -5.431 -4.797 -4.224 -3.702 -3.225 -2.785 -2.379 -2.000 -1.647 -1.317 -1.005 -0.711 -0.168 -0.066 0.035 0.133 0.230 0.326 0.419 0.511 0.602 0.691 0.779 0.865 0.950 1.034 1.117 1.198 1.279 1.358 1.436 1.514 1.590 -7.978 -7.083 -6.282 -5.567 -4.925 -4.345 -3.818 -3.336 -2.892 -2.481 -2.100 -1.744 -1.411 -1.098 -0.803 -0.258 -0.156 -0.056 0.043 0.140 0.235 0.328 0.419 0.509 0.598 0.685 0.771 0.855 0.938 1.019 1.100 1.179 1.257 1.334 1.410 1.485 -8.139 -7.234 -6.424 -5.700 -5.051 -4.465 -3.932 -3.444 -2.996 -2.582 -2.197 -1.839 -1.503 -1.188 -0.891 -0.344 -0.241 -0.141 -0.042 0.055 0.150 0.243 0.335 0.424 0.513 0.600 0.685 0.769 0.852 0.933 1.013 1.092 1.170 1.246 1.321 1.396 -8.299 -7.384 -6.564 -5.832 -5.175 -4.582 -4.044 -3.551 -3.098 -2.680 -2.292 -1.931 -1.592 -1.275 -0.976 -0.426 -0.323 -0.222 -0.123 -0.026 0.069 0.163 0.254 0.344 0.433 0.520 0.605 0.689 0.772 0.853 0.933 1.012 1.090 1.166 1.241 1.315 -8.457 -7.532 -6.702 -5.962 -5.298 -4.698 -4.154 -3.656 -3.199 -2.777 -2.386 -2.021 -1.680 -1.360 -1.059 -0.506 -0.403 -0.301 -0.202 -0.104 -0.008 0.085 0.178 0.268 0.357 0.444 0.530 0.614 0.697 0.778 0.858 0.937 1.015 1.091 1.166 1.240 -8.614 -7.679 -6.840 -6.090 -5.419 -4.813 -4.263 -3.760 -3.299 -2.872 -2.477 -2.110 -1.766 -1.444 -1.141 -0.584 -0.480 -0.378 -0.278 -0.180 -0.083 0.011 0.103 0.194 0.283 0.371 0.457 0.541 0.625 0.706 0.787 0.866 0.943 1.020 1.095 1.169 99999.999 -7.824 -6.975 -6.218 -5.539 -4.926 -4.370 -3.863 -3.397 -2.967 -2.568 -2.197 -1.851 -1.526 -1.221 -0.660 -0.555 -0.453 -0.352 -0.253 -0.157 -0.062 0.031 0.123 0.212 0.300 0.386 0.471 0.555 0.637 0.717 0.797 0.875 0.952 1.027 1.102 FeO2- FeO2(-1) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 5 -2.875 1 -0.125 6 1.000 11 1.500 2 0.125 4 33.514 30.420 27.905 25.828 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.514 30.420 27.905 25.828 24.092 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.514 30.420 27.905 25.828 24.092 22.627 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.514 30.420 27.905 25.828 24.092 22.626 21.380 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.514 30.420 27.905 25.828 24.092 22.626 21.380 20.313 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.513 30.419 27.904 25.827 24.091 22.626 21.380 20.313 19.397 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.513 30.419 27.904 25.827 24.091 22.626 21.379 20.312 19.396 18.607 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.511 30.418 27.903 25.826 24.090 22.625 21.378 20.312 19.395 18.606 17.927 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.510 30.417 27.902 25.825 24.089 22.624 21.378 20.311 19.394 18.605 17.925 17.347 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.508 30.415 27.901 25.824 24.088 22.623 21.376 20.309 19.392 18.602 17.922 17.342 16.867 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.505 30.413 27.899 25.823 24.087 22.621 21.375 20.308 19.390 18.600 17.919 17.337 16.854 16.516 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.501 30.410 27.897 25.820 24.084 22.619 21.372 20.305 19.388 18.597 17.915 17.330 16.842 16.472 16.400 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.498 30.408 27.895 25.818 24.083 22.617 21.371 20.303 19.385 18.594 17.911 17.326 16.834 16.449 16.250 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.493 30.404 27.892 25.816 24.080 22.615 21.368 20.300 19.382 18.590 17.907 17.320 16.824 16.425 16.149 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.488 30.401 27.889 25.813 24.077 22.612 21.365 20.297 19.379 18.587 17.903 17.315 16.816 16.409 16.097 19.161 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.483 30.397 27.885 25.810 24.074 22.609 21.362 20.294 19.376 18.583 17.899 17.310 16.810 16.396 16.066 16.982 17.957 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.478 30.393 27.882 25.807 24.071 22.606 21.359 20.291 19.372 18.579 17.894 17.305 16.804 16.387 16.048 16.416 16.791 17.440 18.420 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.473 30.389 27.879 25.804 24.068 22.603 21.356 20.288 19.369 18.576 17.890 17.300 16.798 16.378 16.035 16.134 16.317 16.628 17.110 17.782 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.468 30.385 27.875 25.800 24.065 22.600 21.353 20.285 19.366 18.572 17.886 17.296 16.792 16.371 16.025 15.956 16.051 16.219 16.482 16.862 17.363 17.956 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.463 30.381 27.871 25.797 24.062 22.597 21.350 20.282 19.362 18.568 17.882 17.291 16.786 16.364 16.016 15.831 15.875 15.968 16.121 16.349 16.659 17.052 17.512 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.457 30.377 27.868 25.793 24.058 22.593 21.346 20.278 19.359 18.564 17.878 17.286 16.781 16.357 16.008 15.737 15.749 15.796 15.885 16.026 16.224 16.484 16.805 17.175 17.576 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.451 30.372 27.864 25.790 24.055 22.590 21.343 20.275 19.355 18.561 17.874 17.281 16.775 16.349 15.999 15.663 15.652 15.669 15.717 15.803 15.932 16.106 16.329 16.597 16.903 17.235 17.581 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.446 30.368 27.860 25.786 24.051 22.586 21.340 20.271 19.352 18.557 17.869 17.276 16.769 16.341 15.990 15.603 15.575 15.570 15.591 15.640 15.722 15.840 15.995 16.188 16.416 16.675 16.956 17.251 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.440 30.363 27.856 25.782 24.048 22.583 21.336 20.268 19.348 18.553 17.865 17.272 16.763 16.334 15.980 15.552 15.512 15.491 15.491 15.515 15.564 15.642 15.750 15.888 16.058 16.256 16.478 16.720 16.975 17.237 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.434 30.359 27.852 25.779 24.044 22.579 21.333 20.264 19.344 18.549 17.861 17.267 16.757 16.325 15.969 15.509 15.459 15.426 15.411 15.415 15.441 15.489 15.563 15.662 15.787 15.937 16.111 16.305 16.515 16.738 16.969 99999.999 99999.999 99999.999 99999.999 99999.999 33.428 30.354 27.847 25.775 24.040 22.576 21.329 20.261 19.341 18.545 17.857 17.261 16.750 16.317 15.957 15.472 15.414 15.371 15.344 15.333 15.341 15.368 15.416 15.485 15.576 15.690 15.824 15.978 16.149 16.334 16.531 16.736 16.947 99999.999 99999.999 99999.999 33.422 30.349 27.843 25.771 24.036 22.572 21.325 20.257 19.337 18.541 17.852 17.256 16.744 16.308 15.945 15.440 15.375 15.324 15.287 15.265 15.259 15.269 15.297 15.343 15.409 15.493 15.596 15.717 15.855 16.007 16.172 16.347 16.530 16.719 99999.999 99999.999 33.416 30.344 27.839 25.767 24.033 22.568 21.321 20.253 19.333 18.537 17.848 17.251 16.737 16.300 15.933 15.411 15.341 15.283 15.238 15.207 15.189 15.187 15.199 15.227 15.272 15.334 15.412 15.506 15.616 15.740 15.876 16.024 16.181 16.346 16.516 16.692 33.410 30.339 27.834 25.762 24.029 22.564 21.318 20.249 19.329 18.533 17.844 17.246 16.731 16.291 15.921 15.385 15.310 15.247 15.196 15.157 15.130 15.117 15.117 15.131 15.159 15.203 15.260 15.333 15.420 15.519 15.632 15.755 15.888 16.030 16.179 16.333 33.344 30.285 27.786 25.717 23.986 22.523 21.277 20.209 19.289 18.492 17.800 17.199 16.676 16.223 15.832 15.219 15.121 15.031 14.948 14.873 14.804 14.743 14.689 14.642 14.602 14.568 14.541 14.521 14.507 14.499 14.497 14.502 14.513 14.529 14.550 14.577 33.272 30.225 27.732 25.667 23.938 22.477 21.232 20.165 19.245 18.449 17.756 17.153 16.627 16.168 15.769 15.126 15.019 14.920 14.826 14.739 14.658 14.582 14.512 14.448 14.388 14.334 14.284 14.240 14.199 14.164 14.132 14.104 14.081 14.061 14.045 14.032 33.197 30.161 27.675 25.614 23.887 22.428 21.184 20.118 19.200 18.404 17.711 17.108 16.580 16.119 15.716 15.058 14.948 14.843 14.745 14.653 14.565 14.484 14.407 14.335 14.268 14.205 14.146 14.092 14.041 13.995 13.951 13.911 13.875 13.841 13.811 13.783 33.118 30.095 27.614 25.558 23.834 22.376 21.135 20.070 19.152 18.357 17.665 17.062 16.534 16.072 15.667 15.002 14.889 14.783 14.682 14.587 14.497 14.412 14.331 14.256 14.185 14.118 14.055 13.995 13.940 13.888 13.839 13.793 13.751 13.711 13.674 13.640 33.036 30.025 27.552 25.499 23.779 22.323 21.083 20.020 19.103 18.309 17.618 17.016 16.488 16.026 15.620 14.951 14.838 14.730 14.628 14.531 14.439 14.352 14.270 14.193 14.119 14.050 13.985 13.923 13.865 13.810 13.758 13.710 13.664 13.621 13.581 13.543 32.953 29.955 27.488 25.439 23.722 22.269 21.031 19.969 19.054 18.261 17.571 16.969 16.442 15.980 15.574 14.904 14.790 14.681 14.578 14.481 14.388 14.300 14.217 14.138 14.064 13.993 13.926 13.863 13.804 13.747 13.694 13.644 13.596 13.552 13.510 13.470 32.868 29.882 27.422 25.378 23.664 22.214 20.978 19.918 19.004 18.212 17.523 16.922 16.396 15.934 15.529 14.858 14.744 14.635 14.532 14.434 14.341 14.252 14.169 14.089 14.014 13.943 13.875 13.811 13.751 13.693 13.639 13.588 13.540 13.494 13.451 13.410 99999.999 29.809 27.356 25.316 23.606 22.158 20.924 19.866 18.953 18.163 17.475 16.875 16.349 15.889 15.484 14.814 14.699 14.590 14.487 14.389 14.296 14.207 14.123 14.043 13.968 13.896 13.828 13.763 13.702 13.645 13.590 13.538 13.489 13.443 13.400 13.358 FeO2- FeO2(-1) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 4 -3.000 1 1.000 11 1.500 2 0.250 31 14.502 13.130 12.100 11.314 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.502 13.130 12.100 11.314 10.711 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.502 13.130 12.100 11.314 10.711 10.249 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.501 13.130 12.099 11.313 10.710 10.249 9.900 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.500 13.129 12.099 11.312 10.709 10.248 9.899 9.641 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.499 13.127 12.097 11.311 10.708 10.247 9.898 9.640 9.458 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.496 13.125 12.095 11.309 10.707 10.245 9.896 9.638 9.456 9.339 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.493 13.122 12.093 11.307 10.704 10.243 9.894 9.636 9.453 9.336 9.278 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.488 13.118 12.089 11.303 10.701 10.240 9.890 9.632 9.449 9.332 9.272 9.273 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.482 13.113 12.084 11.299 10.696 10.235 9.886 9.627 9.444 9.326 9.265 9.263 9.335 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.474 13.106 12.077 11.292 10.690 10.229 9.880 9.621 9.438 9.318 9.256 9.250 9.313 9.506 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.463 13.096 12.069 11.284 10.682 10.221 9.872 9.613 9.429 9.309 9.245 9.236 9.289 9.442 9.917 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.454 13.089 12.062 11.278 10.676 10.215 9.866 9.607 9.423 9.301 9.237 9.225 9.273 9.406 9.733 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.442 13.078 12.052 11.268 10.667 10.206 9.857 9.598 9.413 9.291 9.225 9.211 9.252 9.366 9.598 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.430 13.067 12.042 11.259 10.658 10.197 9.848 9.589 9.404 9.281 9.213 9.197 9.234 9.334 9.520 13.826 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.417 13.057 12.032 11.250 10.649 10.189 9.840 9.580 9.394 9.271 9.202 9.184 9.217 9.309 9.468 11.380 12.645 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.405 13.046 12.022 11.240 10.640 10.180 9.831 9.571 9.385 9.261 9.191 9.171 9.201 9.287 9.431 10.736 11.327 12.224 13.500 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.392 13.034 12.012 11.231 10.630 10.171 9.822 9.562 9.376 9.251 9.180 9.159 9.187 9.267 9.401 10.408 10.785 11.301 12.008 12.930 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.379 13.023 12.002 11.221 10.621 10.162 9.813 9.553 9.367 9.241 9.170 9.147 9.173 9.249 9.376 10.198 10.475 10.830 11.290 11.878 12.603 13.436 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.366 13.012 11.992 11.211 10.612 10.153 9.804 9.544 9.357 9.232 9.159 9.135 9.159 9.232 9.354 10.048 10.267 10.538 10.873 11.288 11.795 12.394 13.070 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.353 13.001 11.981 11.201 10.603 10.144 9.795 9.535 9.348 9.222 9.149 9.124 9.145 9.215 9.334 9.933 10.115 10.334 10.597 10.913 11.292 11.738 12.251 12.820 13.424 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.340 12.989 11.971 11.192 10.593 10.134 9.786 9.526 9.339 9.212 9.138 9.112 9.132 9.199 9.314 9.841 9.997 10.181 10.397 10.652 10.951 11.300 11.700 12.150 12.641 13.161 13.696 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.327 12.978 11.960 11.182 10.584 10.125 9.777 9.517 9.330 9.203 9.128 9.101 9.119 9.183 9.294 9.764 9.902 10.061 10.245 10.458 10.705 10.988 11.311 11.674 12.075 12.509 12.966 13.437 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.314 12.967 11.950 11.172 10.574 10.116 9.768 9.508 9.321 9.193 9.118 9.090 9.106 9.167 9.274 9.699 9.823 9.963 10.124 10.307 10.516 10.754 11.023 11.324 11.657 12.020 12.408 12.816 13.236 13.663 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.301 12.955 11.939 11.162 10.565 10.107 9.759 9.499 9.312 9.184 9.108 9.079 9.093 9.151 9.254 9.643 9.755 9.881 10.024 10.186 10.368 10.572 10.801 11.057 11.339 11.647 11.978 12.330 12.699 13.078 13.465 99999.999 99999.999 99999.999 99999.999 99999.999 14.288 12.943 11.928 11.152 10.555 10.097 9.750 9.490 9.302 9.174 9.098 9.067 9.080 9.135 9.234 9.594 9.696 9.811 9.940 10.085 10.246 10.426 10.626 10.847 11.090 11.355 11.641 11.947 12.270 12.606 12.952 13.305 13.661 99999.999 99999.999 99999.999 14.274 12.932 11.918 11.142 10.546 10.088 9.741 9.481 9.293 9.165 9.088 9.056 9.067 9.119 9.214 9.550 9.645 9.751 9.868 9.999 10.144 10.305 10.482 10.677 10.890 11.122 11.372 11.640 11.924 12.222 12.531 12.849 13.173 13.501 99999.999 99999.999 14.261 12.920 11.907 11.132 10.536 10.079 9.731 9.472 9.284 9.156 9.078 9.045 9.054 9.104 9.194 9.511 9.599 9.697 9.806 9.926 10.058 10.203 10.362 10.536 10.726 10.932 11.153 11.390 11.642 11.907 12.184 12.470 12.764 13.064 13.368 13.674 14.247 12.908 11.896 11.122 10.526 10.069 9.722 9.463 9.275 9.146 9.068 9.035 9.042 9.089 9.175 9.475 9.558 9.649 9.750 9.861 9.983 10.116 10.261 10.418 10.589 10.774 10.972 11.184 11.409 11.647 11.895 12.154 12.420 12.694 12.972 13.255 14.109 12.788 11.786 11.018 10.428 9.975 9.630 9.372 9.184 9.055 8.974 8.934 8.931 8.961 9.021 9.228 9.283 9.342 9.406 9.474 9.546 9.623 9.705 9.791 9.881 9.977 10.076 10.181 10.289 10.403 10.521 10.643 10.769 10.899 11.034 11.172 13.967 12.663 11.673 10.912 10.327 9.878 9.536 9.280 9.094 8.965 8.883 8.841 8.833 8.855 8.904 9.074 9.118 9.166 9.216 9.270 9.326 9.386 9.448 9.513 9.581 9.651 9.724 9.799 9.877 9.957 10.039 10.124 10.210 10.298 10.388 10.480 13.822 12.537 11.557 10.805 10.225 9.780 9.442 9.188 9.004 8.876 8.794 8.752 8.742 8.761 8.804 8.955 8.994 9.036 9.080 9.127 9.177 9.228 9.282 9.338 9.396 9.455 9.517 9.580 9.645 9.712 9.780 9.849 9.920 9.992 10.065 10.139 13.675 12.409 11.440 10.696 10.122 9.682 9.347 9.096 8.914 8.788 8.707 8.665 8.655 8.672 8.713 8.854 8.890 8.929 8.970 9.013 9.059 9.106 9.155 9.207 9.259 9.314 9.370 9.427 9.486 9.545 9.607 9.669 9.732 9.796 9.861 9.927 13.526 12.279 11.322 10.586 10.018 9.583 9.252 9.004 8.824 8.700 8.621 8.580 8.570 8.587 8.626 8.762 8.797 8.834 8.874 8.915 8.958 9.003 9.050 9.098 9.148 9.199 9.252 9.306 9.361 9.418 9.475 9.533 9.592 9.652 9.713 9.774 13.375 12.149 11.204 10.475 9.914 9.484 9.157 8.913 8.735 8.613 8.536 8.496 8.487 8.504 8.544 8.677 8.711 8.747 8.786 8.826 8.868 8.911 8.957 9.003 9.052 9.101 9.152 9.204 9.257 9.311 9.366 9.422 9.479 9.537 9.595 9.654 13.224 12.017 11.085 10.365 9.810 9.385 9.062 8.821 8.647 8.527 8.451 8.413 8.405 8.423 8.463 8.596 8.630 8.666 8.703 8.743 8.784 8.827 8.871 8.917 8.964 9.013 9.062 9.113 9.165 9.218 9.272 9.326 9.382 9.438 9.495 9.552 99999.999 11.886 10.965 10.254 9.706 9.286 8.968 8.730 8.559 8.441 8.368 8.331 8.325 8.344 8.385 8.518 8.552 8.587 8.625 8.664 8.705 8.747 8.791 8.837 8.883 8.931 8.980 9.030 9.081 9.133 9.186 9.240 9.295 9.350 9.406 9.462 HFeO2,aq HFeO2(+0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 5 -1.875 1 -0.125 6 1.000 11 1.500 2 0.125 4 23.284 20.818 18.861 17.279 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.284 20.818 18.861 17.279 15.981 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.284 20.818 18.861 17.279 15.981 14.904 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.284 20.818 18.861 17.279 15.981 14.904 13.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.284 20.818 18.861 17.279 15.981 14.904 14.000 13.233 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.284 20.819 18.862 17.280 15.982 14.905 14.001 13.234 12.575 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.285 20.819 18.863 17.281 15.983 14.906 14.002 13.235 12.577 12.004 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.285 20.820 18.864 17.282 15.984 14.908 14.004 13.238 12.580 12.007 11.497 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.286 20.821 18.865 17.283 15.986 14.910 14.007 13.241 12.584 12.012 11.504 11.039 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.287 20.823 18.867 17.285 15.989 14.913 14.010 13.245 12.589 12.019 11.513 11.051 10.618 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.288 20.824 18.869 17.288 15.992 14.916 14.014 13.250 12.596 12.027 11.525 11.067 10.640 10.237 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.289 20.827 18.872 17.291 15.995 14.920 14.020 13.257 12.604 12.038 11.539 11.088 10.668 10.268 9.918 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.290 20.828 18.874 17.293 15.998 14.924 14.024 13.262 12.610 12.046 11.549 11.102 10.689 10.295 9.896 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.291 20.830 18.876 17.297 16.002 14.928 14.029 13.268 12.618 12.056 11.564 11.123 10.719 10.336 9.928 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.292 20.832 18.879 17.300 16.005 14.932 14.034 13.275 12.626 12.067 11.577 11.142 10.747 10.376 9.981 11.874 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.293 20.834 18.881 17.302 16.008 14.936 14.039 13.281 12.634 12.076 11.590 11.160 10.773 10.414 10.039 10.613 11.145 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.293 20.836 18.883 17.305 16.012 14.940 14.044 13.287 12.641 12.086 11.603 11.178 10.798 10.450 10.097 10.313 10.497 10.828 11.286 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.294 20.837 18.885 17.307 16.014 14.944 14.048 13.292 12.648 12.094 11.614 11.193 10.821 10.484 10.151 10.185 10.259 10.402 10.631 10.931 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.294 20.838 18.887 17.309 16.017 14.947 14.052 13.297 12.655 12.103 11.625 11.208 10.842 10.514 10.200 10.119 10.143 10.206 10.320 10.488 10.700 10.922 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.294 20.839 18.888 17.312 16.020 14.950 14.056 13.302 12.661 12.111 11.636 11.222 10.861 10.542 10.245 10.083 10.079 10.102 10.156 10.247 10.376 10.534 10.702 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.293 20.840 18.890 17.313 16.022 14.953 14.060 13.307 12.667 12.119 11.645 11.235 10.878 10.567 10.284 10.062 10.042 10.041 10.062 10.109 10.183 10.284 10.406 10.538 10.665 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.293 20.840 18.891 17.315 16.024 14.956 14.064 13.312 12.673 12.126 11.655 11.247 10.894 10.589 10.317 10.051 10.020 10.004 10.005 10.024 10.064 10.125 10.207 10.304 10.411 10.518 10.619 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.292 20.841 18.892 17.317 16.026 14.959 14.067 13.316 12.678 12.133 11.664 11.259 10.909 10.608 10.346 10.046 10.008 9.982 9.969 9.970 9.987 10.022 10.073 10.141 10.221 10.309 10.402 10.493 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.291 20.841 18.893 17.318 16.028 14.961 14.070 13.320 12.683 12.139 11.672 11.269 10.922 10.625 10.370 10.046 10.003 9.969 9.947 9.936 9.938 9.953 9.983 10.027 10.084 10.152 10.227 10.308 10.392 10.477 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.290 20.841 18.894 17.319 16.030 14.963 14.073 13.324 12.688 12.146 11.680 11.279 10.934 10.640 10.389 10.048 10.001 9.963 9.933 9.914 9.905 9.907 9.922 9.948 9.986 10.035 10.094 10.160 10.233 10.310 10.390 99999.999 99999.999 99999.999 99999.999 99999.999 23.289 20.841 18.894 17.320 16.032 14.966 14.076 13.328 12.693 12.152 11.687 11.288 10.945 10.653 10.406 10.053 10.003 9.961 9.926 9.901 9.884 9.877 9.879 9.892 9.916 9.949 9.993 10.045 10.104 10.170 10.242 10.319 10.401 99999.999 99999.999 99999.999 23.288 20.841 18.895 17.321 16.033 14.968 14.079 13.331 12.698 12.157 11.694 11.296 10.955 10.664 10.419 10.059 10.007 9.962 9.924 9.893 9.871 9.856 9.850 9.853 9.866 9.887 9.917 9.956 10.003 10.058 10.119 10.186 10.259 10.339 99999.999 99999.999 23.287 20.841 18.895 17.322 16.034 14.969 14.081 13.335 12.702 12.163 11.701 11.305 10.965 10.675 10.430 10.066 10.012 9.965 9.924 9.890 9.863 9.843 9.831 9.826 9.830 9.842 9.861 9.889 9.925 9.968 10.019 10.076 10.140 10.210 10.286 10.370 23.285 20.840 18.896 17.323 16.036 14.971 14.084 13.338 12.706 12.168 11.708 11.312 10.974 10.685 10.441 10.074 10.019 9.970 9.927 9.890 9.860 9.836 9.819 9.808 9.805 9.809 9.820 9.839 9.865 9.898 9.939 9.986 10.040 10.101 10.168 10.242 23.262 20.830 18.892 17.324 16.041 14.982 14.100 13.361 12.738 12.210 11.760 11.376 11.048 10.769 10.532 10.165 10.107 10.054 10.004 9.959 9.917 9.880 9.846 9.815 9.789 9.765 9.745 9.728 9.715 9.705 9.698 9.695 9.695 9.698 9.705 9.715 23.229 20.810 18.879 17.316 16.037 14.983 14.106 13.373 12.756 12.236 11.795 11.420 11.102 10.831 10.603 10.250 10.193 10.141 10.093 10.048 10.007 9.970 9.935 9.904 9.875 9.849 9.825 9.804 9.786 9.769 9.755 9.742 9.732 9.724 9.717 9.712 23.188 20.782 18.858 17.301 16.027 14.976 14.104 13.375 12.765 12.251 11.817 11.451 11.140 10.878 10.657 10.319 10.265 10.215 10.170 10.127 10.089 10.053 10.021 9.991 9.964 9.939 9.917 9.897 9.879 9.863 9.849 9.837 9.826 9.816 9.808 9.802 23.140 20.749 18.832 17.280 16.010 14.964 14.095 13.372 12.766 12.258 11.830 11.470 11.167 10.912 10.698 10.374 10.323 10.276 10.232 10.193 10.157 10.123 10.093 10.066 10.041 10.019 9.999 9.982 9.966 9.952 9.940 9.929 9.920 9.913 9.906 9.901 23.087 20.711 18.802 17.255 15.989 14.947 14.082 13.363 12.761 12.258 11.836 11.482 11.184 10.936 10.729 10.417 10.368 10.324 10.283 10.246 10.212 10.181 10.154 10.129 10.107 10.087 10.069 10.054 10.041 10.029 10.019 10.011 10.005 9.999 9.995 9.992 23.031 20.670 18.768 17.226 15.965 14.926 14.066 13.350 12.752 12.253 11.836 11.486 11.195 10.952 10.751 10.450 10.404 10.362 10.323 10.288 10.257 10.228 10.203 10.180 10.160 10.143 10.128 10.114 10.103 10.094 10.087 10.081 10.076 10.073 10.072 10.071 22.972 20.625 18.731 17.194 15.938 14.903 14.046 13.333 12.740 12.244 11.831 11.486 11.199 10.961 10.765 10.476 10.431 10.391 10.355 10.322 10.293 10.266 10.243 10.222 10.204 10.189 10.176 10.165 10.155 10.148 10.143 10.139 10.137 10.136 10.136 10.138 99999.999 20.579 18.692 17.160 15.908 14.877 14.023 13.314 12.724 12.232 11.823 11.482 11.199 10.966 10.774 10.494 10.452 10.414 10.379 10.348 10.321 10.296 10.275 10.256 10.240 10.226 10.215 10.205 10.198 10.193 10.189 10.187 10.187 10.188 10.190 10.194 HFeO2,aq HFeO2(+0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 -2.000 1 1.000 11 1.500 2 0.250 31 4.271 3.528 3.056 2.764 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.271 3.528 3.056 2.764 2.600 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.271 3.528 3.056 2.764 2.600 2.526 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.271 3.528 3.056 2.764 2.599 2.526 2.519 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.270 3.527 3.055 2.764 2.599 2.526 2.519 2.561 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.270 3.527 3.055 2.764 2.599 2.526 2.519 2.561 2.636 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.268 3.526 3.054 2.763 2.599 2.526 2.519 2.561 2.637 2.736 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.267 3.525 3.053 2.762 2.598 2.526 2.520 2.562 2.638 2.737 2.848 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.265 3.523 3.052 2.761 2.597 2.525 2.520 2.562 2.639 2.739 2.851 2.965 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.261 3.520 3.050 2.760 2.596 2.525 2.520 2.563 2.641 2.742 2.856 2.972 3.086 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.257 3.517 3.047 2.758 2.595 2.524 2.520 2.564 2.643 2.746 2.862 2.981 3.098 3.227 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.252 3.513 3.044 2.755 2.593 2.523 2.519 2.565 2.645 2.750 2.869 2.993 3.115 3.238 3.434 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.247 3.509 3.041 2.753 2.591 2.522 2.519 2.565 2.647 2.753 2.874 3.001 3.128 3.252 3.379 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.241 3.504 3.037 2.749 2.589 2.520 2.518 2.566 2.649 2.757 2.881 3.013 3.147 3.276 3.377 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.234 3.499 3.033 2.746 2.586 2.518 2.518 2.566 2.651 2.761 2.888 3.024 3.164 3.302 3.404 6.539 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.227 3.493 3.028 2.742 2.583 2.516 2.517 2.566 2.652 2.764 2.894 3.034 3.181 3.327 3.441 5.011 5.832 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.220 3.488 3.023 2.738 2.580 2.514 2.515 2.566 2.654 2.767 2.899 3.044 3.196 3.350 3.480 4.632 5.033 5.612 6.365 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.213 3.482 3.019 2.734 2.577 2.511 2.514 2.566 2.655 2.770 2.904 3.052 3.210 3.372 3.517 4.459 4.726 5.075 5.529 6.079 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.205 3.476 3.014 2.730 2.573 2.509 2.512 2.566 2.655 2.772 2.909 3.060 3.222 3.392 3.552 4.361 4.567 4.818 5.127 5.504 5.940 6.401 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.197 3.470 3.009 2.726 2.570 2.506 2.511 2.565 2.656 2.774 2.913 3.067 3.233 3.410 3.583 4.299 4.471 4.672 4.908 5.187 5.511 5.875 6.259 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.190 3.464 3.003 2.721 2.566 2.503 2.509 2.564 2.656 2.776 2.916 3.073 3.243 3.425 3.610 4.258 4.409 4.579 4.773 4.996 5.251 5.538 5.853 6.183 6.513 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.182 3.457 2.998 2.717 2.563 2.501 2.507 2.563 2.656 2.777 2.920 3.078 3.252 3.438 3.632 4.229 4.366 4.517 4.685 4.872 5.083 5.319 5.578 5.857 6.149 6.444 6.734 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.174 3.451 2.993 2.712 2.559 2.497 2.504 2.562 2.656 2.779 2.922 3.083 3.259 3.449 3.650 4.208 4.335 4.473 4.623 4.788 4.970 5.170 5.389 5.627 5.880 6.143 6.411 6.679 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.166 3.444 2.987 2.708 2.555 2.494 2.502 2.560 2.656 2.780 2.925 3.087 3.265 3.458 3.664 4.193 4.313 4.441 4.579 4.728 4.890 5.066 5.256 5.462 5.683 5.915 6.157 6.404 6.654 6.903 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.157 3.438 2.981 2.703 2.551 2.491 2.499 2.559 2.656 2.780 2.927 3.091 3.270 3.465 3.675 4.182 4.297 4.418 4.547 4.685 4.832 4.990 5.160 5.343 5.538 5.744 5.961 6.186 6.416 6.650 6.886 99999.999 99999.999 99999.999 99999.999 99999.999 4.149 3.431 2.975 2.698 2.546 2.487 2.497 2.557 2.655 2.781 2.929 3.094 3.275 3.471 3.682 4.175 4.285 4.401 4.523 4.652 4.789 4.934 5.089 5.254 5.429 5.615 5.810 6.014 6.225 6.442 6.663 6.888 7.115 99999.999 99999.999 99999.999 4.140 3.424 2.970 2.693 2.542 2.484 2.494 2.555 2.654 2.781 2.930 3.096 3.278 3.475 3.687 4.169 4.277 4.388 4.505 4.627 4.756 4.892 5.035 5.187 5.347 5.516 5.694 5.879 6.073 6.272 6.478 6.688 6.903 7.121 99999.999 99999.999 4.131 3.417 2.964 2.688 2.538 2.480 2.491 2.553 2.653 2.781 2.931 3.099 3.282 3.479 3.691 4.166 4.270 4.379 4.492 4.609 4.731 4.860 4.994 5.135 5.284 5.440 5.603 5.774 5.951 6.136 6.326 6.522 6.723 6.928 7.138 7.351 4.122 3.410 2.957 2.682 2.533 2.476 2.488 2.551 2.652 2.781 2.932 3.101 3.284 3.482 3.694 4.164 4.266 4.372 4.481 4.595 4.712 4.835 4.962 5.096 5.235 5.380 5.532 5.690 5.855 6.026 6.202 6.385 6.572 6.765 6.962 7.163 4.028 3.333 2.892 2.625 2.483 2.434 2.453 2.524 2.634 2.773 2.933 3.111 3.303 3.507 3.720 4.174 4.269 4.365 4.462 4.560 4.659 4.760 4.861 4.964 5.068 5.174 5.280 5.388 5.498 5.609 5.721 5.835 5.951 6.069 6.188 6.309 3.924 3.248 2.819 2.561 2.426 2.384 2.410 2.488 2.605 2.752 2.922 3.108 3.308 3.519 3.738 4.198 4.292 4.387 4.483 4.579 4.676 4.774 4.871 4.969 5.068 5.166 5.265 5.364 5.463 5.562 5.662 5.762 5.861 5.961 6.061 6.161 3.813 3.158 2.740 2.491 2.364 2.328 2.361 2.445 2.569 2.723 2.900 3.095 3.302 3.520 3.746 4.215 4.311 4.408 4.505 4.602 4.700 4.798 4.896 4.994 5.092 5.190 5.288 5.386 5.483 5.581 5.678 5.775 5.871 5.967 6.063 6.158 3.697 3.063 2.658 2.418 2.298 2.269 2.307 2.398 2.528 2.688 2.872 3.073 3.288 3.512 3.744 4.225 4.323 4.422 4.521 4.620 4.719 4.818 4.918 5.017 5.116 5.215 5.314 5.413 5.512 5.610 5.707 5.805 5.901 5.998 6.093 6.188 3.577 2.964 2.572 2.341 2.229 2.206 2.251 2.347 2.482 2.649 2.838 3.046 3.266 3.497 3.736 4.228 4.328 4.428 4.529 4.630 4.731 4.832 4.933 5.034 5.135 5.236 5.337 5.437 5.537 5.637 5.736 5.835 5.933 6.030 6.127 6.223 3.454 2.863 2.484 2.262 2.158 2.141 2.191 2.293 2.434 2.605 2.800 3.013 3.240 3.476 3.720 4.223 4.325 4.428 4.531 4.633 4.736 4.839 4.943 5.045 5.148 5.251 5.353 5.455 5.557 5.658 5.759 5.859 5.959 6.058 6.157 6.255 3.328 2.761 2.393 2.181 2.084 2.074 2.130 2.237 2.383 2.559 2.759 2.977 3.209 3.451 3.700 4.213 4.317 4.422 4.526 4.631 4.736 4.841 4.945 5.050 5.155 5.259 5.363 5.467 5.570 5.673 5.775 5.877 5.979 6.080 6.180 6.280 99999.999 2.656 2.301 2.098 2.009 2.005 2.067 2.179 2.330 2.511 2.716 2.938 3.175 3.421 3.676 4.198 4.304 4.410 4.517 4.623 4.730 4.836 4.943 5.049 5.155 5.261 5.367 5.472 5.577 5.682 5.786 5.889 5.992 6.095 6.197 6.298 H2,aq H2(0) P-T:All Charge = 0. Radius(Å) = 9.99 Alk. = 0.000 Ref: Shock07 4 -0.250 1 -0.250 4 1.000 2 0.250 6 12.454 11.527 10.727 10.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.454 11.527 10.727 10.029 9.414 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.454 11.528 10.727 10.029 9.414 8.869 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.454 11.528 10.727 10.029 9.414 8.869 8.382 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.454 11.528 10.728 10.030 9.415 8.869 8.382 7.944 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.454 11.529 10.729 10.030 9.416 8.870 8.382 7.944 7.549 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.455 11.530 10.730 10.031 9.417 8.871 8.383 7.945 7.549 7.191 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.455 11.531 10.731 10.033 9.418 8.872 8.385 7.946 7.550 7.192 6.866 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.456 11.533 10.733 10.035 9.420 8.874 8.386 7.948 7.551 7.192 6.866 6.571 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.458 11.536 10.736 10.038 9.423 8.877 8.388 7.949 7.553 7.193 6.867 6.571 6.302 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.459 11.539 10.740 10.042 9.426 8.880 8.391 7.952 7.555 7.195 6.868 6.570 6.300 6.054 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.462 11.543 10.745 10.047 9.431 8.884 8.395 7.955 7.558 7.197 6.869 6.570 6.299 6.052 5.822 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.463 11.547 10.749 10.051 9.435 8.888 8.398 7.958 7.560 7.198 6.870 6.570 6.298 6.050 5.825 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.466 11.552 10.755 10.056 9.440 8.892 8.402 7.961 7.563 7.201 6.871 6.570 6.296 6.046 5.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.469 11.557 10.760 10.062 9.445 8.897 8.407 7.965 7.566 7.203 6.872 6.570 6.295 6.043 5.818 5.136 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.472 11.562 10.766 10.068 9.451 8.902 8.411 7.969 7.569 7.205 6.874 6.571 6.294 6.040 5.812 5.269 5.126 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.475 11.568 10.772 10.073 9.456 8.907 8.415 7.973 7.572 7.208 6.875 6.571 6.293 6.037 5.807 5.302 5.195 5.076 4.950 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.479 11.573 10.777 10.079 9.461 8.912 8.420 7.977 7.575 7.210 6.877 6.572 6.292 6.035 5.801 5.317 5.221 5.121 5.015 4.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.482 11.578 10.783 10.085 9.467 8.917 8.424 7.980 7.578 7.213 6.879 6.573 6.292 6.033 5.797 5.324 5.234 5.142 5.047 4.950 4.852 4.759 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.485 11.584 10.789 10.090 9.472 8.922 8.429 7.984 7.582 7.215 6.881 6.574 6.292 6.032 5.793 5.328 5.240 5.153 5.064 4.974 4.883 4.793 4.706 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.489 11.589 10.795 10.096 9.478 8.927 8.433 7.988 7.585 7.218 6.883 6.575 6.292 6.030 5.790 5.330 5.244 5.159 5.074 4.988 4.902 4.816 4.731 4.649 4.571 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.493 11.595 10.801 10.102 9.483 8.932 8.438 7.992 7.588 7.221 6.885 6.576 6.292 6.030 5.787 5.331 5.246 5.162 5.079 4.996 4.914 4.831 4.750 4.669 4.590 4.515 4.444 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.497 11.600 10.807 10.108 9.488 8.937 8.442 7.996 7.592 7.224 6.887 6.578 6.293 6.029 5.785 5.332 5.248 5.165 5.083 5.001 4.921 4.841 4.762 4.683 4.606 4.530 4.457 4.388 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.501 11.606 10.813 10.113 9.494 8.942 8.447 8.000 7.595 7.226 6.889 6.579 6.293 6.029 5.783 5.332 5.248 5.166 5.085 5.005 4.925 4.847 4.770 4.693 4.617 4.543 4.470 4.399 4.331 4.265 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.505 11.611 10.819 10.119 9.499 8.947 8.451 8.004 7.599 7.229 6.891 6.581 6.294 6.029 5.782 5.332 5.248 5.166 5.086 5.006 4.928 4.851 4.775 4.700 4.625 4.552 4.480 4.409 4.341 4.274 4.209 99999.999 99999.999 99999.999 99999.999 99999.999 12.509 11.617 10.825 10.125 9.505 8.952 8.456 8.008 7.602 7.232 6.894 6.582 6.295 6.029 5.782 5.332 5.248 5.166 5.086 5.007 4.930 4.853 4.778 4.704 4.631 4.559 4.487 4.417 4.349 4.282 4.216 4.152 4.090 99999.999 99999.999 99999.999 12.513 11.623 10.831 10.131 9.510 8.957 8.460 8.012 7.606 7.235 6.896 6.584 6.296 6.030 5.782 5.332 5.248 5.166 5.086 5.008 4.931 4.855 4.780 4.707 4.634 4.563 4.493 4.424 4.356 4.289 4.223 4.159 4.096 4.035 99999.999 99999.999 12.517 11.629 10.837 10.137 9.516 8.962 8.465 8.016 7.609 7.238 6.898 6.586 6.298 6.031 5.782 5.331 5.248 5.166 5.086 5.008 4.931 4.855 4.781 4.708 4.637 4.566 4.497 4.428 4.361 4.294 4.229 4.165 4.102 4.040 3.980 3.920 12.522 11.635 10.843 10.143 9.521 8.967 8.470 8.020 7.613 7.241 6.901 6.588 6.299 6.031 5.782 5.331 5.247 5.166 5.086 5.007 4.931 4.856 4.782 4.709 4.638 4.568 4.499 4.431 4.364 4.298 4.234 4.170 4.107 4.046 3.985 3.925 12.570 11.696 10.905 10.203 9.578 9.019 8.517 8.062 7.650 7.273 6.927 6.609 6.315 6.042 5.788 5.329 5.244 5.161 5.080 5.001 4.924 4.849 4.775 4.703 4.632 4.563 4.496 4.429 4.364 4.301 4.238 4.177 4.116 4.057 3.999 3.942 12.626 11.761 10.970 10.265 9.635 9.072 8.565 8.106 7.689 7.307 6.957 6.634 6.335 6.058 5.799 5.332 5.245 5.161 5.078 4.998 4.919 4.842 4.767 4.694 4.622 4.552 4.484 4.416 4.351 4.286 4.223 4.161 4.101 4.041 3.983 3.926 12.687 11.829 11.037 10.328 9.695 9.127 8.615 8.151 7.729 7.343 6.988 6.661 6.358 6.077 5.814 5.339 5.251 5.165 5.081 4.999 4.919 4.841 4.765 4.690 4.617 4.545 4.475 4.407 4.340 4.274 4.210 4.147 4.085 4.025 3.966 3.908 12.753 11.900 11.106 10.393 9.755 9.182 8.666 8.198 7.772 7.381 7.022 6.691 6.384 6.099 5.832 5.350 5.260 5.173 5.088 5.005 4.923 4.844 4.766 4.690 4.616 4.543 4.472 4.402 4.334 4.267 4.202 4.138 4.075 4.013 3.953 3.893 12.823 11.973 11.177 10.460 9.817 9.239 8.718 8.246 7.815 7.421 7.058 6.723 6.412 6.123 5.853 5.364 5.273 5.185 5.098 5.014 4.931 4.850 4.771 4.694 4.619 4.545 4.472 4.402 4.332 4.264 4.198 4.132 4.069 4.006 3.944 3.884 12.897 12.049 11.249 10.527 9.880 9.297 8.772 8.295 7.860 7.461 7.095 6.756 6.442 6.149 5.876 5.381 5.289 5.199 5.111 5.026 4.942 4.860 4.780 4.702 4.625 4.550 4.477 4.405 4.334 4.265 4.198 4.131 4.066 4.003 3.940 3.879 12.974 12.127 11.323 10.596 9.943 9.356 8.826 8.345 7.906 7.503 7.133 6.790 6.473 6.177 5.901 5.399 5.306 5.215 5.127 5.040 4.955 4.872 4.791 4.712 4.634 4.558 4.484 4.411 4.339 4.269 4.201 4.133 4.068 4.003 3.939 3.877 99999.999 12.206 11.398 10.666 10.008 9.416 8.881 8.396 7.953 7.546 7.172 6.826 6.505 6.207 5.927 5.420 5.326 5.234 5.144 5.056 4.971 4.887 4.805 4.724 4.646 4.569 4.493 4.419 4.347 4.276 4.207 4.139 4.072 4.006 3.942 3.879 H2,aq H2(0) P-T:All Charge = 0. Radius(Å) = 9.99 Alk. = 0.000 Ref: Shock07 2 1.000 2 -0.500 31 50.478 46.107 42.337 39.057 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.478 46.107 42.337 39.057 36.176 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.479 46.107 42.337 39.058 36.177 33.623 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.480 46.108 42.338 39.059 36.178 33.624 31.342 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.481 46.110 42.340 39.060 36.179 33.625 31.343 29.288 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.484 46.112 42.342 39.063 36.182 33.628 31.346 29.290 27.426 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.487 46.116 42.346 39.066 36.185 33.631 31.349 29.294 27.430 25.727 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.492 46.122 42.352 39.072 36.190 33.636 31.354 29.298 27.434 25.732 24.165 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.499 46.130 42.360 39.079 36.198 33.643 31.360 29.305 27.441 25.738 24.172 22.719 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.509 46.140 42.370 39.089 36.207 33.652 31.369 29.313 27.449 25.747 24.181 22.729 21.365 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.521 46.154 42.383 39.102 36.220 33.664 31.381 29.325 27.460 25.758 24.193 22.743 21.383 20.075 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.537 46.171 42.401 39.119 36.236 33.680 31.396 29.339 27.474 25.772 24.208 22.760 21.404 20.112 18.789 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.550 46.185 42.414 39.132 36.248 33.692 31.407 29.350 27.485 25.783 24.219 22.772 21.420 20.135 18.860 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.568 46.204 42.434 39.151 36.266 33.709 31.424 29.366 27.501 25.799 24.236 22.790 21.441 20.165 18.925 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.586 46.224 42.453 39.170 36.284 33.726 31.440 29.382 27.516 25.814 24.251 22.807 21.460 20.192 18.972 15.805 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.604 46.243 42.472 39.188 36.302 33.743 31.456 29.398 27.532 25.829 24.267 22.823 21.479 20.216 19.009 16.474 15.751 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.622 46.263 42.492 39.207 36.319 33.760 31.472 29.413 27.547 25.844 24.282 22.839 21.497 20.238 19.041 16.664 16.123 15.507 14.791 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.641 46.282 42.511 39.225 36.337 33.777 31.488 29.429 27.562 25.859 24.297 22.855 21.514 20.258 19.068 16.768 16.286 15.775 15.219 14.610 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.659 46.302 42.530 39.243 36.354 33.793 31.504 29.444 27.577 25.874 24.312 22.870 21.531 20.278 19.093 16.840 16.385 15.919 15.432 14.917 14.372 13.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.678 46.321 42.549 39.262 36.372 33.810 31.520 29.459 27.592 25.889 24.326 22.885 21.547 20.296 19.116 16.894 16.456 16.013 15.561 15.096 14.612 14.110 13.591 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.696 46.341 42.568 39.280 36.389 33.826 31.536 29.474 27.606 25.903 24.341 22.900 21.563 20.314 19.138 16.938 16.511 16.083 15.651 15.213 14.766 14.308 13.838 13.359 12.875 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.715 46.360 42.587 39.298 36.407 33.843 31.552 29.490 27.621 25.917 24.355 22.914 21.578 20.331 19.158 16.976 16.556 16.138 15.719 15.299 14.875 14.444 14.007 13.563 13.114 12.663 12.214 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.734 46.380 42.606 39.316 36.424 33.859 31.567 29.505 27.636 25.932 24.369 22.929 21.593 20.347 19.177 17.009 16.594 16.183 15.774 15.366 14.956 14.545 14.130 13.711 13.288 12.863 12.438 12.016 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.752 46.399 42.625 39.334 36.441 33.876 31.583 29.520 27.650 25.946 24.383 22.943 21.608 20.363 19.195 17.038 16.627 16.222 15.819 15.420 15.021 14.623 14.223 13.822 13.419 13.015 12.610 12.207 11.807 11.413 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.771 46.419 42.644 39.352 36.458 33.892 31.599 29.534 27.664 25.960 24.397 22.957 21.622 20.378 19.212 17.064 16.657 16.256 15.859 15.465 15.075 14.686 14.297 13.910 13.521 13.133 12.745 12.358 11.973 11.593 11.217 99999.999 99999.999 99999.999 99999.999 99999.999 50.790 46.438 42.663 39.370 36.475 33.908 31.614 29.549 27.679 25.974 24.411 22.971 21.636 20.393 19.229 17.088 16.684 16.286 15.893 15.505 15.120 14.738 14.359 13.981 13.604 13.228 12.853 12.479 12.107 11.739 11.374 11.015 10.662 99999.999 99999.999 99999.999 50.809 46.458 42.681 39.388 36.492 33.924 31.630 29.564 27.693 25.987 24.424 22.984 21.650 20.408 19.245 17.111 16.709 16.313 15.924 15.539 15.159 14.783 14.410 14.040 13.672 13.305 12.940 12.578 12.217 11.859 11.505 11.155 10.810 10.471 99999.999 99999.999 50.828 46.477 42.700 39.406 36.509 33.941 31.645 29.579 27.707 26.001 24.438 22.998 21.664 20.422 19.261 17.132 16.732 16.338 15.952 15.570 15.194 14.823 14.455 14.090 13.729 13.370 13.014 12.660 12.308 11.960 11.614 11.273 10.936 10.604 10.277 9.957 50.847 46.496 42.719 39.424 36.526 33.957 31.660 29.593 27.721 26.015 24.451 23.011 21.677 20.436 19.276 17.152 16.753 16.362 15.977 15.599 15.226 14.858 14.494 14.134 13.778 13.426 13.076 12.729 12.385 12.044 11.707 11.373 11.043 10.717 10.397 10.082 51.039 46.690 42.905 39.601 36.693 34.115 31.810 29.737 27.858 26.148 24.581 23.138 21.805 20.566 19.411 17.311 16.921 16.538 16.165 15.799 15.440 15.088 14.744 14.405 14.073 13.746 13.425 13.109 12.799 12.493 12.192 11.895 11.603 11.315 11.032 10.753 51.236 46.884 43.090 39.775 36.857 34.270 31.957 29.876 27.991 26.275 24.704 23.258 21.923 20.683 19.529 17.436 17.048 16.669 16.298 15.936 15.582 15.235 14.895 14.563 14.237 13.918 13.604 13.297 12.996 12.699 12.409 12.123 11.842 11.566 11.295 11.028 51.436 47.078 43.273 39.947 37.019 34.422 32.100 30.012 28.121 26.399 24.823 23.373 22.035 20.793 19.637 17.545 17.158 16.780 16.410 16.050 15.697 15.352 15.015 14.684 14.361 14.044 13.734 13.430 13.132 12.840 12.553 12.271 11.995 11.724 11.457 11.195 51.639 47.272 43.455 40.117 37.179 34.572 32.242 30.146 28.248 26.520 24.939 23.485 22.143 20.898 19.740 17.647 17.259 16.881 16.512 16.151 15.799 15.455 15.118 14.789 14.466 14.151 13.842 13.539 13.243 12.952 12.667 12.387 12.113 11.843 11.579 11.319 51.844 47.466 43.636 40.287 37.337 34.720 32.382 30.278 28.373 26.639 25.053 23.594 22.248 21.000 19.840 17.742 17.354 16.976 16.606 16.246 15.893 15.549 15.212 14.883 14.561 14.246 13.937 13.635 13.339 13.049 12.765 12.486 12.212 11.944 11.680 11.422 52.052 47.661 43.817 40.455 37.494 34.868 32.520 30.409 28.497 26.757 25.165 23.702 22.352 21.100 19.937 17.834 17.446 17.067 16.697 16.335 15.983 15.638 15.301 14.972 14.649 14.334 14.026 13.723 13.427 13.137 12.853 12.574 12.301 12.033 11.770 11.512 52.261 47.856 43.998 40.623 37.651 35.014 32.658 30.538 28.620 26.874 25.276 23.808 22.454 21.199 20.032 17.924 17.535 17.155 16.784 16.422 16.069 15.723 15.386 15.056 14.733 14.418 14.109 13.806 13.510 13.220 12.936 12.657 12.383 12.115 11.852 11.594 99999.999 48.052 44.179 40.791 37.807 35.160 32.795 30.667 28.742 26.989 25.386 23.914 22.554 21.295 20.125 18.012 17.621 17.241 16.869 16.506 16.152 15.806 15.468 15.138 14.814 14.498 14.189 13.886 13.589 13.299 13.014 12.735 12.461 12.193 11.929 11.671 Hg,aq Hg(0) P-T:All Charge = 0. Radius(Å) = 9.99 Alk. = 0.000 Ref: Shock07 5 -2.250 1 1.000 20 0.250 6 1.000 2 -0.250 4 -15.519 -13.926 -12.679 -11.677 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.519 -13.926 -12.679 -11.677 -10.861 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.519 -13.926 -12.679 -11.677 -10.861 -10.191 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.518 -13.925 -12.678 -11.676 -10.860 -10.190 -9.637 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.517 -13.924 -12.676 -11.675 -10.859 -10.189 -9.636 -9.180 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.515 -13.921 -12.674 -11.673 -10.857 -10.186 -9.634 -9.178 -8.802 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.512 -13.918 -12.671 -11.669 -10.854 -10.183 -9.631 -9.175 -8.799 -8.492 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.508 -13.914 -12.666 -11.665 -10.849 -10.179 -9.627 -9.170 -8.795 -8.488 -8.242 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.502 -13.907 -12.660 -11.659 -10.843 -10.173 -9.621 -9.164 -8.788 -8.481 -8.235 -8.043 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.494 -13.899 -12.652 -11.650 -10.835 -10.165 -9.613 -9.157 -8.780 -8.473 -8.225 -8.033 -7.887 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.484 -13.888 -12.641 -11.640 -10.825 -10.155 -9.603 -9.146 -8.770 -8.462 -8.214 -8.019 -7.872 -7.756 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.471 -13.874 -12.627 -11.626 -10.811 -10.142 -9.590 -9.133 -8.757 -8.448 -8.199 -8.002 -7.853 -7.741 -7.612 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.461 -13.863 -12.616 -11.615 -10.801 -10.132 -9.580 -9.123 -8.747 -8.438 -8.187 -7.989 -7.837 -7.726 -7.642 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.447 -13.848 -12.600 -11.600 -10.786 -10.117 -9.565 -9.109 -8.732 -8.423 -8.171 -7.971 -7.816 -7.701 -7.636 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.434 -13.833 -12.585 -11.586 -10.772 -10.103 -9.552 -9.095 -8.718 -8.408 -8.155 -7.953 -7.794 -7.676 -7.611 -5.730 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.420 -13.818 -12.570 -11.571 -10.758 -10.089 -9.538 -9.081 -8.704 -8.394 -8.140 -7.935 -7.774 -7.651 -7.580 -6.677 -6.189 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.407 -13.803 -12.556 -11.556 -10.743 -10.076 -9.524 -9.068 -8.691 -8.380 -8.125 -7.919 -7.754 -7.627 -7.547 -6.908 -6.683 -6.349 -5.912 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.394 -13.788 -12.541 -11.542 -10.730 -10.062 -9.511 -9.055 -8.677 -8.366 -8.110 -7.903 -7.735 -7.604 -7.515 -7.010 -6.869 -6.680 -6.428 -6.118 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.381 -13.774 -12.527 -11.528 -10.716 -10.049 -9.498 -9.042 -8.664 -8.352 -8.096 -7.887 -7.717 -7.582 -7.485 -7.064 -6.962 -6.834 -6.673 -6.472 -6.237 -5.990 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.368 -13.760 -12.512 -11.514 -10.702 -10.036 -9.485 -9.029 -8.651 -8.339 -8.082 -7.872 -7.700 -7.561 -7.457 -7.095 -7.015 -6.920 -6.805 -6.665 -6.499 -6.312 -6.115 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.356 -13.746 -12.498 -11.500 -10.689 -10.022 -9.472 -9.016 -8.638 -8.326 -8.069 -7.857 -7.684 -7.542 -7.431 -7.114 -7.047 -6.971 -6.882 -6.778 -6.657 -6.517 -6.363 -6.202 -6.043 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.343 -13.732 -12.484 -11.487 -10.676 -10.010 -9.459 -9.003 -8.626 -8.313 -8.055 -7.843 -7.668 -7.525 -7.409 -7.124 -7.067 -7.003 -6.931 -6.849 -6.756 -6.649 -6.530 -6.400 -6.264 -6.129 -6.000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.331 -13.719 -12.471 -11.473 -10.663 -9.997 -9.447 -8.991 -8.613 -8.300 -8.042 -7.829 -7.654 -7.508 -7.388 -7.129 -7.078 -7.023 -6.963 -6.896 -6.821 -6.736 -6.642 -6.538 -6.427 -6.312 -6.195 -6.081 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.319 -13.705 -12.457 -11.460 -10.650 -9.984 -9.434 -8.979 -8.601 -8.288 -8.030 -7.816 -7.640 -7.493 -7.371 -7.131 -7.084 -7.035 -6.983 -6.927 -6.864 -6.795 -6.719 -6.636 -6.545 -6.449 -6.348 -6.247 -6.146 -6.047 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.307 -13.692 -12.444 -11.447 -10.637 -9.972 -9.422 -8.966 -8.589 -8.276 -8.017 -7.803 -7.626 -7.479 -7.355 -7.130 -7.087 -7.042 -6.996 -6.947 -6.894 -6.836 -6.774 -6.705 -6.630 -6.550 -6.466 -6.378 -6.289 -6.199 -6.109 99999.999 99999.999 99999.999 99999.999 99999.999 -15.295 -13.679 -12.430 -11.434 -10.624 -9.959 -9.410 -8.955 -8.577 -8.264 -8.005 -7.791 -7.614 -7.466 -7.341 -7.126 -7.086 -7.046 -7.004 -6.960 -6.914 -6.865 -6.812 -6.755 -6.693 -6.626 -6.555 -6.480 -6.403 -6.324 -6.243 -6.162 -6.081 99999.999 99999.999 99999.999 -15.284 -13.665 -12.417 -11.421 -10.612 -9.947 -9.398 -8.943 -8.565 -8.252 -7.993 -7.779 -7.601 -7.454 -7.329 -7.122 -7.084 -7.046 -7.008 -6.969 -6.928 -6.885 -6.839 -6.790 -6.738 -6.682 -6.622 -6.559 -6.493 -6.424 -6.353 -6.281 -6.208 -6.134 99999.999 99999.999 -15.272 -13.653 -12.404 -11.408 -10.599 -9.935 -9.386 -8.931 -8.553 -8.240 -7.981 -7.767 -7.589 -7.442 -7.318 -7.116 -7.080 -7.044 -7.009 -6.973 -6.936 -6.898 -6.859 -6.816 -6.772 -6.724 -6.674 -6.620 -6.564 -6.505 -6.443 -6.380 -6.315 -6.248 -6.181 -6.112 -15.261 -13.640 -12.391 -11.395 -10.587 -9.923 -9.374 -8.919 -8.542 -8.229 -7.969 -7.755 -7.578 -7.430 -7.307 -7.109 -7.075 -7.041 -7.008 -6.975 -6.941 -6.907 -6.872 -6.835 -6.797 -6.756 -6.713 -6.667 -6.619 -6.568 -6.515 -6.460 -6.404 -6.345 -6.285 -6.223 -15.155 -13.518 -12.268 -11.275 -10.470 -9.809 -9.263 -8.810 -8.433 -8.120 -7.860 -7.645 -7.467 -7.321 -7.201 -7.022 -6.994 -6.968 -6.945 -6.923 -6.903 -6.884 -6.867 -6.851 -6.836 -6.822 -6.809 -6.796 -6.785 -6.773 -6.762 -6.751 -6.740 -6.729 -6.718 -6.707 -15.060 -13.407 -12.155 -11.163 -10.361 -9.704 -9.161 -8.710 -8.335 -8.022 -7.762 -7.546 -7.368 -7.222 -7.102 -6.928 -6.901 -6.878 -6.856 -6.837 -6.820 -6.804 -6.791 -6.779 -6.769 -6.761 -6.754 -6.749 -6.744 -6.741 -6.740 -6.739 -6.739 -6.741 -6.743 -6.746 -14.973 -13.303 -12.048 -11.059 -10.260 -9.606 -9.065 -8.617 -8.243 -7.932 -7.672 -7.456 -7.278 -7.131 -7.012 -6.838 -6.812 -6.788 -6.768 -6.749 -6.732 -6.718 -6.706 -6.695 -6.687 -6.680 -6.675 -6.671 -6.669 -6.668 -6.669 -6.671 -6.675 -6.680 -6.686 -6.693 -14.892 -13.205 -11.948 -10.959 -10.163 -9.512 -8.975 -8.529 -8.158 -7.847 -7.589 -7.373 -7.195 -7.048 -6.928 -6.754 -6.728 -6.705 -6.684 -6.665 -6.649 -6.635 -6.623 -6.613 -6.604 -6.598 -6.593 -6.590 -6.588 -6.588 -6.590 -6.593 -6.597 -6.602 -6.609 -6.618 -14.816 -13.112 -11.852 -10.865 -10.071 -9.423 -8.889 -8.446 -8.076 -7.768 -7.510 -7.295 -7.117 -6.970 -6.850 -6.676 -6.650 -6.626 -6.605 -6.587 -6.570 -6.556 -6.544 -6.534 -6.526 -6.519 -6.514 -6.511 -6.510 -6.510 -6.511 -6.514 -6.518 -6.524 -6.531 -6.539 -14.745 -13.023 -11.760 -10.774 -9.983 -9.338 -8.806 -8.366 -7.998 -7.692 -7.436 -7.222 -7.044 -6.897 -6.777 -6.602 -6.576 -6.553 -6.532 -6.513 -6.497 -6.482 -6.470 -6.460 -6.451 -6.445 -6.440 -6.437 -6.435 -6.435 -6.436 -6.439 -6.443 -6.448 -6.455 -6.463 -14.677 -12.938 -11.671 -10.686 -9.897 -9.255 -8.727 -8.288 -7.924 -7.619 -7.364 -7.152 -6.975 -6.828 -6.708 -6.533 -6.507 -6.484 -6.463 -6.444 -6.427 -6.413 -6.401 -6.390 -6.382 -6.375 -6.370 -6.366 -6.364 -6.364 -6.365 -6.368 -6.372 -6.377 -6.383 -6.391 99999.999 -12.854 -11.584 -10.600 -9.814 -9.174 -8.649 -8.214 -7.851 -7.548 -7.295 -7.084 -6.908 -6.762 -6.643 -6.468 -6.442 -6.418 -6.397 -6.378 -6.362 -6.347 -6.335 -6.325 -6.316 -6.309 -6.304 -6.300 -6.298 -6.298 -6.299 -6.301 -6.305 -6.310 -6.316 -6.324 Hg,aq Hg(0) P-T:All Charge = 0. Radius(Å) = 9.99 Alk. = 0.000 Ref: Shock07 4 -2.000 1 1.000 20 -0.500 31 1.000 2 22.505 20.653 18.931 17.351 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.505 20.653 18.931 17.351 15.901 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.506 20.654 18.932 17.352 15.902 14.564 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.508 20.655 18.933 17.353 15.903 14.565 13.323 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.510 20.658 18.936 17.356 15.906 14.568 13.325 12.164 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.514 20.662 18.940 17.360 15.909 14.571 13.329 12.168 11.075 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.520 20.668 18.946 17.366 15.915 14.577 13.335 12.174 11.081 10.044 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.529 20.677 18.954 17.374 15.923 14.585 13.343 12.182 11.089 10.053 9.058 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.541 20.689 18.966 17.386 15.934 14.596 13.354 12.193 11.101 10.065 9.071 8.105 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.557 20.706 18.982 17.401 15.949 14.610 13.368 12.207 11.116 10.081 9.089 8.126 7.176 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.578 20.727 19.003 17.421 15.969 14.629 13.387 12.226 11.135 10.101 9.112 8.153 7.210 6.265 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.604 20.754 19.029 17.446 15.993 14.654 13.411 12.251 11.160 10.127 9.141 8.187 7.253 6.319 5.355 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.625 20.775 19.050 17.466 16.013 14.672 13.429 12.269 11.179 10.147 9.163 8.213 7.285 6.360 5.393 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.654 20.805 19.079 17.494 16.040 14.699 13.456 12.296 11.206 10.176 9.194 8.249 7.329 6.417 5.466 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.683 20.834 19.108 17.522 16.067 14.725 13.482 12.321 11.232 10.203 9.224 8.283 7.371 6.472 5.543 4.939 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.712 20.863 19.136 17.550 16.093 14.751 13.507 12.347 11.259 10.231 9.253 8.317 7.411 6.524 5.617 4.528 4.436 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.740 20.892 19.164 17.577 16.120 14.777 13.533 12.372 11.284 10.257 9.282 8.349 7.450 6.573 5.687 4.453 4.245 4.082 3.930 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.768 20.921 19.192 17.604 16.146 14.802 13.558 12.397 11.309 10.283 9.310 8.380 7.487 6.619 5.752 4.442 4.196 3.974 3.777 3.586 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.796 20.950 19.220 17.631 16.172 14.828 13.582 12.422 11.334 10.309 9.337 8.410 7.522 6.662 5.812 4.452 4.190 3.943 3.712 3.496 3.283 3.051 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.824 20.978 19.247 17.657 16.197 14.852 13.607 12.446 11.359 10.334 9.363 8.439 7.555 6.703 5.867 4.471 4.201 3.941 3.693 3.456 3.229 3.005 2.771 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.852 21.006 19.275 17.683 16.223 14.877 13.631 12.470 11.383 10.359 9.390 8.468 7.587 6.741 5.917 4.494 4.220 3.953 3.695 3.447 3.207 2.974 2.743 2.508 2.261 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.879 21.034 19.302 17.709 16.248 14.902 13.655 12.494 11.407 10.384 9.415 8.495 7.617 6.776 5.962 4.520 4.243 3.972 3.709 3.453 3.205 2.964 2.728 2.494 2.259 2.018 1.770 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.906 21.061 19.328 17.735 16.273 14.926 13.679 12.518 11.431 10.408 9.440 8.522 7.646 6.810 6.004 4.547 4.268 3.995 3.729 3.468 3.215 2.967 2.726 2.489 2.255 2.021 1.786 1.547 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.933 21.088 19.355 17.761 16.297 14.950 13.702 12.541 11.454 10.431 9.465 8.547 7.674 6.841 6.041 4.575 4.295 4.020 3.752 3.489 3.231 2.980 2.734 2.493 2.257 2.024 1.792 1.561 1.331 1.101 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.959 21.115 19.381 17.786 16.322 14.973 13.725 12.564 11.477 10.455 9.489 8.573 7.701 6.870 6.075 4.602 4.322 4.047 3.777 3.512 3.252 2.998 2.749 2.505 2.266 2.031 1.799 1.571 1.344 1.120 0.899 99999.999 99999.999 99999.999 99999.999 99999.999 22.986 21.142 19.408 17.811 16.346 14.997 13.748 12.587 11.500 10.478 9.512 8.597 7.727 6.898 6.106 4.630 4.349 4.074 3.803 3.537 3.276 3.020 2.768 2.522 2.280 2.043 1.810 1.581 1.356 1.133 0.915 0.700 0.491 99999.999 99999.999 99999.999 23.012 21.169 19.434 17.836 16.370 15.020 13.771 12.609 11.522 10.501 9.536 8.621 7.752 6.925 6.134 4.657 4.377 4.101 3.830 3.563 3.301 3.044 2.791 2.543 2.299 2.060 1.825 1.595 1.368 1.146 0.928 0.715 0.506 0.303 99999.999 99999.999 23.038 21.196 19.459 17.861 16.394 15.043 13.794 12.632 11.545 10.523 9.559 8.645 7.777 6.950 6.161 4.685 4.404 4.128 3.857 3.590 3.327 3.069 2.815 2.566 2.320 2.080 1.844 1.612 1.384 1.161 0.942 0.728 0.519 0.315 0.117 -0.075 23.064 21.222 19.485 17.886 16.418 15.066 13.816 12.654 11.567 10.545 9.581 8.668 7.801 6.975 6.187 4.711 4.431 4.155 3.883 3.616 3.353 3.095 2.840 2.590 2.344 2.102 1.864 1.631 1.402 1.178 0.958 0.742 0.532 0.327 0.127 -0.066 23.314 21.476 19.732 18.123 16.646 15.287 14.031 12.864 11.776 10.755 9.793 8.884 8.022 7.203 6.421 4.960 4.682 4.409 4.140 3.874 3.613 3.356 3.102 2.851 2.604 2.361 2.121 1.884 1.650 1.419 1.192 0.968 0.747 0.530 0.315 0.105 23.550 21.717 19.965 18.347 16.861 15.493 14.231 13.060 11.968 10.946 9.985 9.078 8.219 7.403 6.627 5.176 4.901 4.630 4.364 4.101 3.843 3.588 3.337 3.090 2.845 2.605 2.367 2.132 1.901 1.672 1.446 1.223 1.002 0.784 0.569 0.356 23.776 21.946 20.187 18.560 17.065 15.689 14.420 13.243 12.148 11.124 10.162 9.256 8.398 7.585 6.811 5.369 5.095 4.826 4.562 4.301 4.045 3.793 3.544 3.299 3.057 2.819 2.584 2.352 2.123 1.897 1.674 1.453 1.235 1.019 0.806 0.595 23.994 22.167 20.401 18.765 17.260 15.877 14.601 13.418 12.319 11.291 10.328 9.421 8.564 7.752 6.980 5.543 5.271 5.003 4.740 4.481 4.227 3.976 3.729 3.486 3.246 3.010 2.777 2.547 2.320 2.096 1.875 1.657 1.441 1.228 1.017 0.808 24.204 22.381 20.608 18.962 17.449 16.058 14.774 13.586 12.482 11.451 10.485 9.577 8.719 7.907 7.137 5.703 5.432 5.165 4.903 4.645 4.392 4.142 3.897 3.655 3.417 3.182 2.951 2.722 2.497 2.275 2.056 1.839 1.625 1.414 1.205 0.999 24.410 22.589 20.808 19.154 17.632 16.233 14.942 13.748 12.639 11.604 10.635 9.725 8.866 8.054 7.283 5.852 5.581 5.315 5.054 4.797 4.544 4.296 4.051 3.810 3.573 3.339 3.109 2.882 2.658 2.437 2.220 2.004 1.792 1.582 1.375 1.170 24.611 22.792 21.005 19.341 17.811 16.403 15.105 13.905 12.790 11.751 10.779 9.866 9.006 8.193 7.422 5.991 5.721 5.456 5.195 4.938 4.686 4.438 4.194 3.954 3.718 3.485 3.255 3.029 2.806 2.586 2.370 2.156 1.944 1.736 1.529 1.326 99999.999 22.992 21.197 19.524 17.985 16.569 15.265 14.058 12.938 11.895 10.919 10.003 9.141 8.326 7.555 6.124 5.854 5.588 5.328 5.071 4.820 4.572 4.328 4.089 3.853 3.621 3.392 3.166 2.944 2.725 2.508 2.295 2.085 1.877 1.671 1.469 Hg2+2 Hg2(+2) P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 5 -2.250 1 -0.250 4 1.000 2 2.000 20 0.250 6 -24.134 -22.371 -20.854 -19.532 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -24.134 -22.371 -20.854 -19.532 -18.369 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -24.134 -22.370 -20.853 -19.531 -18.368 -17.337 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -24.084 -22.321 -20.806 -19.485 -18.324 -17.294 -16.375 -15.552 -14.811 -14.144 -13.544 -13.006 -12.523 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -24.065 -22.301 -20.786 -19.467 -18.306 -17.277 -16.358 -15.535 -14.794 -14.126 -13.525 -12.986 -12.501 -12.045 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -24.039 -22.276 -20.761 -19.443 -18.283 -17.254 -16.336 -15.513 -14.772 -14.104 -13.501 -12.959 -12.472 -12.025 -11.527 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -24.020 -22.256 -20.743 -19.425 -18.265 -17.237 -16.320 -15.497 -14.756 -14.087 -13.483 -12.939 -12.449 -12.004 -11.580 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -23.993 -22.228 -20.716 -19.399 -18.241 -17.213 -16.296 -15.473 -14.732 -14.063 -13.458 -12.911 -12.417 -11.970 -11.578 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -23.966 -22.201 -20.689 -19.374 -18.216 -17.189 -16.273 -15.450 -14.709 -14.039 -13.433 -12.883 -12.385 -11.934 -11.546 -8.056 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -23.940 -22.175 -20.663 -19.349 -18.192 -17.166 -16.250 -15.427 -14.686 -14.016 -13.408 -12.856 -12.354 -11.897 -11.504 -9.553 -8.668 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -23.915 -22.148 -20.638 -19.324 -18.168 -17.143 -16.227 -15.405 -14.664 -13.993 -13.384 -12.830 -12.324 -11.862 -11.458 -9.918 -9.449 -8.807 -7.988 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -23.890 -22.123 -20.613 -19.300 -18.145 -17.120 -16.205 -15.383 -14.642 -13.971 -13.361 -12.805 -12.296 -11.828 -11.413 -10.078 -9.743 -9.330 -8.816 -8.204 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -23.865 -22.097 -20.588 -19.276 -18.122 -17.098 -16.183 -15.361 -14.620 -13.949 -13.338 -12.781 -12.268 -11.795 -11.369 -10.165 -9.891 -9.576 -9.206 -8.771 -8.278 -7.758 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -23.841 -22.072 -20.563 -19.252 -18.099 -17.076 -16.161 -15.340 -14.599 -13.927 -13.316 -12.757 -12.242 -11.765 -11.329 -10.216 -9.976 -9.712 -9.415 -9.080 -8.700 -8.283 -7.847 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -23.817 -22.048 -20.539 -19.229 -18.077 -17.054 -16.140 -15.319 -14.578 -13.906 -13.294 -12.734 -12.217 -11.736 -11.292 -10.246 -10.027 -9.794 -9.540 -9.261 -8.953 -8.614 -8.251 -7.872 -7.494 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -23.794 -22.024 -20.516 -19.206 -18.054 -17.033 -16.119 -15.299 -14.558 -13.886 -13.273 -12.712 -12.193 -11.709 -11.259 -10.264 -10.059 -9.846 -9.618 -9.375 -9.111 -8.826 -8.520 -8.195 -7.859 -7.522 -7.190 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -23.772 -22.000 -20.492 -19.183 -18.033 -17.011 -16.099 -15.278 -14.537 -13.865 -13.252 -12.690 -12.170 -11.685 -11.229 -10.273 -10.079 -9.879 -9.670 -9.449 -9.216 -8.967 -8.701 -8.420 -8.125 -7.822 -7.515 -7.211 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -23.749 -21.976 -20.469 -19.161 -18.011 -16.991 -16.078 -15.258 -14.517 -13.845 -13.232 -12.669 -12.148 -11.662 -11.203 -10.276 -10.090 -9.900 -9.703 -9.500 -9.286 -9.062 -8.826 -8.577 -8.316 -8.046 -7.768 -7.487 -7.205 -6.927 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -23.728 -21.953 -20.447 -19.139 -17.990 -16.970 -16.058 -15.238 -14.498 -13.826 -13.212 -12.649 -12.128 -11.640 -11.179 -10.275 -10.095 -9.912 -9.725 -9.533 -9.335 -9.129 -8.914 -8.689 -8.455 -8.211 -7.960 -7.703 -7.442 -7.180 -6.918 99999.999 99999.999 99999.999 99999.999 99999.999 -23.706 -21.931 -20.424 -19.117 -17.969 -16.950 -16.038 -15.219 -14.478 -13.806 -13.193 -12.629 -12.108 -11.620 -11.159 -10.271 -10.095 -9.918 -9.739 -9.556 -9.369 -9.176 -8.977 -8.770 -8.556 -8.334 -8.105 -7.870 -7.630 -7.386 -7.140 -6.894 -6.647 99999.999 99999.999 99999.999 -23.685 -21.908 -20.402 -19.096 -17.948 -16.930 -16.019 -15.200 -14.459 -13.787 -13.173 -12.610 -12.088 -11.601 -11.140 -10.264 -10.092 -9.920 -9.746 -9.570 -9.391 -9.209 -9.022 -8.829 -8.631 -8.426 -8.215 -7.999 -7.777 -7.551 -7.322 -7.091 -6.857 -6.623 99999.999 99999.999 -23.664 -21.886 -20.380 -19.075 -17.928 -16.910 -16.000 -15.181 -14.440 -13.768 -13.155 -12.591 -12.069 -11.582 -11.123 -10.256 -10.087 -9.918 -9.749 -9.579 -9.406 -9.232 -9.054 -8.872 -8.686 -8.495 -8.299 -8.098 -7.893 -7.683 -7.469 -7.253 -7.034 -6.813 -6.590 -6.365 -23.644 -21.865 -20.359 -19.054 -17.908 -16.890 -15.980 -15.162 -14.422 -13.750 -13.136 -12.572 -12.051 -11.565 -11.106 -10.246 -10.080 -9.914 -9.748 -9.582 -9.415 -9.247 -9.077 -8.903 -8.727 -8.547 -8.363 -8.175 -7.983 -7.787 -7.588 -7.385 -7.180 -6.972 -6.762 -6.549 -23.460 -21.663 -20.157 -18.858 -17.718 -16.706 -15.801 -14.986 -14.248 -13.577 -12.963 -12.399 -11.878 -11.395 -10.943 -10.115 -9.960 -9.807 -9.657 -9.510 -9.365 -9.222 -9.081 -8.941 -8.804 -8.667 -8.532 -8.398 -8.265 -8.132 -8.000 -7.868 -7.737 -7.606 -7.474 -7.343 -23.303 -21.484 -19.977 -18.681 -17.546 -16.540 -15.640 -14.828 -14.093 -13.422 -12.809 -12.245 -11.724 -11.241 -10.790 -9.971 -9.819 -9.670 -9.524 -9.381 -9.241 -9.104 -8.969 -8.837 -8.708 -8.581 -8.456 -8.334 -8.213 -8.095 -7.978 -7.864 -7.751 -7.640 -7.530 -7.422 -23.168 -21.325 -19.813 -18.520 -17.389 -16.388 -15.492 -14.684 -13.951 -13.282 -12.669 -12.106 -11.585 -11.102 -10.651 -9.834 -9.683 -9.535 -9.390 -9.248 -9.110 -8.975 -8.842 -8.713 -8.586 -8.462 -8.340 -8.221 -8.104 -7.990 -7.878 -7.768 -7.660 -7.555 -7.451 -7.350 -23.051 -21.180 -19.663 -18.371 -17.244 -16.246 -15.354 -14.550 -13.820 -13.153 -12.542 -11.978 -11.457 -10.974 -10.524 -9.707 -9.556 -9.408 -9.263 -9.122 -8.984 -8.849 -8.718 -8.589 -8.463 -8.339 -8.218 -8.100 -7.985 -7.872 -7.761 -7.652 -7.546 -7.443 -7.341 -7.242 -22.948 -21.047 -19.523 -18.232 -17.107 -16.114 -15.226 -14.425 -13.697 -13.033 -12.423 -11.860 -11.340 -10.857 -10.406 -9.589 -9.438 -9.290 -9.145 -9.004 -8.866 -8.732 -8.600 -8.471 -8.345 -8.222 -8.101 -7.983 -7.868 -7.755 -7.644 -7.536 -7.431 -7.327 -7.226 -7.127 -22.857 -20.924 -19.393 -18.101 -16.979 -15.989 -15.104 -14.307 -13.582 -12.920 -12.312 -11.750 -11.231 -10.747 -10.297 -9.479 -9.328 -9.180 -9.035 -8.894 -8.756 -8.621 -8.489 -8.361 -8.234 -8.111 -7.990 -7.872 -7.757 -7.644 -7.533 -7.425 -7.319 -7.215 -7.114 -7.015 -22.776 -20.810 -19.270 -17.977 -16.858 -15.870 -14.989 -14.195 -13.473 -12.813 -12.207 -11.647 -11.128 -10.645 -10.194 -9.377 -9.225 -9.077 -8.932 -8.791 -8.653 -8.518 -8.386 -8.257 -8.131 -8.007 -7.887 -7.768 -7.653 -7.539 -7.429 -7.320 -7.214 -7.110 -7.008 -6.909 99999.999 -20.702 -19.154 -17.860 -16.742 -15.757 -14.879 -14.087 -13.369 -12.711 -12.107 -11.548 -11.030 -10.548 -10.098 -9.281 -9.129 -8.981 -8.836 -8.695 -8.557 -8.421 -8.289 -8.160 -8.034 -7.910 -7.789 -7.671 -7.555 -7.441 -7.330 -7.222 -7.115 -7.011 -6.909 -6.809 Hg2+2 Hg2(+2) P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 4 -2.000 1 1.000 2 2.000 20 -0.500 31 13.890 12.208 10.756 9.496 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.890 12.208 10.756 9.496 8.393 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.891 12.209 10.757 9.497 8.394 7.418 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.894 12.211 10.759 9.499 8.396 7.419 6.544 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.897 12.215 10.763 9.503 8.400 7.423 6.547 5.754 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.904 12.221 10.768 9.508 8.405 7.428 6.552 5.759 5.031 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.913 12.230 10.777 9.517 8.413 7.436 6.560 5.766 5.038 4.361 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.925 12.243 10.789 9.528 8.424 7.447 6.571 5.777 5.050 4.372 3.730 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.943 12.260 10.806 9.544 8.440 7.462 6.586 5.792 5.065 4.388 3.748 3.126 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.967 12.283 10.828 9.566 8.460 7.482 6.606 5.812 5.085 4.410 3.771 3.153 2.541 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.997 12.314 10.857 9.594 8.487 7.508 6.631 5.838 5.111 4.437 3.800 3.187 2.582 1.976 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.036 12.352 10.894 9.629 8.522 7.541 6.664 5.871 5.145 4.472 3.838 3.230 2.634 2.034 1.440 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.066 12.382 10.923 9.657 8.548 7.567 6.689 5.896 5.170 4.498 3.867 3.263 2.673 2.081 1.455 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.109 12.424 10.963 9.696 8.585 7.603 6.725 5.932 5.206 4.536 3.907 3.309 2.728 2.149 1.524 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.151 12.466 11.004 9.734 8.623 7.639 6.761 5.967 5.242 4.572 3.947 3.353 2.781 2.215 1.607 2.613 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.192 12.507 11.043 9.772 8.659 7.675 6.795 6.001 5.277 4.608 3.985 3.396 2.831 2.278 1.693 1.651 1.957 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.233 12.547 11.082 9.809 8.695 7.710 6.830 6.035 5.311 4.644 4.022 3.437 2.880 2.338 1.776 1.444 1.479 1.625 1.853 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.273 12.587 11.121 9.846 8.731 7.744 6.864 6.069 5.345 4.678 4.059 3.478 2.926 2.395 1.854 1.373 1.322 1.324 1.389 1.500 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.312 12.626 11.159 9.883 8.766 7.779 6.897 6.102 5.378 4.712 4.095 3.517 2.971 2.449 1.927 1.351 1.261 1.201 1.179 1.196 1.241 1.283 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.351 12.665 11.196 9.919 8.801 7.812 6.930 6.135 5.411 4.746 4.130 3.554 3.013 2.500 1.995 1.351 1.240 1.149 1.082 1.042 1.028 1.033 1.039 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.390 12.704 11.234 9.955 8.835 7.846 6.963 6.167 5.443 4.779 4.164 3.591 3.054 2.547 2.056 1.362 1.239 1.130 1.038 0.964 0.911 0.877 0.856 0.837 0.810 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.428 12.742 11.270 9.990 8.869 7.879 6.995 6.199 5.475 4.811 4.197 3.626 3.093 2.592 2.112 1.381 1.250 1.130 1.022 0.928 0.849 0.787 0.738 0.699 0.664 0.626 0.580 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.465 12.780 11.307 10.025 8.903 7.911 7.027 6.230 5.506 4.843 4.230 3.661 3.130 2.633 2.163 1.404 1.267 1.140 1.022 0.915 0.820 0.737 0.667 0.608 0.557 0.511 0.465 0.417 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.502 12.817 11.343 10.060 8.936 7.943 7.058 6.261 5.537 4.874 4.262 3.694 3.166 2.672 2.209 1.430 1.289 1.156 1.032 0.916 0.809 0.713 0.627 0.552 0.485 0.426 0.373 0.321 0.271 0.221 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.539 12.854 11.378 10.094 8.969 7.975 7.089 6.292 5.568 4.905 4.294 3.727 3.200 2.709 2.250 1.457 1.314 1.177 1.048 0.926 0.811 0.705 0.609 0.521 0.441 0.370 0.305 0.246 0.191 0.139 0.090 99999.999 99999.999 99999.999 99999.999 99999.999 14.575 12.890 11.414 10.128 9.002 8.007 7.120 6.322 5.598 4.935 4.325 3.759 3.233 2.744 2.288 1.486 1.341 1.201 1.068 0.941 0.822 0.709 0.604 0.506 0.417 0.335 0.260 0.192 0.129 0.071 0.018 -0.031 -0.075 99999.999 99999.999 99999.999 14.611 12.926 11.449 10.161 9.034 8.038 7.150 6.352 5.628 4.965 4.355 3.790 3.265 2.777 2.323 1.515 1.368 1.227 1.091 0.961 0.837 0.720 0.608 0.504 0.406 0.316 0.232 0.155 0.084 0.019 -0.040 -0.095 -0.144 -0.187 99999.999 99999.999 14.646 12.962 11.483 10.195 9.066 8.069 7.180 6.382 5.657 4.995 4.385 3.821 3.297 2.809 2.356 1.545 1.397 1.254 1.117 0.984 0.857 0.735 0.620 0.510 0.406 0.309 0.218 0.133 0.055 -0.018 -0.084 -0.145 -0.200 -0.249 -0.292 -0.329 14.681 12.997 11.517 10.227 9.097 8.099 7.210 6.411 5.687 5.024 4.415 3.851 3.327 2.841 2.388 1.575 1.426 1.282 1.143 1.009 0.879 0.755 0.636 0.522 0.413 0.311 0.214 0.123 0.038 -0.041 -0.115 -0.182 -0.244 -0.300 -0.349 -0.393 15.010 13.332 11.843 10.540 9.398 8.390 7.493 6.688 5.961 5.298 4.691 4.130 3.611 3.129 2.680 1.867 1.717 1.570 1.427 1.288 1.151 1.018 0.888 0.761 0.637 0.516 0.398 0.282 0.170 0.060 -0.046 -0.150 -0.250 -0.347 -0.441 -0.532 15.307 13.639 12.143 10.829 9.676 8.657 7.752 6.941 6.210 5.546 4.938 4.380 3.863 3.384 2.939 2.133 1.984 1.838 1.696 1.557 1.421 1.289 1.159 1.031 0.907 0.784 0.665 0.547 0.432 0.318 0.207 0.098 -0.009 -0.114 -0.218 -0.319 15.581 13.924 12.422 11.099 9.935 8.907 7.994 7.177 6.441 5.774 5.165 4.606 4.092 3.615 3.172 2.372 2.224 2.080 1.939 1.802 1.668 1.536 1.408 1.282 1.158 1.038 0.919 0.802 0.688 0.576 0.465 0.356 0.249 0.144 0.040 -0.062 15.834 14.192 12.686 11.353 10.180 9.143 8.221 7.398 6.657 5.986 5.375 4.816 4.301 3.826 3.384 2.590 2.443 2.300 2.160 2.024 1.891 1.761 1.634 1.510 1.388 1.269 1.151 1.037 0.924 0.813 0.704 0.597 0.492 0.388 0.285 0.184 16.072 14.446 12.936 11.595 10.413 9.367 8.438 7.607 6.861 6.186 5.572 5.011 4.496 4.021 3.581 2.789 2.644 2.501 2.363 2.228 2.096 1.967 1.841 1.718 1.597 1.479 1.364 1.250 1.139 1.030 0.922 0.817 0.713 0.611 0.510 0.411 16.297 14.688 13.175 11.827 10.636 9.581 8.644 7.807 7.055 6.376 5.759 5.196 4.680 4.204 3.764 2.975 2.829 2.688 2.550 2.416 2.285 2.157 2.032 1.909 1.790 1.673 1.558 1.446 1.336 1.228 1.122 1.018 0.916 0.815 0.716 0.618 16.511 14.920 13.405 12.050 10.850 9.788 8.843 7.999 7.241 6.557 5.937 5.371 4.853 4.377 3.936 3.148 3.003 2.862 2.725 2.591 2.460 2.333 2.209 2.087 1.968 1.852 1.739 1.627 1.518 1.411 1.306 1.203 1.102 1.002 0.904 0.808 99999.999 15.144 13.627 12.265 11.057 9.987 9.035 8.184 7.421 6.732 6.107 5.539 5.019 4.541 4.100 3.311 3.167 3.026 2.889 2.755 2.625 2.498 2.374 2.253 2.135 2.019 1.906 1.796 1.687 1.581 1.477 1.374 1.274 1.175 1.078 0.983 HgCl+ HgCl(1) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 2 1.000 3 1.000 20 -8.038 -7.430 -7.012 -6.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.038 -7.430 -7.012 -6.724 -6.531 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.038 -7.430 -7.012 -6.723 -6.531 -6.415 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.038 -7.429 -7.012 -6.723 -6.531 -6.415 -6.363 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.037 -7.429 -7.011 -6.723 -6.530 -6.414 -6.362 -6.366 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.037 -7.428 -7.010 -6.722 -6.529 -6.413 -6.361 -6.364 -6.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.035 -7.427 -7.009 -6.720 -6.528 -6.411 -6.358 -6.361 -6.416 -6.521 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.033 -7.425 -7.008 -6.719 -6.525 -6.409 -6.355 -6.358 -6.411 -6.515 -6.676 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.031 -7.423 -7.005 -6.716 -6.523 -6.405 -6.351 -6.352 -6.404 -6.506 -6.664 -6.889 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.028 -7.420 -7.002 -6.713 -6.519 -6.401 -6.346 -6.346 -6.396 -6.495 -6.648 -6.866 -7.171 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.023 -7.416 -6.998 -6.708 -6.514 -6.395 -6.338 -6.337 -6.384 -6.480 -6.628 -6.838 -7.127 -7.538 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.018 -7.411 -6.993 -6.703 -6.508 -6.387 -6.329 -6.326 -6.370 -6.462 -6.604 -6.802 -7.074 -7.452 -8.052 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.014 -7.408 -6.990 -6.699 -6.503 -6.382 -6.323 -6.317 -6.360 -6.449 -6.585 -6.777 -7.035 -7.390 -7.944 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.009 -7.403 -6.984 -6.693 -6.496 -6.374 -6.313 -6.306 -6.345 -6.430 -6.560 -6.741 -6.983 -7.309 -7.803 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.004 -7.398 -6.979 -6.688 -6.490 -6.366 -6.304 -6.294 -6.331 -6.412 -6.537 -6.708 -6.934 -7.235 -7.677 -8.137 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.999 -7.394 -6.975 -6.682 -6.484 -6.359 -6.295 -6.283 -6.318 -6.395 -6.514 -6.677 -6.890 -7.167 -7.564 -7.946 -8.158 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.995 -7.389 -6.970 -6.677 -6.478 -6.352 -6.287 -6.273 -6.305 -6.378 -6.492 -6.647 -6.848 -7.105 -7.463 -7.858 -8.015 -8.218 -8.547 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.991 -7.385 -6.966 -6.672 -6.472 -6.345 -6.278 -6.263 -6.292 -6.362 -6.472 -6.620 -6.809 -7.048 -7.372 -7.780 -7.922 -8.083 -8.279 -8.551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.987 -7.381 -6.961 -6.667 -6.466 -6.338 -6.270 -6.253 -6.280 -6.347 -6.452 -6.593 -6.773 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Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 2 4.000 3 1.000 20 -17.253 -15.270 -13.957 -13.085 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.253 -15.270 -13.957 -13.085 -12.535 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.252 -15.269 -13.956 -13.084 -12.534 -12.229 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 2 1.000 23 1.000 20 -1.700 -1.630 -1.672 -1.776 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.700 -1.630 -1.672 -1.776 -1.922 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.700 -1.630 -1.671 -1.776 -1.922 -2.101 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-4.113 -4.517 -5.088 -5.241 -5.399 -5.568 -5.756 -5.986 -6.284 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.638 -1.575 -1.616 -1.714 -1.852 -2.017 -2.206 -2.414 -2.641 -2.886 -3.150 -3.432 -3.735 -4.065 -4.442 -5.031 -5.180 -5.334 -5.494 -5.665 -5.854 -6.072 -6.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.634 -1.571 -1.612 -1.710 -1.846 -2.011 -2.198 -2.404 -2.629 -2.871 -3.131 -3.408 -3.703 -4.020 -4.375 -4.978 -5.123 -5.272 -5.426 -5.588 -5.759 -5.945 -6.154 -6.392 -6.664 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.630 -1.567 -1.607 -1.705 -1.841 -2.004 -2.190 -2.395 -2.618 -2.857 -3.113 -3.385 -3.673 -3.980 -4.316 -4.927 -5.068 -5.213 -5.363 -5.518 -5.679 -5.850 -6.033 -6.232 -6.452 -6.695 -6.960 99999.999 99999.999 99999.999 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-5.143 -5.280 -5.420 -5.564 -5.712 -5.863 -6.019 -6.179 -6.343 -6.512 -6.685 -6.861 -7.039 -7.217 -7.393 99999.999 99999.999 99999.999 -1.612 -1.550 -1.588 -1.683 -1.815 -1.974 -2.154 -2.351 -2.565 -2.792 -3.033 -3.287 -3.551 -3.825 -4.110 -4.709 -4.836 -4.964 -5.095 -5.229 -5.366 -5.505 -5.648 -5.794 -5.944 -6.097 -6.253 -6.412 -6.575 -6.739 -6.905 -7.070 -7.234 -7.394 99999.999 99999.999 -1.609 -1.547 -1.585 -1.679 -1.811 -1.969 -2.147 -2.343 -2.555 -2.780 -3.019 -3.269 -3.530 -3.801 -4.081 -4.671 -4.795 -4.921 -5.050 -5.180 -5.314 -5.450 -5.589 -5.730 -5.875 -6.022 -6.172 -6.324 -6.479 -6.635 -6.792 -6.948 -7.103 -7.255 -7.403 -7.546 -1.607 -1.544 -1.581 -1.675 -1.806 -1.963 -2.141 -2.335 -2.545 -2.769 -3.005 -3.253 -3.511 -3.778 -4.054 -4.635 -4.757 -4.880 -5.006 -5.134 -5.264 -5.397 -5.532 -5.670 -5.810 -5.953 -6.098 -6.245 -6.393 -6.543 -6.693 -6.843 -6.991 -7.137 -7.280 -7.418 -1.587 -1.519 -1.552 -1.641 -1.765 -1.914 -2.082 -2.265 -2.460 -2.667 -2.883 -3.108 -3.341 -3.581 -3.827 -4.336 -4.441 -4.546 -4.653 -4.761 -4.871 -4.981 -5.093 -5.206 -5.320 -5.435 -5.552 -5.669 -5.788 -5.907 -6.026 -6.147 -6.267 -6.387 -6.507 -6.626 -1.582 -1.504 -1.531 -1.614 -1.732 -1.874 -2.034 -2.207 -2.391 -2.584 -2.786 -2.994 -3.208 -3.428 -3.652 -4.112 -4.206 -4.300 -4.395 -4.491 -4.587 -4.685 -4.783 -4.882 -4.981 -5.081 -5.183 -5.284 -5.387 -5.490 -5.594 -5.699 -5.804 -5.909 -6.015 -6.121 -1.586 -1.496 -1.516 -1.593 -1.705 -1.841 -1.994 -2.159 -2.334 -2.516 -2.705 -2.900 -3.100 -3.304 -3.511 -3.934 -4.020 -4.106 -4.192 -4.280 -4.367 -4.455 -4.544 -4.633 -4.722 -4.812 -4.903 -4.994 -5.086 -5.178 -5.271 -5.364 -5.458 -5.553 -5.647 -5.743 -1.600 -1.495 -1.506 -1.576 -1.683 -1.813 -1.960 -2.118 -2.285 -2.458 -2.638 -2.822 -3.009 -3.200 -3.394 -3.787 -3.867 -3.947 -4.027 -4.107 -4.188 -4.269 -4.350 -4.432 -4.514 -4.597 -4.679 -4.763 -4.846 -4.930 -5.015 -5.100 -5.185 -5.271 -5.358 -5.444 -1.619 -1.498 -1.500 -1.564 -1.665 -1.789 -1.930 -2.082 -2.243 -2.409 -2.580 -2.755 -2.932 -3.112 -3.295 -3.664 -3.738 -3.813 -3.888 -3.963 -4.038 -4.114 -4.189 -4.265 -4.342 -4.418 -4.495 -4.572 -4.649 -4.727 -4.805 -4.884 -4.963 -5.042 -5.122 -5.202 -1.645 -1.505 -1.498 -1.555 -1.650 -1.770 -1.905 -2.052 -2.206 -2.366 -2.530 -2.697 -2.866 -3.037 -3.210 -3.558 -3.629 -3.699 -3.769 -3.840 -3.911 -3.982 -4.053 -4.124 -4.196 -4.267 -4.339 -4.411 -4.484 -4.556 -4.629 -4.703 -4.776 -4.850 -4.925 -4.999 -1.674 -1.515 -1.499 -1.549 -1.639 -1.753 -1.884 -2.025 -2.174 -2.328 -2.486 -2.646 -2.808 -2.971 -3.136 -3.467 -3.534 -3.600 -3.667 -3.734 -3.801 -3.868 -3.935 -4.003 -4.070 -4.138 -4.206 -4.274 -4.342 -4.411 -4.479 -4.549 -4.618 -4.688 -4.758 -4.828 99999.999 -1.528 -1.502 -1.546 -1.630 -1.739 -1.865 -2.002 -2.146 -2.295 -2.447 -2.601 -2.757 -2.913 -3.071 -3.387 -3.450 -3.514 -3.578 -3.641 -3.705 -3.769 -3.833 -3.897 -3.961 -4.025 -4.090 -4.155 -4.219 -4.285 -4.350 -4.415 -4.481 -4.547 -4.614 -4.681 HgO,aq HgO(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 2.000 Ref: Shock07 3 -2.000 1 1.000 20 1.000 2 6.788 6.178 5.726 5.387 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.788 6.178 5.726 5.387 5.130 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.788 6.177 5.726 5.387 5.130 4.934 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.788 6.177 5.726 5.387 5.130 4.934 4.782 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.787 6.177 5.726 5.387 5.130 4.934 4.782 4.664 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.786 6.176 5.725 5.386 5.129 4.933 4.782 4.664 4.569 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.785 6.175 5.724 5.385 5.129 4.933 4.782 4.664 4.570 4.491 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.783 6.173 5.723 5.384 5.128 4.932 4.782 4.664 4.570 4.492 4.420 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.780 6.171 5.721 5.383 5.127 4.931 4.781 4.664 4.571 4.494 4.423 4.349 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.777 6.168 5.718 5.381 5.125 4.930 4.781 4.664 4.572 4.496 4.427 4.356 4.276 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.772 6.164 5.715 5.378 5.123 4.929 4.780 4.664 4.573 4.499 4.432 4.365 4.289 4.204 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.766 6.159 5.710 5.374 5.120 4.927 4.779 4.664 4.575 4.502 4.438 4.375 4.306 4.224 4.147 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.761 6.155 5.707 5.371 5.117 4.925 4.778 4.664 4.576 4.504 4.443 4.383 4.319 4.242 4.135 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.754 6.149 5.702 5.367 5.114 4.922 4.776 4.664 4.577 4.507 4.449 4.394 4.336 4.268 4.158 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.747 6.143 5.697 5.362 5.110 4.920 4.774 4.664 4.578 4.510 4.454 4.404 4.353 4.293 4.194 5.689 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.739 6.136 5.691 5.358 5.107 4.917 4.773 4.663 4.579 4.513 4.459 4.413 4.368 4.318 4.233 4.898 5.281 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.732 6.130 5.686 5.353 5.103 4.914 4.771 4.662 4.579 4.515 4.464 4.421 4.382 4.340 4.272 4.705 4.872 5.126 5.447 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.725 6.124 5.681 5.349 5.099 4.911 4.769 4.661 4.579 4.517 4.468 4.428 4.394 4.360 4.307 4.622 4.719 4.857 5.045 5.270 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.717 6.118 5.675 5.344 5.095 4.908 4.766 4.660 4.580 4.518 4.472 4.435 4.405 4.379 4.340 4.579 4.644 4.732 4.849 4.997 5.167 5.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.710 6.111 5.670 5.340 5.091 4.905 4.764 4.659 4.579 4.520 4.475 4.441 4.416 4.395 4.368 4.555 4.603 4.665 4.745 4.846 4.968 5.103 5.238 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.702 6.105 5.664 5.335 5.087 4.901 4.762 4.657 4.579 4.521 4.478 4.447 4.425 4.409 4.393 4.540 4.578 4.626 4.685 4.758 4.847 4.949 5.061 5.175 5.280 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.695 6.099 5.659 5.330 5.083 4.898 4.759 4.656 4.579 4.522 4.481 4.451 4.432 4.422 4.414 4.532 4.563 4.601 4.648 4.704 4.772 4.851 4.939 5.035 5.133 5.227 5.313 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.687 6.092 5.653 5.325 5.079 4.895 4.757 4.654 4.578 4.523 4.483 4.456 4.439 4.432 4.431 4.528 4.555 4.586 4.625 4.670 4.723 4.786 4.857 4.935 5.019 5.106 5.191 5.273 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.679 6.085 5.647 5.320 5.075 4.891 4.754 4.653 4.578 4.523 4.485 4.459 4.445 4.441 4.445 4.527 4.550 4.577 4.610 4.648 4.692 4.743 4.800 4.865 4.936 5.011 5.089 5.168 5.246 5.321 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.671 6.079 5.641 5.315 5.071 4.888 4.751 4.651 4.577 4.524 4.487 4.463 4.450 4.449 4.456 4.527 4.548 4.572 4.600 4.633 4.670 4.713 4.762 4.816 4.876 4.941 5.010 5.081 5.154 5.228 5.303 99999.999 99999.999 99999.999 99999.999 99999.999 6.664 6.072 5.636 5.310 5.066 4.884 4.749 4.649 4.576 4.524 4.488 4.466 4.455 4.455 4.465 4.529 4.548 4.570 4.595 4.624 4.656 4.693 4.735 4.781 4.833 4.888 4.949 5.012 5.079 5.148 5.219 5.291 5.365 99999.999 99999.999 99999.999 6.656 6.066 5.630 5.305 5.062 4.880 4.746 4.647 4.575 4.524 4.489 4.468 4.459 4.460 4.472 4.531 4.549 4.569 4.592 4.618 4.647 4.680 4.716 4.757 4.801 4.850 4.903 4.959 5.019 5.082 5.148 5.216 5.286 5.359 99999.999 99999.999 6.648 6.059 5.624 5.300 5.057 4.877 4.743 4.645 4.574 4.524 4.490 4.470 4.462 4.464 4.477 4.534 4.551 4.570 4.592 4.616 4.642 4.671 4.704 4.740 4.779 4.822 4.868 4.919 4.972 5.029 5.089 5.152 5.217 5.286 5.357 5.431 6.640 6.052 5.618 5.295 5.053 4.873 4.740 4.642 4.573 4.524 4.491 4.472 4.465 4.468 4.481 4.538 4.554 4.572 4.593 4.615 4.639 4.666 4.696 4.728 4.763 4.801 4.843 4.888 4.936 4.987 5.041 5.099 5.159 5.222 5.289 5.358 6.558 5.982 5.557 5.241 5.006 4.832 4.706 4.616 4.555 4.515 4.492 4.483 4.486 4.497 4.518 4.580 4.596 4.612 4.629 4.647 4.666 4.685 4.705 4.726 4.748 4.771 4.794 4.818 4.843 4.869 4.896 4.924 4.953 4.983 5.014 5.047 6.473 5.909 5.492 5.183 4.955 4.787 4.667 4.584 4.530 4.498 4.483 4.483 4.493 4.513 4.541 4.616 4.634 4.652 4.671 4.690 4.710 4.730 4.751 4.772 4.794 4.816 4.838 4.860 4.883 4.906 4.929 4.952 4.975 4.999 5.022 5.046 6.385 5.834 5.426 5.124 4.901 4.740 4.626 4.548 4.500 4.474 4.467 4.473 4.491 4.518 4.553 4.642 4.662 4.682 4.703 4.725 4.747 4.770 4.792 4.815 4.839 4.862 4.886 4.910 4.934 4.958 4.982 5.005 5.029 5.053 5.077 5.100 6.295 5.757 5.358 5.062 4.846 4.690 4.581 4.509 4.466 4.446 4.445 4.458 4.482 4.516 4.557 4.658 4.680 4.703 4.726 4.750 4.775 4.799 4.824 4.850 4.875 4.901 4.927 4.953 4.978 5.004 5.030 5.056 5.082 5.107 5.132 5.157 6.203 5.679 5.288 5.000 4.789 4.639 4.535 4.468 4.430 4.415 4.419 4.437 4.468 4.507 4.554 4.666 4.691 4.716 4.741 4.767 4.794 4.821 4.848 4.875 4.903 4.931 4.958 4.986 5.014 5.042 5.070 5.098 5.126 5.153 5.180 5.208 6.111 5.600 5.217 4.936 4.731 4.586 4.487 4.425 4.391 4.381 4.390 4.413 4.449 4.494 4.546 4.668 4.694 4.722 4.749 4.777 4.806 4.835 4.864 4.893 4.922 4.952 4.982 5.012 5.042 5.072 5.101 5.131 5.161 5.190 5.220 5.249 6.019 5.520 5.146 4.871 4.673 4.532 4.438 4.380 4.351 4.346 4.359 4.387 4.426 4.476 4.533 4.665 4.693 4.722 4.751 4.781 4.812 4.842 4.873 4.904 4.935 4.967 4.998 5.030 5.062 5.093 5.125 5.156 5.188 5.219 5.250 5.281 99999.999 5.441 5.075 4.806 4.613 4.478 4.388 4.335 4.310 4.308 4.325 4.357 4.402 4.455 4.517 4.657 4.687 4.718 4.749 4.780 4.812 4.844 4.877 4.910 4.943 4.976 5.009 5.042 5.075 5.109 5.142 5.175 5.208 5.241 5.273 5.306 HgOH+ HgOH(+1) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 3 -1.000 1 1.000 2 1.000 20 3.848 3.392 2.967 2.580 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.848 3.392 2.967 2.580 2.228 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.848 3.392 2.967 2.580 2.228 1.904 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.848 3.392 2.967 2.580 2.228 1.904 1.605 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.847 3.392 2.967 2.580 2.227 1.904 1.605 1.325 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.847 3.391 2.967 2.580 2.227 1.904 1.605 1.325 1.061 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.846 3.391 2.966 2.580 2.227 1.904 1.605 1.325 1.061 0.808 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.845 3.390 2.966 2.579 2.227 1.904 1.605 1.326 1.062 0.809 0.563 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.844 3.389 2.965 2.579 2.227 1.904 1.605 1.326 1.063 0.811 0.565 0.321 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.842 3.388 2.964 2.578 2.226 1.904 1.605 1.327 1.064 0.813 0.568 0.326 0.082 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.839 3.386 2.963 2.577 2.226 1.903 1.606 1.328 1.065 0.815 0.572 0.332 0.091 -0.147 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.836 3.384 2.961 2.576 2.225 1.903 1.606 1.328 1.067 0.818 0.577 0.340 0.102 -0.136 -0.346 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.833 3.382 2.960 2.575 2.224 1.903 1.606 1.329 1.068 0.820 0.580 0.345 0.111 -0.126 -0.368 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.830 3.379 2.957 2.573 2.223 1.902 1.606 1.330 1.070 0.823 0.585 0.353 0.123 -0.109 -0.360 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.826 3.376 2.955 2.571 2.221 1.901 1.606 1.330 1.071 0.826 0.590 0.360 0.135 -0.092 -0.339 0.701 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.822 3.373 2.953 2.569 2.220 1.900 1.605 1.331 1.073 0.828 0.594 0.367 0.145 -0.075 -0.314 -0.060 0.241 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.817 3.370 2.950 2.567 2.218 1.899 1.605 1.331 1.074 0.830 0.597 0.373 0.155 -0.059 -0.288 -0.248 -0.156 0.024 0.282 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.813 3.367 2.948 2.565 2.217 1.898 1.604 1.331 1.075 0.832 0.601 0.379 0.164 -0.045 -0.263 -0.332 -0.308 -0.242 -0.124 0.038 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.809 3.364 2.945 2.563 2.215 1.897 1.604 1.331 1.076 0.834 0.604 0.384 0.173 -0.032 -0.241 -0.379 -0.385 -0.367 -0.320 -0.241 -0.134 -0.020 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.804 3.360 2.942 2.561 2.214 1.896 1.603 1.331 1.076 0.835 0.607 0.389 0.180 -0.021 -0.221 -0.408 -0.430 -0.438 -0.427 -0.395 -0.340 -0.268 -0.189 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.800 3.357 2.940 2.559 2.212 1.895 1.602 1.331 1.077 0.837 0.609 0.393 0.186 -0.011 -0.204 -0.426 -0.459 -0.481 -0.491 -0.487 -0.466 -0.429 -0.380 -0.325 -0.272 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.795 3.353 2.937 2.556 2.210 1.893 1.601 1.331 1.077 0.838 0.612 0.396 0.192 -0.002 -0.189 -0.438 -0.478 -0.510 -0.533 -0.545 -0.546 -0.534 -0.510 -0.477 -0.439 -0.401 -0.366 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.791 3.350 2.934 2.554 2.208 1.892 1.600 1.330 1.077 0.839 0.614 0.400 0.197 0.005 -0.178 -0.446 -0.491 -0.529 -0.561 -0.584 -0.599 -0.604 -0.600 -0.586 -0.565 -0.539 -0.511 -0.484 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.786 3.346 2.931 2.551 2.206 1.890 1.599 1.330 1.078 0.840 0.615 0.403 0.201 0.011 -0.168 -0.452 -0.500 -0.543 -0.580 -0.612 -0.636 -0.653 -0.662 -0.663 -0.657 -0.645 -0.628 -0.609 -0.588 -0.568 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.781 3.343 2.928 2.549 2.204 1.888 1.598 1.329 1.078 0.841 0.617 0.405 0.205 0.016 -0.161 -0.455 -0.506 -0.552 -0.594 -0.631 -0.662 -0.688 -0.707 -0.719 -0.725 -0.724 -0.719 -0.709 -0.696 -0.681 -0.665 99999.999 99999.999 99999.999 99999.999 99999.999 3.777 3.339 2.925 2.546 2.202 1.887 1.597 1.328 1.078 0.842 0.619 0.407 0.208 0.020 -0.155 -0.457 -0.509 -0.558 -0.604 -0.645 -0.681 -0.713 -0.739 -0.760 -0.775 -0.784 -0.788 -0.788 -0.784 -0.776 -0.766 -0.754 -0.739 99999.999 99999.999 99999.999 3.772 3.335 2.922 2.544 2.200 1.885 1.596 1.328 1.077 0.842 0.620 0.409 0.211 0.024 -0.151 -0.458 -0.512 -0.563 -0.610 -0.655 -0.695 -0.731 -0.763 -0.790 -0.812 -0.830 -0.842 -0.850 -0.854 -0.854 -0.850 -0.844 -0.835 -0.823 99999.999 99999.999 3.767 3.331 2.919 2.541 2.197 1.883 1.594 1.327 1.077 0.842 0.621 0.411 0.213 0.027 -0.148 -0.458 -0.513 -0.566 -0.615 -0.662 -0.705 -0.745 -0.781 -0.813 -0.841 -0.864 -0.883 -0.898 -0.909 -0.916 -0.920 -0.920 -0.917 -0.910 -0.901 -0.889 3.762 3.327 2.915 2.538 2.195 1.881 1.593 1.326 1.077 0.843 0.622 0.413 0.215 0.029 -0.146 -0.458 -0.514 -0.567 -0.618 -0.667 -0.712 -0.755 -0.794 -0.830 -0.862 -0.891 -0.915 -0.936 -0.953 -0.967 -0.976 -0.982 -0.985 -0.985 -0.982 -0.975 3.709 3.286 2.880 2.508 2.169 1.860 1.575 1.313 1.069 0.841 0.626 0.423 0.231 0.049 -0.123 -0.440 -0.499 -0.556 -0.613 -0.668 -0.721 -0.774 -0.825 -0.875 -0.923 -0.970 -1.016 -1.060 -1.103 -1.145 -1.185 -1.223 -1.260 -1.296 -1.329 -1.361 3.652 3.240 2.842 2.474 2.139 1.834 1.553 1.295 1.055 0.832 0.622 0.424 0.237 0.060 -0.108 -0.419 -0.478 -0.535 -0.592 -0.647 -0.701 -0.755 -0.807 -0.858 -0.909 -0.959 -1.007 -1.056 -1.103 -1.149 -1.195 -1.240 -1.284 -1.328 -1.371 -1.413 3.592 3.192 2.800 2.438 2.107 1.805 1.528 1.273 1.037 0.818 0.612 0.419 0.237 0.064 -0.100 -0.404 -0.462 -0.518 -0.573 -0.628 -0.681 -0.734 -0.785 -0.836 -0.886 -0.936 -0.985 -1.033 -1.080 -1.127 -1.173 -1.219 -1.265 -1.309 -1.354 -1.398 3.529 3.141 2.756 2.399 2.072 1.773 1.500 1.249 1.016 0.800 0.599 0.409 0.231 0.062 -0.098 -0.395 -0.451 -0.506 -0.560 -0.613 -0.665 -0.717 -0.767 -0.817 -0.866 -0.915 -0.963 -1.010 -1.057 -1.103 -1.148 -1.193 -1.238 -1.282 -1.326 -1.370 3.464 3.089 2.711 2.358 2.035 1.740 1.470 1.222 0.993 0.780 0.582 0.396 0.221 0.056 -0.100 -0.390 -0.445 -0.499 -0.552 -0.604 -0.655 -0.705 -0.754 -0.803 -0.851 -0.898 -0.945 -0.991 -1.037 -1.082 -1.126 -1.170 -1.214 -1.257 -1.300 -1.343 3.398 3.035 2.664 2.317 1.998 1.706 1.439 1.193 0.967 0.757 0.562 0.380 0.208 0.046 -0.107 -0.390 -0.444 -0.496 -0.548 -0.599 -0.648 -0.697 -0.746 -0.793 -0.840 -0.886 -0.932 -0.977 -1.021 -1.065 -1.109 -1.152 -1.194 -1.236 -1.278 -1.320 3.332 2.981 2.616 2.274 1.959 1.670 1.406 1.164 0.940 0.733 0.541 0.361 0.193 0.034 -0.116 -0.394 -0.446 -0.497 -0.548 -0.597 -0.646 -0.694 -0.741 -0.788 -0.833 -0.879 -0.923 -0.967 -1.010 -1.053 -1.096 -1.138 -1.179 -1.220 -1.261 -1.301 99999.999 2.926 2.568 2.230 1.919 1.634 1.373 1.133 0.912 0.708 0.518 0.341 0.175 0.019 -0.128 -0.400 -0.451 -0.502 -0.551 -0.599 -0.647 -0.694 -0.740 -0.786 -0.830 -0.875 -0.918 -0.961 -1.003 -1.045 -1.087 -1.128 -1.168 -1.208 -1.248 -1.287 HHgO2- HHgO2(-1) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 3.000 Ref: Shock07 3 -3.000 1 1.000 20 2.000 2 22.667 21.122 19.912 18.952 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.667 21.122 19.912 18.952 18.184 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.667 21.121 19.912 18.951 18.183 17.567 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.666 21.121 19.911 18.951 18.182 17.566 17.072 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.664 21.119 19.910 18.949 18.181 17.565 17.070 16.677 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.661 21.117 19.907 18.947 18.179 17.563 17.068 16.675 16.367 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.657 21.113 19.904 18.944 18.176 17.560 17.065 16.672 16.364 16.130 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.652 21.108 19.899 18.940 18.172 17.555 17.061 16.668 16.359 16.125 15.958 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.644 21.101 19.893 18.934 18.166 17.549 17.055 16.661 16.353 16.118 15.950 15.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.633 21.092 19.884 18.925 18.158 17.541 17.047 16.653 16.344 16.108 15.939 15.835 15.810 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.619 21.079 19.873 18.914 18.147 17.531 17.037 16.642 16.333 16.096 15.924 15.817 15.783 15.866 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.601 21.063 19.858 18.900 18.134 17.518 17.023 16.629 16.318 16.080 15.906 15.795 15.752 15.804 16.109 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.587 21.051 19.847 18.889 18.123 17.507 17.013 16.618 16.307 16.067 15.893 15.779 15.730 15.765 15.969 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.566 21.033 19.830 18.874 18.108 17.492 16.998 16.603 16.291 16.050 15.873 15.756 15.700 15.717 15.851 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.546 21.015 19.813 18.858 18.093 17.477 16.983 16.587 16.275 16.033 15.854 15.734 15.672 15.677 15.772 18.375 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.525 20.997 19.797 18.842 18.077 17.462 16.968 16.572 16.259 16.016 15.836 15.713 15.646 15.641 15.712 16.819 17.614 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.505 20.979 19.780 18.826 18.062 17.447 16.953 16.557 16.243 16.000 15.818 15.692 15.622 15.609 15.663 16.391 16.761 17.328 18.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.484 20.961 19.763 18.811 18.047 17.432 16.938 16.542 16.228 15.983 15.800 15.673 15.598 15.579 15.621 16.163 16.396 16.720 17.170 17.764 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.464 20.942 19.747 18.795 18.031 17.417 16.923 16.527 16.212 15.967 15.783 15.653 15.576 15.551 15.584 16.010 16.179 16.400 16.690 17.066 17.534 18.081 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.443 20.924 19.730 18.779 18.016 17.402 16.908 16.512 16.197 15.951 15.765 15.634 15.554 15.525 15.549 15.896 16.027 16.193 16.402 16.665 16.991 17.380 17.824 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.423 20.906 19.713 18.763 18.001 17.387 16.893 16.497 16.182 15.935 15.748 15.615 15.533 15.500 15.518 15.805 15.911 16.043 16.205 16.404 16.645 16.933 17.267 17.641 18.043 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.402 20.888 19.696 18.747 17.986 17.372 16.878 16.482 16.166 15.919 15.732 15.597 15.512 15.475 15.488 15.729 15.818 15.927 16.058 16.217 16.406 16.629 16.887 17.181 17.504 17.850 18.208 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.382 20.870 19.679 18.731 17.970 17.357 16.864 16.467 16.151 15.904 15.715 15.579 15.492 15.451 15.459 15.664 15.740 15.832 15.942 16.073 16.227 16.407 16.614 16.850 17.112 17.397 17.700 18.014 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.361 20.851 19.662 18.715 17.955 17.342 16.849 16.452 16.136 15.888 15.698 15.561 15.472 15.428 15.431 15.607 15.673 15.753 15.847 15.958 16.087 16.236 16.407 16.601 16.818 17.055 17.311 17.581 17.861 18.145 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.341 20.833 19.646 18.699 17.940 17.328 16.834 16.438 16.121 15.872 15.682 15.543 15.452 15.406 15.404 15.556 15.614 15.684 15.766 15.862 15.973 16.100 16.245 16.408 16.590 16.791 17.008 17.240 17.483 17.735 17.992 99999.999 99999.999 99999.999 99999.999 99999.999 22.320 20.815 19.629 18.683 17.924 17.313 16.819 16.423 16.106 15.857 15.666 15.526 15.433 15.384 15.378 15.509 15.561 15.623 15.696 15.780 15.877 15.987 16.112 16.252 16.408 16.580 16.767 16.967 17.180 17.402 17.631 17.864 18.100 99999.999 99999.999 99999.999 22.299 20.797 19.612 18.667 17.909 17.298 16.805 16.408 16.091 15.842 15.650 15.509 15.414 15.362 15.353 15.467 15.513 15.569 15.633 15.708 15.794 15.891 16.001 16.124 16.260 16.409 16.571 16.746 16.932 17.128 17.332 17.542 17.756 17.972 99999.999 99999.999 22.279 20.778 19.595 18.651 17.894 17.283 16.790 16.393 16.077 15.827 15.634 15.492 15.395 15.341 15.328 15.428 15.470 15.520 15.578 15.645 15.722 15.809 15.906 16.015 16.135 16.266 16.409 16.563 16.728 16.902 17.084 17.272 17.466 17.663 17.863 18.063 22.258 20.760 19.578 18.635 17.878 17.268 16.775 16.379 16.062 15.812 15.618 15.475 15.377 15.321 15.304 15.391 15.429 15.474 15.527 15.588 15.658 15.736 15.823 15.921 16.028 16.145 16.272 16.409 16.556 16.711 16.874 17.044 17.220 17.400 17.583 17.768 22.052 20.576 19.408 18.475 17.725 17.119 16.629 16.234 15.917 15.665 15.467 15.317 15.209 15.137 15.099 15.113 15.129 15.150 15.175 15.205 15.238 15.276 15.318 15.365 15.415 15.470 15.528 15.591 15.657 15.728 15.802 15.879 15.960 16.045 16.132 16.222 21.847 20.393 19.238 18.315 17.572 16.971 16.485 16.092 15.776 15.524 15.325 15.171 15.057 14.978 14.929 14.910 14.918 14.929 14.944 14.962 14.983 15.007 15.034 15.064 15.097 15.133 15.171 15.212 15.255 15.301 15.349 15.399 15.452 15.506 15.562 15.620 21.642 20.209 19.069 18.155 17.420 16.825 16.343 15.953 15.638 15.387 15.187 15.033 14.916 14.832 14.777 14.741 14.744 14.751 14.760 14.772 14.787 14.804 14.824 14.847 14.871 14.898 14.928 14.959 14.992 15.027 15.064 15.102 15.142 15.184 15.227 15.272 21.438 20.027 18.900 17.997 17.268 16.679 16.202 15.815 15.503 15.253 15.054 14.900 14.782 14.696 14.638 14.591 14.592 14.595 14.601 14.610 14.621 14.635 14.651 14.669 14.689 14.711 14.735 14.761 14.789 14.818 14.849 14.882 14.915 14.951 14.987 15.024 21.235 19.845 18.732 17.839 17.118 16.535 16.062 15.680 15.370 15.122 14.925 14.771 14.653 14.566 14.506 14.454 14.452 14.454 14.458 14.465 14.474 14.485 14.499 14.514 14.532 14.551 14.572 14.595 14.619 14.645 14.672 14.701 14.731 14.762 14.795 14.828 21.032 19.664 18.565 17.682 16.969 16.392 15.925 15.546 15.240 14.994 14.798 14.645 14.528 14.441 14.380 14.324 14.322 14.323 14.326 14.331 14.339 14.348 14.360 14.374 14.390 14.407 14.427 14.447 14.470 14.493 14.519 14.545 14.573 14.602 14.632 14.663 20.830 19.484 18.399 17.526 16.821 16.251 15.788 15.414 15.111 14.868 14.674 14.522 14.406 14.319 14.259 14.201 14.199 14.199 14.201 14.205 14.212 14.221 14.232 14.245 14.259 14.276 14.294 14.313 14.334 14.356 14.380 14.405 14.431 14.458 14.487 14.516 99999.999 19.305 18.234 17.371 16.675 16.111 15.653 15.283 14.984 14.744 14.552 14.402 14.287 14.202 14.141 14.084 14.081 14.080 14.082 14.086 14.093 14.101 14.111 14.123 14.137 14.153 14.170 14.188 14.208 14.230 14.253 14.277 14.302 14.328 14.355 14.384 Hg(OH)2,aq Hg(OH)2(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 3 -2.000 1 2.000 2 1.000 20 7.052 6.187 5.484 4.909 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.052 6.187 5.484 4.909 4.435 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.053 6.188 5.485 4.910 4.436 4.039 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.055 6.190 5.487 4.912 4.438 4.041 3.705 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.059 6.194 5.491 4.916 4.441 4.044 3.708 3.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.065 6.200 5.496 4.921 4.446 4.049 3.713 3.424 3.172 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.073 6.208 5.505 4.929 4.454 4.056 3.720 3.431 3.179 2.954 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.085 6.221 5.517 4.941 4.465 4.067 3.730 3.441 3.189 2.964 2.755 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.102 6.238 5.533 4.957 4.480 4.081 3.744 3.455 3.203 2.978 2.770 2.569 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.124 6.260 5.555 4.978 4.500 4.101 3.763 3.473 3.221 2.996 2.789 2.590 2.391 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.153 6.290 5.584 5.005 4.526 4.126 3.787 3.497 3.244 3.020 2.814 2.618 2.422 2.226 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.190 6.328 5.620 5.040 4.560 4.158 3.818 3.527 3.274 3.050 2.846 2.652 2.462 2.267 2.084 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.218 6.357 5.649 5.067 4.585 4.183 3.842 3.551 3.297 3.073 2.870 2.678 2.492 2.301 2.088 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.258 6.398 5.688 5.105 4.622 4.218 3.876 3.584 3.330 3.106 2.904 2.715 2.534 2.350 2.132 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.298 6.438 5.728 5.143 4.658 4.252 3.910 3.616 3.362 3.138 2.937 2.751 2.575 2.398 2.190 3.479 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.337 6.478 5.767 5.180 4.694 4.286 3.942 3.648 3.393 3.170 2.969 2.786 2.614 2.445 2.250 2.714 3.057 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.375 6.518 5.805 5.217 4.729 4.320 3.975 3.680 3.424 3.200 3.001 2.820 2.652 2.490 2.310 2.540 2.669 2.886 3.168 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.413 6.557 5.843 5.253 4.763 4.353 4.007 3.711 3.455 3.231 3.032 2.853 2.688 2.533 2.366 2.476 2.535 2.635 2.787 2.975 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.451 6.595 5.880 5.289 4.797 4.386 4.039 3.742 3.485 3.261 3.062 2.885 2.723 2.574 2.420 2.451 2.478 2.528 2.608 2.720 2.855 2.987 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.487 6.633 5.917 5.324 4.831 4.419 4.070 3.772 3.515 3.290 3.092 2.916 2.757 2.612 2.469 2.445 2.454 2.478 2.521 2.586 2.672 2.772 2.874 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.524 6.671 5.954 5.359 4.865 4.451 4.101 3.802 3.544 3.319 3.121 2.946 2.789 2.648 2.514 2.448 2.447 2.456 2.478 2.514 2.567 2.635 2.712 2.792 2.865 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.560 6.708 5.990 5.394 4.898 4.482 4.131 3.831 3.573 3.348 3.150 2.975 2.820 2.683 2.556 2.458 2.449 2.448 2.457 2.476 2.508 2.551 2.605 2.667 2.732 2.794 2.849 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.595 6.744 6.025 5.428 4.930 4.513 4.161 3.860 3.601 3.376 3.178 3.004 2.850 2.715 2.593 2.472 2.458 2.450 2.450 2.458 2.475 2.501 2.537 2.582 2.632 2.686 2.740 2.791 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.630 6.781 6.061 5.462 4.963 4.544 4.191 3.889 3.630 3.404 3.206 3.032 2.879 2.745 2.628 2.488 2.471 2.458 2.452 2.451 2.458 2.473 2.495 2.526 2.563 2.605 2.651 2.698 2.745 2.791 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.665 6.816 6.096 5.495 4.995 4.575 4.220 3.918 3.657 3.431 3.233 3.059 2.907 2.774 2.659 2.507 2.486 2.470 2.459 2.453 2.453 2.459 2.471 2.490 2.516 2.547 2.584 2.623 2.665 2.709 2.753 99999.999 99999.999 99999.999 99999.999 99999.999 7.699 6.852 6.130 5.528 5.026 4.605 4.249 3.946 3.685 3.458 3.260 3.086 2.934 2.802 2.688 2.526 2.503 2.484 2.470 2.459 2.454 2.454 2.459 2.470 2.486 2.508 2.535 2.567 2.602 2.640 2.680 2.723 2.768 99999.999 99999.999 99999.999 7.733 6.887 6.164 5.561 5.057 4.635 4.278 3.974 3.712 3.485 3.286 3.112 2.960 2.828 2.715 2.546 2.522 2.501 2.483 2.470 2.460 2.455 2.455 2.459 2.469 2.483 2.502 2.526 2.554 2.585 2.620 2.658 2.699 2.743 99999.999 99999.999 7.767 6.922 6.198 5.593 5.088 4.665 4.306 4.001 3.739 3.511 3.312 3.138 2.986 2.853 2.740 2.567 2.541 2.518 2.499 2.483 2.470 2.462 2.457 2.456 2.460 2.468 2.481 2.498 2.519 2.544 2.572 2.604 2.640 2.679 2.722 2.768 7.800 6.956 6.232 5.626 5.119 4.694 4.334 4.028 3.765 3.537 3.338 3.163 3.011 2.878 2.764 2.588 2.561 2.537 2.516 2.498 2.483 2.471 2.463 2.459 2.458 2.461 2.468 2.479 2.494 2.513 2.536 2.562 2.592 2.626 2.663 2.704 8.112 7.282 6.550 5.931 5.410 4.972 4.601 4.286 4.015 3.781 3.578 3.401 3.246 3.110 2.992 2.802 2.770 2.740 2.712 2.686 2.662 2.639 2.618 2.598 2.581 2.564 2.549 2.536 2.525 2.515 2.506 2.500 2.495 2.492 2.490 2.491 8.396 7.582 6.843 6.212 5.679 5.229 4.847 4.522 4.243 4.003 3.796 3.615 3.457 3.319 3.199 3.003 2.970 2.938 2.909 2.881 2.854 2.829 2.806 2.783 2.762 2.742 2.723 2.705 2.688 2.672 2.657 2.643 2.629 2.617 2.605 2.594 8.659 7.861 7.117 6.476 5.930 5.468 5.075 4.741 4.455 4.208 3.996 3.811 3.650 3.510 3.387 3.188 3.154 3.122 3.091 3.063 3.035 3.010 2.985 2.962 2.940 2.919 2.899 2.880 2.861 2.844 2.827 2.811 2.796 2.781 2.767 2.754 8.904 8.123 7.376 6.724 6.167 5.694 5.291 4.948 4.653 4.401 4.182 3.993 3.829 3.686 3.562 3.358 3.324 3.291 3.260 3.231 3.203 3.177 3.152 3.129 3.106 3.085 3.064 3.045 3.027 3.009 2.992 2.976 2.960 2.945 2.930 2.916 9.135 8.373 7.622 6.961 6.393 5.909 5.496 5.144 4.842 4.582 4.359 4.165 3.997 3.851 3.724 3.517 3.482 3.449 3.417 3.388 3.360 3.333 3.308 3.284 3.261 3.240 3.219 3.199 3.181 3.163 3.146 3.130 3.114 3.099 3.085 3.071 9.355 8.611 7.857 7.187 6.610 6.115 5.693 5.332 5.022 4.756 4.526 4.328 4.156 4.007 3.877 3.666 3.630 3.597 3.565 3.534 3.506 3.479 3.453 3.429 3.406 3.384 3.363 3.344 3.325 3.307 3.290 3.274 3.258 3.243 3.229 3.215 9.565 8.841 8.084 7.406 6.818 6.314 5.883 5.513 5.195 4.922 4.687 4.484 4.308 4.155 4.022 3.807 3.770 3.736 3.704 3.673 3.644 3.616 3.590 3.565 3.542 3.520 3.499 3.479 3.460 3.442 3.425 3.408 3.393 3.378 3.363 3.350 99999.999 9.064 8.304 7.618 7.021 6.507 6.066 5.688 5.363 5.083 4.842 4.633 4.453 4.297 4.161 3.941 3.904 3.869 3.835 3.804 3.774 3.746 3.720 3.694 3.671 3.648 3.627 3.606 3.587 3.569 3.551 3.535 3.519 3.504 3.490 3.476 HgS(HS)- HgS(HS)(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 3 -1.000 1 1.000 20 2.000 6 -36.414 -33.534 -31.183 -29.235 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -36.414 -33.534 -31.183 -29.235 -27.606 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -36.413 -33.533 -31.182 -29.234 -27.605 -26.237 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-17.620 -17.615 -17.613 -17.615 -35.338 -32.438 -30.096 -28.155 -26.521 -25.133 -23.944 -22.920 -22.034 -21.266 -20.599 -20.020 -19.517 -19.080 -18.702 -18.093 -17.992 -17.898 -17.809 -17.727 -17.650 -17.578 -17.512 -17.451 -17.395 -17.344 -17.298 -17.256 -17.219 -17.186 -17.157 -17.132 -17.112 -17.095 -17.082 -17.072 -35.240 -32.313 -29.961 -28.015 -26.379 -24.988 -23.796 -22.766 -21.874 -21.097 -20.419 -19.828 -19.311 -18.859 -18.464 -17.821 -17.712 -17.610 -17.514 -17.423 -17.338 -17.258 -17.184 -17.114 -17.049 -16.989 -16.934 -16.883 -16.836 -16.793 -16.755 -16.720 -16.690 -16.663 -16.640 -16.620 -35.163 -32.205 -29.843 -27.892 -26.252 -24.858 -23.661 -22.628 -21.730 -20.946 -20.260 -19.658 -19.130 -18.665 -18.257 -17.585 -17.470 -17.362 -17.259 -17.162 -17.070 -16.984 -16.902 -16.826 -16.754 -16.686 -16.623 -16.565 -16.510 -16.460 -16.414 -16.371 -16.333 -16.298 -16.266 -16.239 -35.105 -32.113 -29.738 -27.781 -26.137 -24.739 -23.540 -22.502 -21.599 -20.810 -20.116 -19.506 -18.968 -18.494 -18.074 -17.377 -17.257 -17.144 -17.036 -16.933 -16.836 -16.744 -16.657 -16.575 -16.497 -16.424 -16.355 -16.290 -16.229 -16.173 -16.120 -16.071 -16.026 -15.984 -15.946 -15.912 -35.063 -32.033 -29.645 -27.681 -26.032 -24.631 -23.428 -22.387 -21.480 -20.685 -19.986 -19.369 -18.823 -18.340 -17.911 -17.193 -17.069 -16.951 -16.838 -16.731 -16.629 -16.533 -16.441 -16.354 -16.271 -16.193 -16.119 -16.049 -15.983 -15.922 -15.864 -15.810 -15.759 -15.712 -15.669 -15.629 99999.999 -31.964 -29.561 -27.590 -25.937 -24.532 -23.326 -22.281 -21.370 -20.571 -19.867 -19.244 -18.692 -18.201 -17.763 -17.028 -16.900 -16.778 -16.662 -16.551 -16.445 -16.344 -16.248 -16.157 -16.070 -15.988 -15.910 -15.836 -15.766 -15.700 -15.638 -15.579 -15.524 -15.473 -15.425 -15.381 HgS(HS)- HgS(HS)(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 4 1.000 1 -4.000 31 1.000 20 2.000 4 267.783 243.100 221.696 202.993 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 267.783 243.100 221.696 202.993 186.492 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 267.788 243.104 221.700 202.996 186.495 171.799 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 267.796 243.112 221.707 203.003 186.502 171.806 158.597 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 267.809 243.125 221.719 203.015 186.514 171.817 158.608 146.634 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 267.831 243.145 221.738 203.034 186.532 171.835 158.627 146.652 135.703 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 267.863 243.175 221.767 203.061 186.559 171.862 158.654 146.680 135.733 125.628 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 267.909 243.219 221.809 203.101 186.598 171.900 158.692 146.720 135.775 125.676 116.250 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 267.972 243.279 221.866 203.156 186.651 171.953 158.746 146.775 135.834 125.740 116.326 107.417 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 268.057 243.359 221.942 203.229 186.722 172.023 158.817 146.849 135.911 125.825 116.426 107.543 98.974 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 268.167 243.463 222.041 203.325 186.815 172.115 158.909 146.943 136.011 125.935 116.553 107.703 99.198 90.727 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 268.308 243.597 222.169 203.447 186.934 172.232 159.027 147.064 136.139 126.074 116.713 107.902 99.469 91.160 82.207 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 268.417 243.701 222.267 203.541 187.025 172.322 159.117 147.157 136.236 126.180 116.834 108.050 99.666 91.460 82.859 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 268.573 243.848 222.407 203.675 187.156 172.451 159.246 147.289 136.374 126.329 117.003 108.254 99.934 91.851 83.577 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 268.728 243.994 222.545 203.808 187.285 172.578 159.373 147.418 136.509 126.475 117.167 108.449 100.185 92.205 84.168 66.027 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 268.881 244.139 222.683 203.940 187.412 172.703 159.498 147.546 136.642 126.617 117.326 108.637 100.421 92.529 84.680 69.772 65.426 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 269.033 244.283 222.819 204.070 187.538 172.827 159.622 147.672 136.773 126.757 117.481 108.817 100.644 92.828 85.134 70.948 67.619 63.818 59.194 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 269.184 244.425 222.954 204.199 187.664 172.950 159.744 147.796 136.901 126.893 117.631 108.990 100.856 93.105 85.541 71.687 68.680 65.494 62.006 58.061 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 269.334 244.566 223.088 204.328 187.787 173.071 159.865 147.918 137.028 127.027 117.777 109.157 101.056 93.363 85.908 72.247 69.401 66.473 63.410 60.142 56.591 52.711 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 269.482 244.706 223.221 204.454 187.910 173.192 159.985 148.039 137.152 127.159 117.920 109.318 101.248 93.603 86.241 72.708 69.961 67.176 64.326 61.374 58.277 54.996 51.510 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 269.630 244.846 223.353 204.580 188.032 173.311 160.103 148.159 137.275 127.288 118.060 109.474 101.430 93.827 86.544 73.106 70.427 67.735 65.012 62.238 59.387 56.433 53.357 50.149 46.822 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 269.776 244.984 223.483 204.705 188.152 173.428 160.220 148.276 137.396 127.415 118.196 109.625 101.604 94.038 86.820 73.459 70.830 68.204 65.567 62.907 60.206 57.449 54.621 51.710 48.715 45.648 42.530 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 269.922 245.121 223.613 204.829 188.272 173.545 160.336 148.393 137.516 127.539 118.329 109.772 101.771 94.236 87.072 73.778 71.189 68.612 66.038 63.457 60.858 58.230 55.561 52.844 50.073 47.251 44.387 41.499 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 270.066 245.257 223.742 204.952 188.390 173.661 160.450 148.508 137.633 127.662 118.460 109.914 101.930 94.422 87.303 74.072 71.515 68.977 66.450 63.928 61.403 58.865 56.307 53.722 51.106 48.458 45.781 43.083 40.379 37.685 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 270.210 245.392 223.869 205.074 188.508 173.776 160.564 148.622 137.750 127.783 118.588 110.053 102.084 94.599 87.516 74.344 71.814 69.307 66.819 64.343 61.873 59.402 56.925 54.436 51.931 49.408 46.869 44.317 41.760 39.209 36.677 99999.999 99999.999 99999.999 99999.999 99999.999 270.352 245.526 223.996 205.195 188.624 173.889 160.676 148.735 137.864 127.902 118.713 110.188 102.233 94.766 87.713 74.599 72.091 69.611 67.154 64.715 62.289 59.870 57.455 55.038 52.616 50.187 47.750 45.309 42.867 40.432 38.011 35.616 33.256 99999.999 99999.999 99999.999 270.494 245.659 224.122 205.315 188.740 174.002 160.787 148.846 137.978 128.019 118.836 110.320 102.376 94.926 87.896 74.839 72.351 69.893 67.463 65.054 62.664 60.287 57.920 55.559 53.201 50.844 48.487 46.132 43.780 41.437 39.108 36.800 34.522 32.282 99999.999 99999.999 270.635 245.792 224.247 205.434 188.855 174.114 160.898 148.957 138.090 128.135 118.958 110.449 102.516 95.080 88.070 75.067 72.596 70.157 67.749 65.366 63.006 60.663 58.335 56.019 53.712 51.412 49.119 46.831 44.552 42.283 40.029 37.794 35.586 33.411 31.274 29.182 270.775 245.923 224.371 205.552 188.969 174.225 161.007 149.066 138.201 128.249 119.077 110.575 102.652 95.229 88.235 75.284 72.827 70.406 68.017 65.657 63.321 61.007 58.712 56.433 54.168 51.914 49.671 47.439 45.217 43.009 40.816 38.644 36.495 34.375 32.290 30.244 272.130 247.196 225.571 206.693 190.064 175.288 162.051 150.104 139.248 129.318 120.184 111.736 103.883 96.551 89.672 77.058 74.692 72.371 70.093 67.856 65.657 63.495 61.367 59.271 57.206 55.171 53.163 51.182 49.227 47.297 45.392 43.511 41.654 39.821 38.012 36.227 273.418 248.402 226.706 207.770 191.095 176.284 163.023 151.064 140.206 130.286 121.172 112.756 104.946 97.667 90.855 78.420 76.099 73.826 71.600 69.418 67.279 65.180 63.120 61.097 59.109 57.155 55.233 53.341 51.480 49.648 47.843 46.065 44.313 42.586 40.884 39.206 274.653 249.555 227.789 208.794 192.073 177.226 163.939 151.963 141.097 131.178 122.075 113.677 105.894 98.650 91.881 79.559 77.264 75.020 72.825 70.676 68.571 66.509 64.487 62.504 60.558 58.648 56.772 54.929 53.118 51.337 49.585 47.862 46.165 44.495 42.851 41.231 275.844 250.664 228.829 209.777 193.009 178.126 164.811 152.815 141.936 132.014 122.913 114.525 106.759 99.538 92.799 80.552 78.276 76.051 73.876 71.748 69.666 67.627 65.630 63.673 61.754 59.872 58.026 56.213 54.433 52.684 50.965 49.276 47.614 45.980 44.371 42.788 277.002 251.739 229.833 210.724 193.910 178.989 165.645 153.627 142.734 132.803 123.701 115.317 107.561 100.355 93.636 81.442 79.179 76.967 74.807 72.694 70.627 68.605 66.625 64.686 62.785 60.922 59.096 57.303 55.544 53.817 52.121 50.455 48.817 47.207 45.623 44.065 278.131 252.784 230.808 211.642 194.782 179.823 166.449 154.408 143.498 133.555 124.448 116.064 108.313 101.116 94.410 82.254 80.000 77.798 75.648 73.546 71.490 69.480 67.512 65.586 63.699 61.850 60.037 58.260 56.516 54.804 53.124 51.474 49.853 48.260 46.693 45.153 279.237 253.805 231.757 212.534 195.628 180.632 167.227 155.161 144.233 134.277 125.161 116.774 109.023 101.832 95.134 83.005 80.757 78.563 76.420 74.326 72.279 70.277 68.318 66.401 64.524 62.685 60.883 59.116 57.383 55.683 54.015 52.377 50.768 49.187 47.633 46.106 99999.999 254.806 232.685 213.405 196.452 181.418 167.982 155.892 144.943 134.973 125.847 117.453 109.701 102.511 95.818 83.707 81.464 79.275 77.137 75.049 73.008 71.012 69.060 67.150 65.280 63.448 61.654 59.895 58.170 56.479 54.819 53.190 51.590 50.018 48.474 46.956 Hg(HS)2,aq Hg(HS)2(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 2 1.000 20 2.000 6 -42.856 -39.665 -37.085 -34.964 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -42.856 -39.665 -37.085 -34.964 -33.206 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -42.854 -39.664 -37.083 -34.963 -33.204 -31.742 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -42.851 -39.661 -37.081 -34.960 -33.202 -31.740 -30.527 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -42.845 -39.655 -37.076 -34.955 -33.197 -31.735 -30.522 -29.523 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -42.837 -39.647 -37.068 -34.947 -33.189 -31.727 -30.514 -29.515 -28.707 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -42.824 -39.635 -37.056 -34.936 -33.178 -31.716 -30.502 -29.503 -28.694 -28.063 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -42.806 -39.618 -37.040 -34.920 -33.162 -31.700 -30.486 -29.485 -28.675 -28.042 -27.588 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -42.780 -39.594 -37.017 -34.898 -33.140 -31.678 -30.463 -29.461 -28.649 -28.012 -27.553 -27.288 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -42.747 -39.562 -36.986 -34.868 -33.111 -31.649 -30.433 -29.429 -28.614 -27.973 -27.506 -27.227 -27.174 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -42.703 -39.521 -36.947 -34.830 -33.073 -31.610 -30.394 -29.388 -28.569 -27.923 -27.446 -27.150 -27.067 -27.275 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -42.648 -39.468 -36.896 -34.781 -33.025 -31.562 -30.344 -29.336 -28.513 -27.859 -27.371 -27.055 -26.936 -27.078 -27.720 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -42.606 -39.427 -36.857 -34.743 -32.988 -31.525 -30.306 -29.296 -28.470 -27.811 -27.314 -26.984 -26.840 -26.936 -27.477 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -42.546 -39.370 -36.802 -34.690 -32.935 -31.472 -30.252 -29.239 -28.409 -27.744 -27.235 -26.886 -26.709 -26.747 -27.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -42.487 -39.314 -36.748 -34.637 -32.883 -31.420 -30.198 -29.184 -28.349 -27.678 -27.159 -26.792 -26.586 -26.573 -26.888 -27.016 99999.999 99999.999 99999.999 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-38.794 -36.246 -34.149 -32.403 -30.941 -29.711 -28.679 -27.816 -27.101 -26.515 -26.044 -25.676 -25.403 -25.220 -25.064 -25.077 -25.104 -25.147 -25.205 -25.279 -25.371 -25.482 -25.612 -25.763 -25.936 -26.130 -26.346 -26.580 -26.830 -27.089 99999.999 99999.999 99999.999 99999.999 99999.999 -41.903 -38.746 -36.200 -34.104 -32.359 -30.896 -29.666 -28.633 -27.768 -27.050 -26.460 -25.983 -25.608 -25.325 -25.128 -24.957 -24.963 -24.983 -25.017 -25.065 -25.128 -25.206 -25.300 -25.411 -25.540 -25.686 -25.849 -26.029 -26.225 -26.433 -26.652 -26.875 -27.099 99999.999 99999.999 99999.999 -41.855 -38.699 -36.154 -34.059 -32.315 -30.852 -29.622 -28.588 -27.721 -26.999 -26.405 -25.924 -25.543 -25.252 -25.043 -24.855 -24.855 -24.868 -24.894 -24.933 -24.986 -25.053 -25.135 -25.231 -25.342 -25.468 -25.608 -25.762 -25.930 -26.108 -26.295 -26.487 -26.682 -26.875 99999.999 99999.999 -41.808 -38.652 -36.108 -34.015 -32.271 -30.809 -29.578 -28.543 -27.674 -26.950 -26.352 -25.867 -25.480 -25.182 -24.964 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Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 2.000 1 -4.000 31 1.000 20 2.000 4 261.342 236.969 215.793 197.263 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 261.342 236.969 215.794 197.263 180.892 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 261.347 236.973 215.798 197.268 180.896 166.293 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 261.356 236.982 215.806 197.276 180.904 166.301 153.156 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 261.372 236.997 215.821 197.289 180.917 166.314 153.169 141.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 261.397 237.021 215.844 197.311 180.939 166.335 153.190 141.252 130.312 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 261.434 237.057 215.878 197.344 180.970 166.367 153.222 141.285 130.347 120.225 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 261.488 237.108 215.927 197.391 181.016 166.412 153.268 141.332 130.397 120.280 110.806 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 261.563 237.179 215.994 197.456 181.079 166.474 153.330 141.396 130.465 120.355 110.894 101.897 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 261.662 237.273 216.084 197.542 181.163 166.557 153.414 141.482 130.555 120.455 111.010 102.044 93.332 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 261.791 237.396 216.201 197.654 181.272 166.665 153.522 141.593 130.673 120.583 111.158 102.230 93.593 84.891 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 261.956 237.553 216.350 197.798 181.412 166.803 153.660 141.735 130.822 120.745 111.345 102.460 93.908 85.399 76.016 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 262.084 237.675 216.466 197.909 181.520 166.909 153.767 141.844 130.936 120.869 111.486 102.632 94.137 85.749 76.802 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 262.267 237.848 216.631 198.067 181.673 167.060 153.918 141.998 131.097 121.043 111.683 102.870 94.448 86.204 77.651 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 262.447 238.020 216.794 198.224 181.825 167.209 154.067 142.150 131.255 121.213 111.873 103.097 94.739 86.615 78.342 58.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 262.627 238.190 216.956 198.379 181.976 167.357 154.214 142.300 131.411 121.380 112.059 103.314 95.012 86.991 78.937 63.177 58.239 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 262.805 238.359 217.117 198.533 182.124 167.503 154.360 142.447 131.564 121.543 112.239 103.524 95.271 87.337 79.462 64.667 61.046 56.809 51.539 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 262.981 238.527 217.276 198.685 182.272 167.648 154.504 142.593 131.715 121.702 112.414 103.725 95.517 87.658 79.932 65.586 62.382 58.935 55.092 50.672 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 263.156 238.693 217.434 198.836 182.418 167.791 154.646 142.737 131.863 121.859 112.585 103.920 95.750 87.956 80.357 66.273 63.276 60.160 56.859 53.288 49.356 45.018 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 263.330 238.858 217.590 198.986 182.562 167.932 154.787 142.879 132.009 122.013 112.752 104.107 95.971 88.234 80.741 66.833 63.962 61.029 58.000 54.829 51.465 47.863 44.004 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 263.503 239.021 217.745 199.134 182.706 168.072 154.926 143.019 132.153 122.164 112.914 104.289 96.183 88.495 81.092 67.313 64.528 61.713 58.845 55.900 52.846 49.653 46.299 42.776 39.104 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 263.674 239.183 217.899 199.281 182.848 168.211 155.063 143.158 132.295 122.312 113.074 104.465 96.386 88.739 81.411 67.736 65.015 62.283 59.524 56.722 53.858 50.912 47.866 44.709 41.442 38.080 34.652 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 263.844 239.345 218.052 199.427 182.989 168.349 155.200 143.295 132.435 122.458 113.229 104.636 96.580 88.969 81.703 68.118 65.447 62.776 60.096 57.394 54.658 51.873 49.028 46.112 43.120 40.057 36.936 33.779 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 264.013 239.505 218.204 199.572 183.129 168.485 155.335 143.430 132.573 122.602 113.382 104.802 96.766 89.186 81.972 68.468 65.836 63.214 60.593 57.966 55.322 52.651 49.944 47.193 44.393 41.545 38.652 35.727 32.787 29.851 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 264.181 239.663 218.354 199.716 183.267 168.620 155.468 143.564 132.710 122.743 113.532 104.964 96.945 89.392 82.219 68.791 66.192 63.609 61.037 58.466 55.892 53.305 50.699 48.068 45.406 42.713 39.991 37.244 34.483 31.722 28.976 99999.999 99999.999 99999.999 99999.999 99999.999 264.347 239.821 218.504 199.859 183.405 168.754 155.600 143.697 132.845 122.883 113.678 105.122 97.119 89.587 82.449 69.094 66.522 63.972 61.438 58.914 56.394 53.872 51.343 48.801 46.243 43.667 41.072 38.462 35.843 33.223 30.613 28.026 25.474 99999.999 99999.999 99999.999 264.513 239.978 218.652 200.000 183.541 168.887 155.731 143.828 132.978 123.020 113.823 105.276 97.286 89.774 82.663 69.378 66.830 64.307 61.806 59.319 56.844 54.374 51.905 49.434 46.956 44.469 41.973 39.470 36.962 34.456 31.959 29.480 27.029 24.616 99999.999 99999.999 264.677 240.133 218.799 200.141 183.676 169.019 155.861 143.957 133.109 123.156 113.965 105.426 97.449 89.953 82.866 69.647 67.119 64.621 62.146 59.692 57.253 54.826 52.406 49.991 47.576 45.160 42.743 40.324 37.906 35.492 33.087 30.699 28.334 26.001 23.708 21.461 264.840 240.288 218.946 200.280 183.811 169.150 155.990 144.086 133.239 123.290 114.104 105.574 97.608 90.127 83.060 69.903 67.393 64.915 62.465 60.038 57.630 55.238 52.859 50.489 48.126 45.768 43.414 41.063 38.717 36.378 34.051 31.739 29.448 27.185 24.955 22.766 266.422 241.783 220.359 201.626 185.104 170.404 157.221 145.309 134.470 124.545 115.402 106.932 99.048 91.672 84.740 71.985 69.584 67.227 64.912 62.634 60.393 58.186 56.011 53.866 51.749 49.659 47.595 45.555 43.539 41.546 39.575 37.626 35.700 33.795 31.913 30.055 267.923 243.200 221.697 202.897 186.321 171.580 158.369 146.440 135.598 125.683 116.562 108.128 100.291 92.977 86.122 73.577 71.230 68.930 66.675 64.464 62.294 60.163 58.069 56.011 53.986 51.994 50.033 48.102 46.199 44.324 42.475 40.652 38.853 37.079 35.329 33.602 269.360 244.554 222.973 204.107 187.477 172.694 159.451 147.502 136.650 126.734 117.623 109.209 101.403 94.128 87.323 74.907 72.592 70.325 68.107 65.934 63.804 61.716 59.667 57.656 55.682 53.742 51.836 49.961 48.118 46.304 44.518 42.760 41.029 39.323 37.641 35.984 270.746 245.857 224.199 205.268 188.584 173.758 160.481 148.508 137.641 127.719 118.610 110.207 102.419 95.170 88.397 76.069 73.774 71.530 69.335 67.186 65.083 63.022 61.002 59.021 57.078 55.171 53.299 51.460 49.653 47.877 46.131 44.412 42.722 41.058 39.419 37.805 272.090 247.118 225.384 206.388 189.650 174.780 161.469 149.470 138.584 128.651 119.539 111.140 103.362 96.129 89.378 77.110 74.829 72.601 70.422 68.291 66.205 64.163 62.163 60.203 58.281 56.397 54.548 52.733 50.950 49.200 47.479 45.788 44.125 42.489 40.879 39.294 273.402 248.344 226.533 207.472 190.682 175.768 162.421 150.394 139.487 129.540 120.421 112.020 104.247 97.024 90.288 78.061 75.791 73.574 71.406 69.287 67.214 65.186 63.200 61.254 59.348 57.479 55.646 53.848 52.083 50.351 48.649 46.976 45.333 43.716 42.127 40.562 274.685 249.542 227.653 208.528 191.683 176.726 163.343 151.287 140.358 130.394 121.265 112.859 105.085 97.867 91.140 78.942 76.679 74.470 72.311 70.200 68.137 66.118 64.142 62.207 60.312 58.455 56.634 54.848 53.096 51.376 49.687 48.029 46.399 44.797 43.222 41.673 99999.999 250.716 228.747 209.557 192.660 177.658 164.239 152.153 141.200 131.219 122.076 113.662 105.885 98.668 91.945 79.766 77.509 75.305 73.152 71.048 68.991 66.979 65.010 63.083 61.196 59.347 57.535 55.758 54.016 52.305 50.627 48.978 47.359 45.767 44.203 42.664 KCl,aq KCl(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 2 1.000 12 1.000 3 2.840 2.535 2.250 1.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.840 2.535 2.250 1.983 1.731 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.840 2.536 2.250 1.983 1.732 1.490 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.841 2.536 2.251 1.984 1.732 1.490 1.255 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.842 2.537 2.252 1.985 1.733 1.491 1.256 1.021 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.843 2.539 2.253 1.986 1.734 1.493 1.257 1.023 0.785 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.846 2.541 2.255 1.988 1.736 1.495 1.260 1.026 0.788 0.540 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.849 2.543 2.258 1.991 1.739 1.498 1.263 1.030 0.793 0.546 0.278 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.853 2.547 2.262 1.995 1.744 1.503 1.268 1.035 0.799 0.554 0.289 -0.011 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.859 2.553 2.267 2.000 1.749 1.509 1.275 1.043 0.808 0.565 0.303 0.009 -0.344 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.866 2.560 2.273 2.007 1.756 1.516 1.283 1.052 0.819 0.578 0.321 0.035 -0.304 -0.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.875 2.568 2.282 2.015 1.765 1.525 1.293 1.064 0.833 0.596 0.343 0.065 -0.257 -0.666 -1.320 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.882 2.575 2.288 2.022 1.771 1.533 1.301 1.073 0.844 0.608 0.360 0.088 -0.224 -0.609 -1.182 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.892 2.584 2.297 2.031 1.781 1.543 1.312 1.086 0.859 0.626 0.383 0.119 -0.179 -0.537 -1.036 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.901 2.593 2.306 2.040 1.790 1.553 1.323 1.098 0.873 0.644 0.405 0.148 -0.137 -0.473 -0.919 -2.710 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.910 2.601 2.314 2.048 1.799 1.562 1.334 1.110 0.887 0.660 0.425 0.176 -0.099 -0.415 -0.820 -1.784 -2.353 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.918 2.610 2.323 2.057 1.808 1.572 1.344 1.121 0.900 0.676 0.445 0.202 -0.063 -0.362 -0.734 -1.514 -1.827 -2.269 -2.924 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.927 2.618 2.331 2.065 1.816 1.581 1.354 1.133 0.913 0.692 0.464 0.226 -0.030 -0.315 -0.658 -1.353 -1.586 -1.875 -2.250 -2.747 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.935 2.625 2.339 2.073 1.825 1.590 1.364 1.144 0.926 0.707 0.482 0.249 0.001 -0.271 -0.590 -1.236 -1.429 -1.655 -1.924 -2.256 -2.666 -3.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.942 2.633 2.346 2.081 1.833 1.598 1.374 1.154 0.938 0.721 0.500 0.271 0.030 -0.231 -0.530 -1.142 -1.312 -1.502 -1.720 -1.974 -2.274 -2.628 -3.042 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.950 2.640 2.354 2.088 1.841 1.607 1.383 1.165 0.950 0.735 0.517 0.292 0.057 -0.194 -0.476 -1.063 -1.217 -1.385 -1.572 -1.783 -2.023 -2.298 -2.612 -2.968 -3.361 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.957 2.648 2.361 2.096 1.849 1.615 1.392 1.175 0.962 0.749 0.533 0.312 0.083 -0.160 -0.428 -0.995 -1.136 -1.289 -1.455 -1.639 -1.842 -2.069 -2.324 -2.608 -2.921 -3.261 -3.621 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.964 2.655 2.368 2.103 1.856 1.623 1.401 1.185 0.973 0.762 0.549 0.331 0.107 -0.129 -0.385 -0.934 -1.066 -1.207 -1.359 -1.523 -1.702 -1.898 -2.114 -2.351 -2.611 -2.891 -3.191 -3.505 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.970 2.661 2.375 2.110 1.864 1.631 1.410 1.195 0.984 0.774 0.564 0.350 0.129 -0.101 -0.346 -0.880 -1.004 -1.136 -1.276 -1.426 -1.588 -1.762 -1.952 -2.157 -2.379 -2.618 -2.872 -3.140 -3.419 -3.703 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.976 2.668 2.382 2.117 1.871 1.639 1.418 1.204 0.995 0.787 0.578 0.367 0.150 -0.074 -0.311 -0.830 -0.948 -1.072 -1.204 -1.343 -1.491 -1.650 -1.820 -2.002 -2.197 -2.406 -2.627 -2.860 -3.102 -3.352 -3.605 99999.999 99999.999 99999.999 99999.999 99999.999 2.982 2.674 2.388 2.124 1.878 1.647 1.426 1.213 1.005 0.799 0.592 0.384 0.171 -0.049 -0.280 -0.784 -0.897 -1.015 -1.139 -1.269 -1.407 -1.553 -1.709 -1.874 -2.049 -2.235 -2.431 -2.638 -2.852 -3.074 -3.299 -3.528 -3.755 99999.999 99999.999 99999.999 2.988 2.680 2.394 2.131 1.885 1.654 1.434 1.222 1.015 0.811 0.606 0.400 0.190 -0.026 -0.251 -0.742 -0.850 -0.963 -1.080 -1.204 -1.333 -1.469 -1.613 -1.765 -1.925 -2.093 -2.271 -2.456 -2.649 -2.848 -3.051 -3.257 -3.464 -3.670 99999.999 99999.999 2.994 2.686 2.401 2.137 1.892 1.661 1.442 1.231 1.025 0.822 0.619 0.415 0.208 -0.004 -0.224 -0.702 -0.806 -0.914 -1.027 -1.144 -1.266 -1.395 -1.529 -1.670 -1.818 -1.973 -2.135 -2.304 -2.479 -2.660 -2.845 -3.033 -3.223 -3.412 -3.600 -3.784 2.999 2.692 2.407 2.143 1.898 1.669 1.450 1.240 1.035 0.833 0.632 0.430 0.226 0.017 -0.199 -0.665 -0.765 -0.870 -0.977 -1.089 -1.206 -1.327 -1.454 -1.586 -1.724 -1.868 -2.018 -2.174 -2.335 -2.501 -2.671 -2.844 -3.019 -3.194 -3.368 -3.541 3.040 2.741 2.459 2.199 1.958 1.732 1.519 1.317 1.121 0.931 0.745 0.560 0.376 0.191 0.005 -0.378 -0.457 -0.537 -0.619 -0.701 -0.786 -0.871 -0.959 -1.048 -1.138 -1.231 -1.325 -1.421 -1.519 -1.618 -1.719 -1.821 -1.924 -2.028 -2.133 -2.239 3.064 2.776 2.499 2.243 2.005 1.784 1.576 1.380 1.192 1.011 0.835 0.662 0.493 0.324 0.157 -0.179 -0.247 -0.315 -0.384 -0.453 -0.523 -0.593 -0.664 -0.736 -0.808 -0.882 -0.956 -1.030 -1.106 -1.182 -1.259 -1.336 -1.415 -1.494 -1.573 -1.653 3.072 2.799 2.530 2.278 2.044 1.827 1.624 1.432 1.250 1.076 0.909 0.746 0.587 0.431 0.277 -0.027 -0.088 -0.148 -0.209 -0.270 -0.331 -0.392 -0.453 -0.515 -0.577 -0.640 -0.702 -0.765 -0.829 -0.893 -0.957 -1.021 -1.086 -1.152 -1.217 -1.283 3.070 2.814 2.552 2.306 2.076 1.863 1.664 1.477 1.300 1.132 0.971 0.816 0.666 0.519 0.376 0.095 0.040 -0.015 -0.070 -0.125 -0.180 -0.235 -0.290 -0.345 -0.400 -0.455 -0.510 -0.566 -0.622 -0.677 -0.733 -0.790 -0.846 -0.903 -0.960 -1.017 3.058 2.821 2.568 2.327 2.102 1.893 1.697 1.514 1.342 1.179 1.024 0.875 0.732 0.593 0.458 0.197 0.145 0.094 0.044 -0.007 -0.057 -0.107 -0.157 -0.208 -0.257 -0.307 -0.357 -0.407 -0.457 -0.508 -0.558 -0.608 -0.659 -0.709 -0.760 -0.811 3.039 2.822 2.578 2.343 2.123 1.917 1.726 1.546 1.378 1.220 1.069 0.926 0.789 0.657 0.528 0.282 0.234 0.187 0.140 0.093 0.046 -0.001 -0.047 -0.093 -0.139 -0.185 -0.231 -0.277 -0.323 -0.369 -0.415 -0.460 -0.506 -0.552 -0.599 -0.645 3.013 2.817 2.584 2.355 2.139 1.937 1.750 1.574 1.410 1.255 1.109 0.970 0.838 0.711 0.589 0.356 0.311 0.266 0.222 0.177 0.134 0.090 0.047 0.004 -0.039 -0.082 -0.125 -0.167 -0.210 -0.252 -0.295 -0.337 -0.380 -0.422 -0.465 -0.507 99999.999 2.809 2.585 2.363 2.152 1.954 1.770 1.598 1.437 1.286 1.143 1.009 0.881 0.759 0.642 0.420 0.377 0.335 0.293 0.251 0.210 0.168 0.128 0.087 0.047 0.007 -0.033 -0.073 -0.113 -0.153 -0.193 -0.232 -0.272 -0.312 -0.352 -0.391 KHSO4,aq KHSO4(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 3 1.000 1 1.000 12 1.000 4 2.039 1.495 0.859 0.195 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.039 1.495 0.859 0.195 -0.476 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.040 1.496 0.859 0.196 -0.475 -1.146 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.042 1.497 0.861 0.197 -0.474 -1.145 -1.817 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.045 1.500 0.863 0.199 -0.472 -1.143 -1.814 -2.490 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.049 1.503 0.866 0.202 -0.468 -1.139 -1.810 -2.486 -3.172 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.055 1.509 0.871 0.207 -0.463 -1.134 -1.805 -2.480 -3.165 -3.871 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.064 1.517 0.878 0.214 -0.456 -1.127 -1.797 -2.471 -3.154 -3.858 -4.601 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.077 1.527 0.888 0.224 -0.447 -1.117 -1.786 -2.459 -3.140 -3.841 -4.578 -5.382 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.094 1.542 0.901 0.236 -0.434 -1.103 -1.772 -2.443 -3.122 -3.819 -4.550 -5.341 -6.242 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.115 1.560 0.918 0.253 -0.418 -1.086 -1.753 -2.422 -3.098 -3.790 -4.513 -5.290 -6.165 -7.231 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.143 1.583 0.940 0.273 -0.397 -1.065 -1.730 -2.397 -3.069 -3.755 -4.467 -5.228 -6.072 -7.072 -8.511 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.164 1.601 0.956 0.289 -0.381 -1.048 -1.713 -2.377 -3.046 -3.728 -4.434 -5.182 -6.005 -6.962 -8.263 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.193 1.626 0.979 0.311 -0.359 -1.025 -1.688 -2.349 -3.015 -3.690 -4.387 -5.120 -5.915 -6.821 -7.990 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.221 1.650 1.002 0.333 -0.337 -1.002 -1.663 -2.323 -2.984 -3.654 -4.342 -5.061 -5.832 -6.695 -7.767 -11.079 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.249 1.674 1.024 0.354 -0.316 -0.980 -1.640 -2.297 -2.955 -3.620 -4.299 -5.005 -5.755 -6.581 -7.575 -9.618 -10.635 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.277 1.697 1.045 0.375 -0.295 -0.959 -1.617 -2.272 -2.926 -3.586 -4.259 -4.953 -5.684 -6.477 -7.406 -9.177 -9.791 -10.615 -11.802 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.303 1.720 1.066 0.395 -0.275 -0.938 -1.595 -2.247 -2.899 -3.554 -4.219 -4.903 -5.617 -6.382 -7.256 -8.905 -9.393 -9.972 -10.691 -11.620 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.329 1.742 1.086 0.415 -0.255 -0.917 -1.573 -2.223 -2.872 -3.523 -4.182 -4.856 -5.555 -6.295 -7.123 -8.701 -9.127 -9.604 -10.153 -10.804 -11.590 -12.536 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.355 1.764 1.106 0.434 -0.235 -0.897 -1.552 -2.200 -2.845 -3.492 -4.146 -4.811 -5.497 -6.216 -7.003 -8.535 -8.922 -9.343 -9.808 -10.332 -10.932 -11.627 -12.427 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.380 1.785 1.126 0.453 -0.217 -0.878 -1.531 -2.177 -2.820 -3.463 -4.111 -4.768 -5.442 -6.143 -6.897 -8.393 -8.754 -9.138 -9.553 -10.007 -10.508 -11.068 -11.696 -12.397 -13.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.404 1.806 1.145 0.472 -0.198 -0.859 -1.511 -2.155 -2.795 -3.435 -4.078 -4.728 -5.391 -6.076 -6.801 -8.269 -8.610 -8.968 -9.349 -9.758 -10.199 -10.679 -11.206 -11.783 -12.411 -13.087 -13.801 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.428 1.826 1.164 0.490 -0.180 -0.840 -1.491 -2.133 -2.771 -3.407 -4.045 -4.689 -5.343 -6.014 -6.716 -8.158 -8.483 -8.822 -9.178 -9.555 -9.956 -10.385 -10.846 -11.343 -11.878 -12.450 -13.056 -13.688 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.451 1.846 1.182 0.507 -0.162 -0.822 -1.471 -2.112 -2.748 -3.381 -4.014 -4.652 -5.298 -5.957 -6.640 -8.057 -8.369 -8.693 -9.030 -9.383 -9.755 -10.148 -10.565 -11.008 -11.479 -11.979 -12.506 -13.056 -13.624 -14.202 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.474 1.865 1.200 0.524 -0.145 -0.804 -1.453 -2.092 -2.725 -3.355 -3.984 -4.617 -5.255 -5.904 -6.571 -7.964 -8.265 -8.576 -8.899 -9.233 -9.583 -9.949 -10.333 -10.738 -11.164 -11.612 -12.081 -12.570 -13.075 -13.592 -14.115 99999.999 99999.999 99999.999 99999.999 99999.999 2.496 1.884 1.217 0.541 -0.128 -0.787 -1.434 -2.072 -2.703 -3.329 -3.955 -4.583 -5.214 -5.854 -6.509 -7.878 -8.170 -8.471 -8.780 -9.100 -9.432 -9.778 -10.137 -10.513 -10.905 -11.315 -11.742 -12.185 -12.641 -13.109 -13.583 -14.061 -14.536 99999.999 99999.999 99999.999 2.518 1.902 1.234 0.558 -0.112 -0.770 -1.416 -2.052 -2.681 -3.305 -3.927 -4.550 -5.176 -5.808 -6.452 -7.798 -8.082 -8.373 -8.673 -8.980 -9.298 -9.626 -9.967 -10.320 -10.687 -11.067 -11.461 -11.868 -12.287 -12.716 -13.152 -13.591 -14.031 -14.467 99999.999 99999.999 2.539 1.921 1.251 0.574 -0.096 -0.753 -1.398 -2.033 -2.660 -3.281 -3.900 -4.518 -5.139 -5.765 -6.400 -7.723 -8.000 -8.283 -8.573 -8.871 -9.176 -9.491 -9.816 -10.151 -10.497 -10.854 -11.223 -11.602 -11.991 -12.389 -12.793 -13.201 -13.611 -14.018 -14.421 -14.817 2.560 1.938 1.267 0.590 -0.080 -0.737 -1.381 -2.014 -2.639 -3.258 -3.873 -4.488 -5.104 -5.723 -6.351 -7.652 -7.923 -8.199 -8.481 -8.770 -9.065 -9.368 -9.680 -10.000 -10.329 -10.668 -11.016 -11.373 -11.738 -12.111 -12.489 -12.872 -13.256 -13.640 -14.020 -14.395 2.744 2.096 1.413 0.731 0.061 -0.592 -1.228 -1.849 -2.456 -3.053 -3.642 -4.224 -4.802 -5.376 -5.949 -7.100 -7.332 -7.566 -7.801 -8.038 -8.277 -8.517 -8.760 -9.005 -9.253 -9.502 -9.754 -10.009 -10.266 -10.524 -10.785 -11.047 -11.311 -11.576 -11.841 -12.106 2.893 2.224 1.531 0.846 0.177 -0.473 -1.102 -1.714 -2.309 -2.889 -3.458 -4.017 -4.568 -5.111 -5.649 -6.712 -6.924 -7.136 -7.348 -7.560 -7.772 -7.985 -8.198 -8.412 -8.627 -8.842 -9.058 -9.274 -9.492 -9.710 -9.928 -10.148 -10.368 -10.588 -10.809 -11.030 3.013 2.327 1.628 0.940 0.271 -0.375 -0.999 -1.603 -2.187 -2.755 -3.309 -3.850 -4.380 -4.900 -5.412 -6.416 -6.614 -6.811 -7.008 -7.205 -7.401 -7.596 -7.792 -7.987 -8.182 -8.378 -8.573 -8.768 -8.963 -9.159 -9.354 -9.550 -9.746 -9.941 -10.137 -10.333 3.110 2.411 1.706 1.017 0.349 -0.294 -0.913 -1.510 -2.086 -2.644 -3.185 -3.711 -4.225 -4.727 -5.219 -6.177 -6.365 -6.553 -6.739 -6.924 -7.109 -7.293 -7.476 -7.658 -7.841 -8.022 -8.204 -8.385 -8.565 -8.746 -8.926 -9.106 -9.286 -9.466 -9.645 -9.825 3.189 2.478 1.769 1.079 0.414 -0.226 -0.841 -1.432 -2.001 -2.550 -3.081 -3.595 -4.095 -4.583 -5.059 -5.981 -6.161 -6.340 -6.518 -6.695 -6.871 -7.046 -7.220 -7.393 -7.566 -7.737 -7.909 -8.079 -8.249 -8.419 -8.588 -8.757 -8.926 -9.094 -9.262 -9.429 3.253 2.532 1.820 1.130 0.466 -0.171 -0.782 -1.367 -1.930 -2.471 -2.993 -3.497 -3.986 -4.461 -4.924 -5.816 -5.990 -6.163 -6.334 -6.504 -6.673 -6.841 -7.007 -7.173 -7.338 -7.502 -7.666 -7.828 -7.990 -8.152 -8.313 -8.473 -8.633 -8.793 -8.952 -9.111 3.304 2.576 1.860 1.170 0.508 -0.125 -0.732 -1.313 -1.869 -2.404 -2.918 -3.414 -3.893 -4.357 -4.808 -5.676 -5.844 -6.012 -6.177 -6.342 -6.505 -6.667 -6.828 -6.988 -7.147 -7.305 -7.462 -7.618 -7.774 -7.929 -8.083 -8.237 -8.390 -8.543 -8.695 -8.847 99999.999 2.610 1.891 1.202 0.542 -0.088 -0.691 -1.267 -1.818 -2.347 -2.854 -3.342 -3.813 -4.268 -4.710 -5.556 -5.720 -5.882 -6.043 -6.203 -6.362 -6.519 -6.675 -6.830 -6.984 -7.136 -7.288 -7.440 -7.590 -7.740 -7.889 -8.037 -8.185 -8.332 -8.479 -8.625 KOH,aq KOH(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 1.000 Ref: Shock07 3 -1.000 1 1.000 12 1.000 2 15.498 14.439 13.601 12.927 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.498 14.439 13.601 12.927 12.378 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.498 14.438 13.601 12.927 12.377 11.926 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.498 14.438 13.600 12.926 12.377 11.925 11.551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.497 14.437 13.599 12.925 12.376 11.925 11.551 11.239 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.495 14.435 13.598 12.924 12.375 11.924 11.550 11.238 10.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.493 14.433 13.596 12.922 12.373 11.922 11.548 11.237 10.976 10.757 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.489 14.430 13.593 12.920 12.371 11.920 11.546 11.235 10.975 10.755 10.570 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.485 14.426 13.590 12.916 12.368 11.917 11.543 11.232 10.972 10.753 10.567 10.408 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.478 14.420 13.584 12.911 12.363 11.912 11.539 11.228 10.968 10.750 10.565 10.406 10.267 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.470 14.413 13.577 12.905 12.357 11.907 11.534 11.223 10.964 10.745 10.561 10.403 10.265 10.141 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.459 14.403 13.569 12.897 12.349 11.899 11.527 11.217 10.957 10.740 10.556 10.399 10.263 10.141 10.019 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.451 14.396 13.562 12.890 12.343 11.894 11.521 11.212 10.953 10.735 10.552 10.395 10.261 10.141 10.023 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.439 14.385 13.552 12.881 12.335 11.885 11.514 11.204 10.946 10.729 10.546 10.390 10.257 10.140 10.027 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.427 14.374 13.542 12.872 12.326 11.877 11.506 11.197 10.939 10.722 10.540 10.385 10.253 10.138 10.030 9.898 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.415 14.363 13.532 12.862 12.317 11.869 11.498 11.189 10.932 10.716 10.534 10.380 10.249 10.136 10.032 9.916 9.884 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.403 14.352 13.521 12.853 12.308 11.860 11.490 11.182 10.925 10.709 10.528 10.375 10.245 10.134 10.033 9.915 9.891 9.863 9.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.390 14.341 13.511 12.843 12.299 11.852 11.482 11.174 10.918 10.702 10.522 10.369 10.241 10.131 10.033 9.913 9.891 9.868 9.843 9.812 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.378 14.330 13.501 12.834 12.290 11.844 11.474 11.167 10.910 10.696 10.515 10.364 10.236 10.127 10.032 9.911 9.889 9.868 9.847 9.824 9.798 9.766 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.366 14.319 13.491 12.824 12.281 11.835 11.466 11.159 10.903 10.689 10.509 10.358 10.231 10.124 10.031 9.907 9.886 9.866 9.846 9.827 9.807 9.785 9.759 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.354 14.308 13.481 12.815 12.272 11.827 11.458 11.152 10.896 10.682 10.503 10.352 10.226 10.119 10.029 9.904 9.883 9.863 9.845 9.827 9.809 9.791 9.772 9.751 9.727 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.341 14.297 13.471 12.805 12.264 11.818 11.450 11.144 10.889 10.675 10.496 10.346 10.220 10.115 10.026 9.900 9.880 9.860 9.842 9.825 9.809 9.793 9.777 9.761 9.743 9.724 9.703 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.329 14.286 13.460 12.796 12.255 11.810 11.442 11.136 10.882 10.668 10.490 10.340 10.215 10.110 10.023 9.896 9.876 9.857 9.839 9.823 9.808 9.793 9.779 9.765 9.750 9.735 9.720 9.704 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.317 14.275 13.450 12.786 12.245 11.801 11.434 11.129 10.874 10.661 10.483 10.334 10.209 10.105 10.019 9.892 9.872 9.853 9.836 9.820 9.806 9.792 9.778 9.766 9.753 9.741 9.729 9.716 9.704 9.692 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.304 14.263 13.440 12.777 12.236 11.793 11.426 11.121 10.867 10.654 10.477 10.328 10.204 10.100 10.014 9.888 9.868 9.850 9.833 9.817 9.803 9.789 9.777 9.765 9.754 9.743 9.733 9.723 9.713 9.704 9.695 99999.999 99999.999 99999.999 99999.999 99999.999 15.292 14.252 13.429 12.767 12.227 11.784 11.418 11.113 10.860 10.647 10.470 10.322 10.198 10.095 10.010 9.883 9.864 9.846 9.829 9.814 9.800 9.787 9.775 9.764 9.754 9.744 9.735 9.726 9.718 9.711 9.704 9.697 9.692 99999.999 99999.999 99999.999 15.280 14.241 13.419 12.757 12.218 11.776 11.410 11.106 10.852 10.640 10.463 10.315 10.192 10.089 10.005 9.879 9.859 9.841 9.825 9.810 9.796 9.784 9.772 9.762 9.752 9.743 9.735 9.728 9.721 9.714 9.709 9.704 9.700 9.697 99999.999 99999.999 15.267 14.230 13.409 12.748 12.209 11.767 11.401 11.098 10.845 10.633 10.457 10.309 10.186 10.084 9.999 9.874 9.855 9.837 9.821 9.806 9.793 9.781 9.769 9.759 9.750 9.742 9.734 9.727 9.721 9.716 9.711 9.707 9.704 9.702 9.701 9.701 15.255 14.218 13.398 12.738 12.200 11.758 11.393 11.090 10.837 10.626 10.450 10.303 10.180 10.078 9.994 9.869 9.850 9.833 9.817 9.802 9.789 9.777 9.766 9.756 9.748 9.740 9.733 9.726 9.721 9.716 9.712 9.709 9.707 9.706 9.705 9.706 15.130 14.105 13.293 12.640 12.108 11.671 11.311 11.011 10.763 10.555 10.382 10.238 10.118 10.019 9.938 9.819 9.802 9.785 9.771 9.758 9.746 9.736 9.727 9.719 9.712 9.706 9.701 9.697 9.694 9.692 9.691 9.691 9.691 9.692 9.694 9.696 15.004 13.990 13.187 12.541 12.015 11.583 11.227 10.932 10.687 10.482 10.312 10.171 10.054 9.958 9.880 9.766 9.749 9.734 9.721 9.708 9.698 9.689 9.681 9.674 9.668 9.663 9.660 9.657 9.655 9.654 9.654 9.655 9.656 9.658 9.661 9.664 14.877 13.875 13.081 12.441 11.921 11.495 11.143 10.852 10.610 10.409 10.242 10.104 9.990 9.896 9.820 9.711 9.695 9.681 9.668 9.657 9.647 9.639 9.632 9.626 9.621 9.617 9.614 9.613 9.612 9.612 9.612 9.614 9.616 9.619 9.622 9.627 14.750 13.759 12.974 12.341 11.827 11.406 11.058 10.771 10.533 10.335 10.172 10.036 9.925 9.834 9.760 9.655 9.640 9.627 9.615 9.604 9.595 9.588 9.581 9.576 9.572 9.569 9.567 9.566 9.566 9.567 9.568 9.570 9.573 9.577 9.581 9.586 14.623 13.644 12.867 12.241 11.733 11.317 10.974 10.690 10.456 10.262 10.101 9.968 9.859 9.771 9.699 9.599 9.584 9.572 9.561 9.551 9.543 9.536 9.530 9.526 9.522 9.520 9.519 9.518 9.519 9.520 9.523 9.525 9.529 9.533 9.538 9.544 14.495 13.528 12.759 12.141 11.639 11.228 10.889 10.610 10.379 10.188 10.030 9.900 9.794 9.708 9.638 9.542 9.529 9.517 9.506 9.497 9.490 9.484 9.479 9.475 9.472 9.470 9.470 9.470 9.471 9.473 9.476 9.480 9.484 9.489 9.494 9.500 14.368 13.412 12.652 12.041 11.545 11.139 10.805 10.529 10.302 10.114 9.959 9.832 9.728 9.644 9.578 9.485 9.472 9.461 9.452 9.443 9.437 9.431 9.427 9.424 9.422 9.421 9.420 9.421 9.423 9.426 9.429 9.433 9.438 9.443 9.450 9.456 99999.999 13.297 12.545 11.941 11.451 11.050 10.720 10.449 10.225 10.040 9.889 9.764 9.663 9.581 9.517 9.428 9.416 9.406 9.397 9.389 9.383 9.378 9.375 9.372 9.371 9.370 9.371 9.372 9.375 9.378 9.382 9.386 9.392 9.398 9.404 9.412 KSO4- KSO4(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 2 1.000 12 1.000 4 -0.885 -0.880 -0.951 -1.060 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.885 -0.880 -0.951 -1.060 -1.195 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.885 -0.879 -0.950 -1.060 -1.195 -1.349 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.881 -0.877 -0.949 -1.059 -1.193 -1.347 -1.518 -1.708 -1.918 -2.154 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.879 -0.876 -0.948 -1.058 -1.192 -1.345 -1.516 -1.705 -1.914 -2.148 -2.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.875 -0.874 -0.947 -1.056 -1.190 -1.343 -1.513 -1.701 -1.909 -2.141 -2.408 -2.726 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.871 -0.872 -0.945 -1.055 -1.189 -1.341 -1.510 -1.696 -1.902 -2.131 -2.394 -2.704 -3.090 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.865 -0.869 -0.943 -1.053 -1.186 -1.337 -1.505 -1.690 -1.893 -2.119 -2.376 -2.678 -3.047 -3.532 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.859 -0.866 -0.941 -1.051 -1.183 -1.334 -1.500 -1.682 -1.883 -2.105 -2.355 -2.645 -2.995 -3.444 -4.129 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.854 -0.864 -0.940 -1.049 -1.182 -1.331 -1.496 -1.677 -1.875 -2.094 -2.339 -2.621 -2.958 -3.382 -4.008 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.847 -0.861 -0.938 -1.048 -1.179 -1.327 -1.491 -1.669 -1.864 -2.079 -2.317 -2.589 -2.908 -3.302 -3.860 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.840 -0.858 -0.936 -1.046 -1.177 -1.324 -1.486 -1.662 -1.854 -2.065 -2.297 -2.560 -2.863 -3.230 -3.733 -4.652 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.835 -0.856 -0.935 -1.045 -1.175 -1.321 -1.481 -1.656 -1.845 -2.051 -2.278 -2.532 -2.821 -3.164 -3.620 -4.229 -4.567 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.829 -0.854 -0.934 -1.044 -1.174 -1.319 -1.477 -1.649 -1.836 -2.039 -2.261 -2.506 -2.783 -3.105 -3.520 -4.086 -4.304 -4.596 -5.053 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.824 -0.853 -0.934 -1.044 -1.173 -1.316 -1.473 -1.644 -1.828 -2.027 -2.244 -2.482 -2.748 -3.051 -3.430 -3.983 -4.166 -4.379 -4.646 -5.008 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.820 -0.852 -0.934 -1.043 -1.172 -1.314 -1.470 -1.638 -1.820 -2.016 -2.228 -2.460 -2.715 -3.003 -3.351 -3.899 -4.062 -4.244 -4.452 -4.701 -5.013 -5.412 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.816 -0.851 -0.934 -1.043 -1.171 -1.313 -1.467 -1.633 -1.813 -2.006 -2.214 -2.439 -2.685 -2.959 -3.281 -3.827 -3.977 -4.140 -4.320 -4.522 -4.757 -5.037 -5.373 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.812 -0.851 -0.934 -1.044 -1.171 -1.312 -1.464 -1.629 -1.806 -1.996 -2.200 -2.420 -2.658 -2.919 -3.219 -3.763 -3.903 -4.054 -4.216 -4.393 -4.590 -4.813 -5.068 -5.362 -5.698 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.809 -0.850 -0.935 -1.044 -1.171 -1.311 -1.462 -1.625 -1.799 -1.987 -2.187 -2.402 -2.633 -2.883 -3.165 -3.705 -3.838 -3.979 -4.129 -4.289 -4.464 -4.655 -4.867 -5.103 -5.367 -5.658 -5.974 99999.999 99999.999 99999.999 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-3.868 -3.994 -4.126 -4.264 -4.408 -4.559 -4.718 -4.885 -5.060 -5.242 -5.432 -5.627 -5.826 -6.026 -6.226 99999.999 99999.999 99999.999 -0.797 -0.854 -0.942 -1.051 -1.174 -1.309 -1.454 -1.609 -1.773 -1.948 -2.133 -2.329 -2.535 -2.751 -2.980 -3.479 -3.587 -3.700 -3.816 -3.937 -4.063 -4.194 -4.330 -4.472 -4.620 -4.775 -4.935 -5.102 -5.274 -5.451 -5.632 -5.814 -5.995 -6.175 99999.999 99999.999 -0.796 -0.856 -0.944 -1.053 -1.176 -1.310 -1.454 -1.607 -1.769 -1.942 -2.124 -2.317 -2.519 -2.732 -2.955 -3.442 -3.547 -3.656 -3.769 -3.885 -4.005 -4.130 -4.259 -4.394 -4.533 -4.678 -4.828 -4.983 -5.142 -5.305 -5.471 -5.639 -5.806 -5.973 -6.136 -6.296 -0.795 -0.857 -0.947 -1.055 -1.177 -1.311 -1.453 -1.605 -1.765 -1.936 -2.116 -2.305 -2.504 -2.713 -2.932 -3.407 -3.510 -3.615 -3.724 -3.836 -3.952 -4.071 -4.195 -4.323 -4.456 -4.592 -4.734 -4.879 -5.028 -5.180 -5.335 -5.491 -5.647 -5.803 -5.956 -6.106 -0.802 -0.888 -0.982 -1.089 -1.205 -1.329 -1.460 -1.598 -1.743 -1.894 -2.053 -2.218 -2.390 -2.568 -2.752 -3.141 -3.223 -3.306 -3.390 -3.476 -3.564 -3.653 -3.744 -3.837 -3.931 -4.028 -4.125 -4.225 -4.326 -4.428 -4.532 -4.636 -4.742 -4.847 -4.954 -5.060 -0.833 -0.939 -1.036 -1.138 -1.248 -1.364 -1.485 -1.612 -1.743 -1.879 -2.020 -2.167 -2.318 -2.473 -2.633 -2.966 -3.035 -3.105 -3.176 -3.247 -3.319 -3.393 -3.467 -3.543 -3.619 -3.697 -3.775 -3.855 -3.935 -4.017 -4.099 -4.182 -4.267 -4.351 -4.437 -4.523 -0.884 -1.005 -1.103 -1.202 -1.305 -1.412 -1.524 -1.640 -1.760 -1.883 -2.010 -2.140 -2.274 -2.412 -2.553 -2.844 -2.904 -2.964 -3.025 -3.087 -3.149 -3.211 -3.275 -3.339 -3.404 -3.469 -3.536 -3.603 -3.670 -3.739 -3.808 -3.878 -3.948 -4.020 -4.092 -4.164 -0.950 -1.084 -1.182 -1.276 -1.372 -1.471 -1.574 -1.680 -1.789 -1.901 -2.015 -2.132 -2.252 -2.375 -2.500 -2.758 -2.810 -2.863 -2.917 -2.971 -3.025 -3.080 -3.135 -3.191 -3.247 -3.304 -3.361 -3.419 -3.478 -3.537 -3.596 -3.657 -3.717 -3.779 -3.841 -3.904 -1.029 -1.174 -1.271 -1.359 -1.447 -1.539 -1.633 -1.730 -1.829 -1.931 -2.034 -2.139 -2.247 -2.357 -2.468 -2.697 -2.744 -2.791 -2.838 -2.886 -2.934 -2.982 -3.031 -3.080 -3.130 -3.180 -3.230 -3.281 -3.333 -3.385 -3.437 -3.490 -3.543 -3.597 -3.652 -3.707 -1.118 -1.273 -1.367 -1.449 -1.530 -1.614 -1.699 -1.788 -1.878 -1.970 -2.063 -2.158 -2.254 -2.353 -2.452 -2.657 -2.698 -2.740 -2.783 -2.825 -2.868 -2.911 -2.954 -2.998 -3.042 -3.087 -3.131 -3.177 -3.222 -3.268 -3.315 -3.362 -3.410 -3.457 -3.506 -3.555 -1.215 -1.378 -1.470 -1.546 -1.620 -1.695 -1.772 -1.852 -1.933 -2.016 -2.100 -2.186 -2.272 -2.360 -2.450 -2.632 -2.669 -2.707 -2.745 -2.783 -2.821 -2.859 -2.898 -2.937 -2.977 -3.017 -3.057 -3.097 -3.138 -3.179 -3.221 -3.263 -3.306 -3.349 -3.392 -3.436 99999.999 -1.490 -1.580 -1.649 -1.715 -1.782 -1.851 -1.922 -1.995 -2.069 -2.145 -2.221 -2.299 -2.378 -2.457 -2.621 -2.654 -2.687 -2.721 -2.755 -2.789 -2.824 -2.859 -2.894 -2.929 -2.965 -3.001 -3.038 -3.074 -3.112 -3.149 -3.187 -3.226 -3.265 -3.304 -3.344 LiCl,aq LiCl(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 2 1.000 66 1.000 3 1.553 1.511 1.424 1.312 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.553 1.511 1.424 1.312 1.182 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.553 1.512 1.425 1.312 1.182 1.037 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.553 1.512 1.425 1.313 1.183 1.037 0.877 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.554 1.513 1.426 1.314 1.184 1.038 0.878 0.701 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.556 1.514 1.428 1.315 1.185 1.040 0.880 0.704 0.509 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.557 1.516 1.430 1.318 1.188 1.042 0.883 0.707 0.513 0.296 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.560 1.519 1.433 1.321 1.191 1.046 0.887 0.712 0.519 0.303 0.054 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.564 1.523 1.437 1.325 1.195 1.051 0.892 0.718 0.526 0.312 0.067 -0.226 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.569 1.529 1.442 1.331 1.201 1.058 0.900 0.726 0.536 0.325 0.083 -0.203 -0.560 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.575 1.535 1.449 1.338 1.209 1.066 0.909 0.737 0.549 0.340 0.103 -0.174 -0.515 -0.971 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.583 1.544 1.458 1.347 1.219 1.077 0.921 0.751 0.565 0.360 0.129 -0.139 -0.462 -0.881 -1.544 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.589 1.551 1.465 1.355 1.227 1.085 0.930 0.762 0.578 0.375 0.148 -0.113 -0.424 -0.819 -1.412 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.598 1.560 1.475 1.365 1.238 1.097 0.943 0.777 0.595 0.396 0.175 -0.077 -0.372 -0.739 -1.261 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.606 1.569 1.484 1.375 1.248 1.109 0.956 0.791 0.612 0.416 0.200 -0.043 -0.324 -0.666 -1.134 -2.462 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.614 1.578 1.494 1.385 1.259 1.120 0.969 0.805 0.628 0.436 0.225 -0.011 -0.280 -0.600 -1.023 -1.793 -2.241 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.622 1.587 1.503 1.395 1.269 1.131 0.981 0.819 0.644 0.455 0.248 0.019 -0.238 -0.539 -0.926 -1.585 -1.848 -2.211 -2.762 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.629 1.595 1.512 1.404 1.280 1.142 0.993 0.833 0.660 0.473 0.271 0.048 -0.200 -0.484 -0.838 -1.450 -1.655 -1.904 -2.222 -2.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.637 1.604 1.521 1.414 1.290 1.153 1.005 0.846 0.675 0.491 0.292 0.076 -0.163 -0.434 -0.760 -1.345 -1.522 -1.724 -1.961 -2.249 -2.608 -3.055 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.644 1.612 1.530 1.423 1.300 1.164 1.017 0.859 0.690 0.509 0.313 0.102 -0.129 -0.387 -0.691 -1.258 -1.417 -1.592 -1.790 -2.016 -2.282 -2.598 -2.971 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.651 1.620 1.539 1.432 1.309 1.174 1.028 0.872 0.705 0.526 0.334 0.127 -0.097 -0.344 -0.628 -1.183 -1.328 -1.487 -1.660 -1.853 -2.070 -2.318 -2.602 -2.926 -3.289 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.657 1.628 1.548 1.441 1.319 1.185 1.040 0.885 0.719 0.542 0.353 0.151 -0.067 -0.305 -0.572 -1.116 -1.252 -1.397 -1.554 -1.726 -1.914 -2.122 -2.355 -2.614 -2.902 -3.217 -3.555 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.664 1.636 1.556 1.451 1.329 1.195 1.051 0.897 0.733 0.558 0.372 0.173 -0.039 -0.268 -0.522 -1.055 -1.183 -1.319 -1.464 -1.620 -1.789 -1.972 -2.172 -2.391 -2.630 -2.890 -3.169 -3.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.670 1.644 1.565 1.459 1.338 1.205 1.062 0.909 0.747 0.574 0.391 0.195 -0.012 -0.235 -0.477 -0.999 -1.121 -1.249 -1.385 -1.530 -1.684 -1.849 -2.027 -2.219 -2.426 -2.649 -2.886 -3.136 -3.398 -3.666 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.676 1.652 1.573 1.468 1.347 1.215 1.073 0.921 0.760 0.589 0.408 0.216 0.013 -0.204 -0.437 -0.948 -1.064 -1.186 -1.314 -1.449 -1.593 -1.745 -1.907 -2.080 -2.264 -2.460 -2.667 -2.886 -3.114 -3.348 -3.587 99999.999 99999.999 99999.999 99999.999 99999.999 1.682 1.659 1.581 1.477 1.357 1.225 1.083 0.933 0.774 0.605 0.426 0.237 0.037 -0.175 -0.401 -0.899 -1.011 -1.128 -1.250 -1.378 -1.512 -1.654 -1.804 -1.962 -2.129 -2.306 -2.492 -2.687 -2.889 -3.098 -3.310 -3.525 -3.739 99999.999 99999.999 99999.999 1.688 1.667 1.589 1.485 1.366 1.235 1.094 0.945 0.786 0.619 0.443 0.256 0.060 -0.148 -0.368 -0.854 -0.962 -1.074 -1.190 -1.312 -1.439 -1.573 -1.713 -1.860 -2.014 -2.176 -2.346 -2.522 -2.705 -2.894 -3.086 -3.281 -3.476 -3.670 99999.999 99999.999 1.693 1.674 1.597 1.494 1.375 1.244 1.104 0.956 0.799 0.634 0.459 0.275 0.082 -0.122 -0.337 -0.811 -0.915 -1.023 -1.135 -1.252 -1.373 -1.499 -1.631 -1.769 -1.914 -2.064 -2.221 -2.383 -2.551 -2.724 -2.900 -3.079 -3.258 -3.437 -3.613 -3.786 1.699 1.681 1.605 1.502 1.384 1.254 1.115 0.967 0.812 0.648 0.475 0.294 0.103 -0.097 -0.308 -0.771 -0.872 -0.976 -1.084 -1.196 -1.312 -1.432 -1.558 -1.688 -1.824 -1.965 -2.111 -2.262 -2.418 -2.578 -2.741 -2.907 -3.073 -3.240 -3.405 -3.567 1.744 1.746 1.678 1.581 1.467 1.343 1.210 1.072 0.927 0.776 0.619 0.457 0.288 0.114 -0.066 -0.447 -0.527 -0.609 -0.692 -0.777 -0.863 -0.951 -1.041 -1.133 -1.226 -1.322 -1.419 -1.518 -1.619 -1.721 -1.825 -1.930 -2.036 -2.143 -2.250 -2.358 1.775 1.801 1.744 1.652 1.543 1.423 1.296 1.164 1.027 0.886 0.741 0.592 0.440 0.283 0.122 -0.210 -0.279 -0.348 -0.419 -0.490 -0.562 -0.635 -0.709 -0.784 -0.860 -0.936 -1.014 -1.093 -1.173 -1.254 -1.336 -1.418 -1.502 -1.586 -1.671 -1.756 1.795 1.848 1.802 1.717 1.612 1.497 1.374 1.247 1.117 0.984 0.848 0.709 0.568 0.424 0.278 -0.021 -0.082 -0.143 -0.205 -0.268 -0.331 -0.394 -0.459 -0.523 -0.589 -0.655 -0.721 -0.789 -0.857 -0.925 -0.994 -1.064 -1.134 -1.205 -1.277 -1.349 1.807 1.889 1.855 1.777 1.677 1.565 1.447 1.324 1.199 1.072 0.943 0.812 0.680 0.547 0.412 0.138 0.083 0.027 -0.029 -0.085 -0.142 -0.199 -0.257 -0.314 -0.373 -0.431 -0.490 -0.550 -0.609 -0.670 -0.731 -0.792 -0.854 -0.916 -0.978 -1.041 1.812 1.925 1.904 1.832 1.737 1.629 1.514 1.395 1.274 1.152 1.029 0.905 0.781 0.655 0.529 0.275 0.224 0.173 0.121 0.070 0.018 -0.034 -0.087 -0.139 -0.192 -0.245 -0.299 -0.352 -0.407 -0.461 -0.516 -0.571 -0.626 -0.682 -0.738 -0.795 1.812 1.957 1.949 1.884 1.794 1.689 1.577 1.462 1.345 1.226 1.108 0.990 0.871 0.753 0.634 0.396 0.348 0.300 0.252 0.204 0.156 0.108 0.060 0.011 -0.038 -0.086 -0.136 -0.185 -0.235 -0.284 -0.334 -0.385 -0.436 -0.487 -0.538 -0.590 1.807 1.986 1.991 1.933 1.847 1.746 1.637 1.525 1.411 1.296 1.182 1.068 0.954 0.841 0.728 0.504 0.459 0.414 0.369 0.324 0.279 0.234 0.189 0.143 0.098 0.052 0.007 -0.039 -0.085 -0.132 -0.178 -0.225 -0.272 -0.319 -0.367 -0.415 99999.999 2.011 2.030 1.980 1.898 1.800 1.695 1.585 1.473 1.362 1.250 1.140 1.031 0.922 0.815 0.601 0.559 0.516 0.474 0.431 0.389 0.346 0.304 0.261 0.218 0.175 0.132 0.089 0.046 0.003 -0.041 -0.085 -0.129 -0.173 -0.218 -0.263 LiOH,aq LiOH(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 3 -1.000 1 1.000 66 1.000 2 14.570 13.649 12.906 12.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.570 13.649 12.906 12.299 11.797 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.570 13.649 12.906 12.299 11.797 11.376 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.569 13.648 12.906 12.298 11.796 11.376 11.021 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.568 13.647 12.905 12.298 11.795 11.375 11.021 10.718 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.566 13.646 12.903 12.297 11.794 11.374 11.020 10.717 10.457 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.564 13.643 12.901 12.295 11.793 11.373 11.019 10.716 10.456 10.229 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.560 13.640 12.899 12.292 11.791 11.371 11.017 10.715 10.455 10.228 10.026 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.554 13.636 12.895 12.289 11.787 11.368 11.014 10.713 10.453 10.226 10.026 9.843 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.547 13.630 12.889 12.284 11.783 11.364 11.011 10.710 10.450 10.225 10.025 9.843 9.673 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.537 13.622 12.882 12.278 11.778 11.359 11.006 10.706 10.447 10.222 10.023 9.843 9.675 9.515 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.524 13.611 12.874 12.270 11.770 11.353 11.001 10.701 10.443 10.219 10.021 9.843 9.679 9.521 9.366 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.515 13.603 12.867 12.264 11.765 11.348 10.996 10.697 10.439 10.216 10.020 9.843 9.681 9.526 9.365 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.501 13.592 12.857 12.255 11.757 11.341 10.990 10.691 10.435 10.212 10.017 9.843 9.683 9.533 9.374 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.487 13.581 12.847 12.246 11.749 11.334 10.983 10.685 10.430 10.208 10.014 9.842 9.686 9.539 9.387 9.678 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.474 13.570 12.837 12.238 11.741 11.327 10.977 10.680 10.425 10.204 10.012 9.841 9.687 9.545 9.400 9.438 9.520 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.460 13.559 12.828 12.229 11.734 11.320 10.971 10.674 10.420 10.200 10.009 9.840 9.688 9.550 9.412 9.375 9.394 9.438 9.495 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.446 13.547 12.818 12.220 11.726 11.313 10.964 10.668 10.415 10.196 10.006 9.838 9.689 9.554 9.423 9.347 9.344 9.355 9.380 9.413 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.433 13.536 12.809 12.212 11.718 11.306 10.958 10.663 10.410 10.192 10.002 9.836 9.689 9.558 9.432 9.331 9.319 9.314 9.320 9.334 9.353 9.367 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.419 13.525 12.799 12.203 11.710 11.299 10.952 10.657 10.405 10.188 9.999 9.834 9.689 9.560 9.440 9.321 9.303 9.291 9.286 9.287 9.295 9.305 9.314 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.406 13.515 12.790 12.195 11.703 11.292 10.945 10.652 10.400 10.184 9.996 9.832 9.689 9.562 9.446 9.314 9.293 9.277 9.265 9.259 9.257 9.260 9.266 9.270 9.271 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.393 13.504 12.780 12.187 11.695 11.285 10.939 10.646 10.395 10.179 9.992 9.830 9.687 9.563 9.451 9.309 9.286 9.267 9.252 9.240 9.233 9.230 9.230 9.232 9.234 9.235 9.232 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.379 13.493 12.771 12.178 11.688 11.278 10.933 10.640 10.390 10.175 9.989 9.827 9.686 9.563 9.454 9.304 9.281 9.260 9.242 9.228 9.216 9.209 9.204 9.203 9.203 9.203 9.203 9.202 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.366 13.482 12.761 12.170 11.680 11.271 10.927 10.635 10.385 10.171 9.985 9.824 9.684 9.562 9.456 9.301 9.277 9.254 9.235 9.218 9.205 9.194 9.186 9.181 9.178 9.177 9.177 9.177 9.177 9.176 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.353 13.471 12.752 12.162 11.673 11.264 10.920 10.629 10.380 10.166 9.981 9.821 9.682 9.561 9.457 9.298 9.273 9.250 9.230 9.212 9.196 9.183 9.173 9.165 9.159 9.156 9.154 9.153 9.153 9.154 9.156 99999.999 99999.999 99999.999 99999.999 99999.999 14.340 13.461 12.743 12.153 11.665 11.257 10.914 10.623 10.375 10.162 9.978 9.818 9.680 9.560 9.456 9.296 9.270 9.247 9.225 9.206 9.189 9.175 9.163 9.153 9.145 9.139 9.135 9.133 9.132 9.133 9.134 9.137 9.141 99999.999 99999.999 99999.999 14.327 13.450 12.734 12.145 11.658 11.251 10.908 10.618 10.370 10.157 9.974 9.815 9.677 9.558 9.455 9.294 9.268 9.244 9.222 9.202 9.184 9.169 9.155 9.143 9.134 9.126 9.121 9.117 9.115 9.114 9.115 9.117 9.121 9.126 99999.999 99999.999 14.314 13.439 12.724 12.137 11.650 11.244 10.902 10.612 10.365 10.153 9.970 9.812 9.675 9.556 9.454 9.292 9.266 9.242 9.219 9.199 9.180 9.164 9.149 9.136 9.125 9.116 9.109 9.104 9.100 9.098 9.098 9.099 9.102 9.106 9.112 9.120 14.301 13.429 12.715 12.129 11.643 11.237 10.896 10.607 10.360 10.148 9.966 9.808 9.672 9.554 9.452 9.290 9.264 9.239 9.217 9.196 9.177 9.160 9.144 9.130 9.119 9.108 9.100 9.093 9.088 9.085 9.083 9.083 9.085 9.088 9.093 9.100 14.173 13.326 12.626 12.049 11.570 11.171 10.835 10.551 10.310 10.103 9.926 9.774 9.642 9.528 9.430 9.274 9.248 9.224 9.201 9.180 9.160 9.141 9.123 9.107 9.092 9.078 9.065 9.053 9.042 9.033 9.024 9.016 9.009 9.003 8.999 8.995 14.050 13.226 12.539 11.972 11.500 11.107 10.776 10.497 10.260 10.058 9.885 9.737 9.610 9.500 9.406 9.256 9.232 9.208 9.187 9.166 9.147 9.129 9.113 9.097 9.083 9.069 9.056 9.044 9.033 9.023 9.014 9.005 8.997 8.990 8.983 8.977 13.929 13.129 12.456 11.897 11.432 11.044 10.718 10.444 10.211 10.013 9.844 9.700 9.576 9.470 9.380 9.236 9.213 9.191 9.170 9.151 9.133 9.116 9.101 9.086 9.073 9.060 9.048 9.037 9.027 9.018 9.009 9.001 8.994 8.987 8.980 8.975 13.811 13.035 12.375 11.825 11.367 10.984 10.663 10.392 10.163 9.968 9.803 9.662 9.542 9.439 9.352 9.214 9.192 9.171 9.152 9.134 9.117 9.101 9.087 9.073 9.061 9.049 9.038 9.028 9.019 9.011 9.003 8.996 8.990 8.984 8.978 8.973 13.695 12.943 12.296 11.754 11.303 10.925 10.608 10.341 10.115 9.924 9.762 9.624 9.507 9.408 9.323 9.191 9.170 9.150 9.132 9.115 9.099 9.084 9.071 9.058 9.047 9.036 9.026 9.017 9.009 9.002 8.995 8.989 8.983 8.978 8.974 8.970 13.582 12.853 12.218 11.685 11.240 10.867 10.555 10.291 10.069 9.881 9.722 9.587 9.473 9.376 9.294 9.167 9.147 9.128 9.110 9.094 9.079 9.066 9.053 9.041 9.031 9.021 9.012 9.004 8.997 8.990 8.984 8.979 8.974 8.970 8.967 8.963 13.471 12.765 12.143 11.618 11.179 10.811 10.503 10.243 10.024 9.839 9.682 9.550 9.438 9.344 9.264 9.142 9.123 9.105 9.088 9.073 9.059 9.046 9.034 9.023 9.013 9.004 8.996 8.989 8.983 8.977 8.972 8.967 8.963 8.960 8.957 8.955 99999.999 12.679 12.069 11.552 11.119 10.756 10.452 10.195 9.979 9.797 9.643 9.513 9.404 9.311 9.234 9.117 9.098 9.081 9.065 9.050 9.037 9.025 9.014 9.004 8.995 8.987 8.979 8.973 8.967 8.962 8.958 8.954 8.951 8.948 8.946 8.944 Li(Ac),aq LiCH3COO P-T:All Charge = 0. 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-1.533 -1.937 -2.022 -2.109 -2.198 -2.288 -2.380 -2.474 -2.570 -2.667 -2.767 -2.869 -2.972 -3.078 -3.185 -3.294 -3.405 -3.517 -3.630 -3.744 -3.859 -3.975 -0.436 -0.128 -0.021 -0.005 -0.042 -0.113 -0.207 -0.317 -0.440 -0.575 -0.718 -0.869 -1.027 -1.191 -1.361 -1.718 -1.792 -1.867 -1.943 -2.019 -2.097 -2.176 -2.256 -2.337 -2.419 -2.502 -2.586 -2.671 -2.758 -2.845 -2.933 -3.022 -3.112 -3.203 -3.294 -3.386 -0.471 -0.118 0.009 0.035 0.006 -0.058 -0.146 -0.250 -0.366 -0.492 -0.627 -0.767 -0.914 -1.066 -1.222 -1.545 -1.612 -1.679 -1.747 -1.815 -1.884 -1.954 -2.024 -2.095 -2.167 -2.239 -2.312 -2.386 -2.461 -2.536 -2.611 -2.688 -2.765 -2.842 -2.920 -2.999 -0.516 -0.117 0.031 0.070 0.048 -0.010 -0.092 -0.190 -0.301 -0.421 -0.547 -0.680 -0.817 -0.959 -1.104 -1.403 -1.464 -1.526 -1.588 -1.650 -1.713 -1.776 -1.840 -1.904 -1.969 -2.034 -2.100 -2.166 -2.232 -2.299 -2.367 -2.435 -2.503 -2.572 -2.641 -2.711 -0.570 -0.122 0.048 0.098 0.085 0.033 -0.044 -0.137 -0.243 -0.357 -0.477 -0.603 -0.733 -0.866 -1.003 -1.282 -1.339 -1.396 -1.454 -1.512 -1.570 -1.628 -1.687 -1.746 -1.806 -1.866 -1.926 -1.986 -2.047 -2.108 -2.170 -2.232 -2.294 -2.357 -2.420 -2.484 -0.631 -0.132 0.059 0.122 0.117 0.071 0.000 -0.089 -0.190 -0.299 -0.415 -0.535 -0.658 -0.785 -0.914 -1.177 -1.231 -1.285 -1.339 -1.393 -1.447 -1.502 -1.557 -1.612 -1.668 -1.723 -1.779 -1.836 -1.892 -1.949 -2.006 -2.064 -2.122 -2.180 -2.238 -2.297 -0.698 -0.147 0.067 0.142 0.145 0.106 0.039 -0.046 -0.142 -0.247 -0.358 -0.473 -0.591 -0.712 -0.835 -1.085 -1.136 -1.187 -1.238 -1.289 -1.341 -1.392 -1.444 -1.496 -1.548 -1.601 -1.654 -1.706 -1.760 -1.813 -1.867 -1.921 -1.975 -2.029 -2.084 -2.139 99999.999 -0.166 0.071 0.159 0.170 0.136 0.075 -0.006 -0.098 -0.199 -0.306 -0.417 -0.530 -0.646 -0.764 -1.003 -1.051 -1.100 -1.148 -1.197 -1.246 -1.295 -1.345 -1.394 -1.444 -1.493 -1.543 -1.594 -1.644 -1.695 -1.746 -1.797 -1.848 -1.900 -1.952 -2.004 Li(Ac)2- Li(CH3COO)2- P-T:All Charge =-1. Radius(Å) = 4.00 Alk. = 2.000 Ref: Shock07 2 1.000 66 2.000 35 -0.806 -0.247 -0.020 0.019 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.806 -0.247 -0.020 0.019 -0.066 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.806 -0.246 -0.019 0.019 -0.066 -0.238 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.805 -0.245 -0.018 0.020 -0.065 -0.237 -0.476 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.803 -0.244 -0.016 0.022 -0.063 -0.235 -0.474 -0.765 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.801 -0.241 -0.013 0.025 -0.060 -0.232 -0.470 -0.762 -1.098 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.797 -0.237 -0.009 0.029 -0.055 -0.228 -0.466 -0.757 -1.093 -1.472 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.792 -0.231 -0.003 0.036 -0.049 -0.221 -0.459 -0.749 -1.085 -1.463 -1.888 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.786 -0.223 0.005 0.044 -0.040 -0.212 -0.450 -0.739 -1.074 -1.450 -1.872 -2.351 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.777 -0.212 0.016 0.055 -0.029 -0.200 -0.437 -0.726 -1.060 -1.434 -1.852 -2.325 -2.873 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.765 -0.199 0.031 0.070 -0.014 -0.185 -0.421 -0.709 -1.041 -1.413 -1.827 -2.292 -2.825 -3.475 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.751 -0.182 0.049 0.088 0.005 -0.166 -0.401 -0.688 -1.017 -1.386 -1.795 -2.251 -2.768 -3.383 -4.239 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.741 -0.169 0.062 0.103 0.019 -0.151 -0.386 -0.671 -1.000 -1.366 -1.771 -2.220 -2.726 -3.319 -4.105 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.726 -0.151 0.082 0.122 0.039 -0.130 -0.364 -0.648 -0.974 -1.338 -1.738 -2.179 -2.670 -3.234 -3.953 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.712 -0.133 0.101 0.142 0.059 -0.110 -0.343 -0.626 -0.950 -1.310 -1.706 -2.139 -2.617 -3.158 -3.825 -5.608 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.699 -0.116 0.119 0.161 0.079 -0.090 -0.322 -0.604 -0.926 -1.284 -1.675 -2.101 -2.567 -3.088 -3.712 -4.922 -5.459 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.687 -0.100 0.137 0.179 0.098 -0.070 -0.302 -0.582 -0.903 -1.258 -1.645 -2.065 -2.521 -3.024 -3.613 -4.707 -5.056 -5.506 -6.143 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.675 -0.083 0.154 0.198 0.116 -0.051 -0.282 -0.561 -0.880 -1.233 -1.617 -2.031 -2.477 -2.965 -3.523 -4.567 -4.858 -5.193 -5.597 -6.109 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.664 -0.068 0.172 0.215 0.135 -0.032 -0.262 -0.541 -0.858 -1.209 -1.589 -1.998 -2.436 -2.910 -3.443 -4.458 -4.721 -5.008 -5.331 -5.705 -6.149 -6.678 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.654 -0.053 0.188 0.233 0.152 -0.014 -0.243 -0.520 -0.836 -1.185 -1.562 -1.966 -2.397 -2.860 -3.371 -4.368 -4.612 -4.873 -5.156 -5.468 -5.819 -6.219 -6.676 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.644 -0.038 0.204 0.250 0.170 0.004 -0.224 -0.501 -0.815 -1.162 -1.536 -1.936 -2.361 -2.813 -3.305 -4.289 -4.520 -4.764 -5.023 -5.302 -5.604 -5.937 -6.305 -6.713 -7.158 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.634 -0.024 0.220 0.266 0.187 0.022 -0.206 -0.481 -0.795 -1.139 -1.511 -1.907 -2.326 -2.770 -3.246 -4.219 -4.440 -4.672 -4.914 -5.171 -5.445 -5.738 -6.056 -6.399 -6.771 -7.168 -7.588 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.626 -0.011 0.236 0.283 0.204 0.039 -0.188 -0.462 -0.774 -1.117 -1.486 -1.879 -2.293 -2.729 -3.193 -4.155 -4.369 -4.590 -4.821 -5.063 -5.317 -5.585 -5.871 -6.174 -6.498 -6.841 -7.203 -7.580 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.617 0.003 0.251 0.299 0.221 0.056 -0.170 -0.444 -0.754 -1.096 -1.463 -1.852 -2.262 -2.692 -3.145 -4.096 -4.303 -4.518 -4.739 -4.970 -5.209 -5.460 -5.723 -6.000 -6.292 -6.599 -6.920 -7.254 -7.598 -7.948 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.610 0.016 0.266 0.314 0.237 0.073 -0.153 -0.425 -0.735 -1.075 -1.439 -1.826 -2.232 -2.656 -3.101 -4.041 -4.243 -4.451 -4.666 -4.887 -5.116 -5.354 -5.601 -5.859 -6.128 -6.408 -6.700 -7.003 -7.314 -7.631 -7.953 99999.999 99999.999 99999.999 99999.999 99999.999 -0.602 0.028 0.280 0.330 0.253 0.090 -0.136 -0.407 -0.716 -1.054 -1.417 -1.801 -2.203 -2.623 -3.061 -3.990 -4.188 -4.390 -4.598 -4.812 -5.033 -5.260 -5.496 -5.739 -5.992 -6.253 -6.523 -6.802 -7.089 -7.381 -7.677 -7.975 -8.272 99999.999 99999.999 99999.999 -0.596 0.040 0.294 0.345 0.268 0.106 -0.119 -0.390 -0.697 -1.034 -1.395 -1.776 -2.176 -2.592 -3.024 -3.941 -4.135 -4.333 -4.536 -4.744 -4.958 -5.177 -5.403 -5.635 -5.875 -6.122 -6.376 -6.637 -6.904 -7.176 -7.452 -7.731 -8.009 -8.286 99999.999 99999.999 -0.589 0.052 0.308 0.359 0.284 0.122 -0.102 -0.373 -0.679 -1.014 -1.373 -1.753 -2.150 -2.562 -2.990 -3.895 -4.086 -4.280 -4.479 -4.681 -4.889 -5.101 -5.319 -5.543 -5.772 -6.008 -6.249 -6.496 -6.749 -7.005 -7.265 -7.528 -7.791 -8.053 -8.312 -8.568 -0.584 0.063 0.321 0.374 0.299 0.137 -0.086 -0.356 -0.661 -0.995 -1.352 -1.730 -2.124 -2.533 -2.957 -3.852 -4.039 -4.230 -4.425 -4.623 -4.825 -5.032 -5.243 -5.460 -5.681 -5.907 -6.138 -6.374 -6.615 -6.859 -7.106 -7.355 -7.605 -7.855 -8.103 -8.348 -0.549 0.158 0.440 0.504 0.435 0.279 0.062 -0.201 -0.497 -0.820 -1.164 -1.525 -1.900 -2.286 -2.682 -3.500 -3.668 -3.837 -4.008 -4.180 -4.354 -4.529 -4.706 -4.885 -5.065 -5.247 -5.431 -5.616 -5.802 -5.989 -6.178 -6.368 -6.558 -6.749 -6.940 -7.132 -0.551 0.225 0.534 0.611 0.551 0.401 0.189 -0.068 -0.358 -0.672 -1.006 -1.355 -1.716 -2.086 -2.464 -3.238 -3.396 -3.554 -3.712 -3.872 -4.033 -4.194 -4.356 -4.518 -4.682 -4.846 -5.011 -5.177 -5.343 -5.510 -5.678 -5.846 -6.014 -6.183 -6.352 -6.522 -0.581 0.270 0.609 0.701 0.650 0.506 0.299 0.048 -0.236 -0.544 -0.870 -1.210 -1.561 -1.919 -2.284 -3.028 -3.178 -3.329 -3.480 -3.632 -3.784 -3.936 -4.089 -4.242 -4.396 -4.550 -4.705 -4.859 -5.014 -5.170 -5.325 -5.481 -5.637 -5.794 -5.950 -6.107 -0.634 0.296 0.668 0.777 0.735 0.598 0.396 0.150 -0.129 -0.431 -0.751 -1.083 -1.426 -1.776 -2.131 -2.851 -2.996 -3.142 -3.288 -3.434 -3.580 -3.726 -3.873 -4.020 -4.167 -4.314 -4.461 -4.609 -4.756 -4.904 -5.052 -5.199 -5.347 -5.496 -5.644 -5.792 -0.706 0.307 0.714 0.841 0.810 0.679 0.483 0.241 -0.033 -0.331 -0.645 -0.972 -1.307 -1.650 -1.997 -2.699 -2.840 -2.982 -3.123 -3.265 -3.407 -3.549 -3.691 -3.833 -3.975 -4.117 -4.259 -4.401 -4.543 -4.686 -4.828 -4.970 -5.112 -5.254 -5.396 -5.539 -0.793 0.306 0.749 0.894 0.874 0.751 0.561 0.323 0.053 -0.240 -0.550 -0.871 -1.201 -1.538 -1.878 -2.566 -2.704 -2.842 -2.980 -3.119 -3.257 -3.396 -3.534 -3.672 -3.810 -3.949 -4.087 -4.225 -4.363 -4.501 -4.639 -4.777 -4.914 -5.052 -5.190 -5.327 -0.894 0.294 0.774 0.939 0.931 0.816 0.630 0.397 0.131 -0.158 -0.463 -0.781 -1.106 -1.437 -1.772 -2.447 -2.583 -2.718 -2.854 -2.990 -3.125 -3.261 -3.396 -3.531 -3.667 -3.802 -3.937 -4.072 -4.207 -4.341 -4.476 -4.610 -4.745 -4.879 -5.013 -5.147 99999.999 0.274 0.792 0.977 0.981 0.873 0.694 0.465 0.203 -0.082 -0.384 -0.698 -1.019 -1.346 -1.676 -2.341 -2.474 -2.608 -2.741 -2.874 -3.008 -3.141 -3.274 -3.407 -3.539 -3.672 -3.804 -3.937 -4.069 -4.201 -4.333 -4.465 -4.596 -4.728 -4.859 -4.991 Li(Ox)-,aq Li(Ox)- P-T:All Charge =-1. Radius(Å) = 2.50 Alk. = 2.000 Ref: Shock07 2 1.000 66 1.000 36 -0.631 -0.784 -1.036 -1.333 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.631 -0.784 -1.036 -1.333 -1.655 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.632 -0.785 -1.037 -1.333 -1.655 -1.995 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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Radius(Å) = 2.50 Alk. = 2.000 Ref: Shock07 2 1.000 66 1.000 37 -0.623 -0.784 -1.036 -1.339 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.623 -0.784 -1.036 -1.339 -1.675 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.624 -0.786 -1.037 -1.340 -1.676 -2.039 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.165 -1.309 -1.525 -1.791 -2.093 -2.421 -2.771 -3.138 -3.522 -3.921 -4.333 -4.760 -5.200 -5.655 -6.133 -7.077 -7.284 -7.495 -7.713 -7.939 -8.172 -8.417 -8.674 -8.946 -9.235 -9.543 -9.870 -10.213 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.202 -1.344 -1.557 -1.821 -2.119 -2.445 -2.792 -3.156 -3.537 -3.931 -4.340 -4.761 -5.194 -5.641 -6.105 -7.043 -7.244 -7.450 -7.661 -7.878 -8.102 -8.333 -8.574 -8.825 -9.088 -9.364 -9.653 -9.954 -10.266 -10.585 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.240 -1.379 -1.590 -1.850 -2.146 -2.469 -2.813 -3.174 -3.551 -3.942 -4.347 -4.763 -5.190 -5.630 -6.083 -7.012 -7.209 -7.409 -7.615 -7.824 -8.040 -8.262 -8.490 -8.727 -8.972 -9.226 -9.490 -9.762 -10.043 -10.330 -10.621 99999.999 99999.999 99999.999 99999.999 99999.999 -1.277 -1.414 -1.622 -1.880 -2.173 -2.493 -2.834 -3.192 -3.566 -3.954 -4.354 -4.766 -5.188 -5.621 -6.065 -6.984 -7.177 -7.373 -7.572 -7.776 -7.985 -8.199 -8.418 -8.644 -8.876 -9.115 -9.360 -9.613 -9.872 -10.135 -10.402 -10.670 -10.937 99999.999 99999.999 99999.999 -1.315 -1.449 -1.655 -1.909 -2.199 -2.516 -2.855 -3.210 -3.581 -3.965 -4.361 -4.769 -5.187 -5.614 -6.051 -6.958 -7.147 -7.339 -7.534 -7.733 -7.936 -8.143 -8.355 -8.572 -8.794 -9.021 -9.254 -9.491 -9.734 -9.980 -10.229 -10.479 -10.728 -10.975 99999.999 99999.999 -1.353 -1.485 -1.687 -1.939 -2.226 -2.540 -2.876 -3.228 -3.596 -3.977 -4.370 -4.773 -5.186 -5.608 -6.040 -6.934 -7.120 -7.308 -7.499 -7.694 -7.892 -8.093 -8.298 -8.508 -8.722 -8.940 -9.162 -9.389 -9.619 -9.852 -10.087 -10.323 -10.559 -10.792 -11.022 -11.247 -1.390 -1.520 -1.719 -1.968 -2.253 -2.564 -2.897 -3.247 -3.611 -3.989 -4.378 -4.778 -5.187 -5.604 -6.030 -6.913 -7.095 -7.280 -7.467 -7.658 -7.851 -8.047 -8.247 -8.451 -8.658 -8.868 -9.083 -9.300 -9.520 -9.743 -9.968 -10.193 -10.418 -10.641 -10.861 -11.078 -1.774 -1.873 -2.042 -2.262 -2.520 -2.805 -3.111 -3.434 -3.770 -4.118 -4.476 -4.843 -5.216 -5.596 -5.981 -6.767 -6.927 -7.088 -7.250 -7.413 -7.577 -7.743 -7.910 -8.078 -8.247 -8.418 -8.590 -8.763 -8.937 -9.112 -9.288 -9.464 -9.640 -9.817 -9.993 -10.169 -2.167 -2.229 -2.365 -2.556 -2.787 -3.046 -3.328 -3.627 -3.939 -4.261 -4.593 -4.933 -5.278 -5.629 -5.983 -6.702 -6.847 -6.993 -7.139 -7.286 -7.434 -7.582 -7.731 -7.881 -8.031 -8.182 -8.333 -8.486 -8.638 -8.792 -8.946 -9.100 -9.255 -9.410 -9.566 -9.722 -2.566 -2.586 -2.688 -2.849 -3.053 -3.289 -3.547 -3.823 -4.113 -4.414 -4.723 -5.039 -5.360 -5.686 -6.016 -6.682 -6.817 -6.951 -7.086 -7.222 -7.357 -7.493 -7.630 -7.767 -7.904 -8.041 -8.179 -8.318 -8.457 -8.596 -8.735 -8.875 -9.016 -9.156 -9.297 -9.439 -2.971 -2.944 -3.011 -3.142 -3.320 -3.531 -3.768 -4.023 -4.292 -4.572 -4.861 -5.156 -5.457 -5.762 -6.070 -6.693 -6.819 -6.944 -7.070 -7.196 -7.322 -7.449 -7.576 -7.703 -7.830 -7.957 -8.085 -8.213 -8.342 -8.470 -8.599 -8.728 -8.858 -8.988 -9.118 -9.248 -3.379 -3.304 -3.334 -3.435 -3.587 -3.774 -3.989 -4.224 -4.474 -4.736 -5.006 -5.282 -5.565 -5.851 -6.140 -6.726 -6.843 -6.961 -7.079 -7.198 -7.316 -7.435 -7.554 -7.673 -7.792 -7.911 -8.031 -8.151 -8.271 -8.391 -8.511 -8.632 -8.753 -8.874 -8.995 -9.117 -3.791 -3.664 -3.657 -3.728 -3.853 -4.018 -4.212 -4.427 -4.659 -4.902 -5.155 -5.415 -5.680 -5.949 -6.222 -6.774 -6.885 -6.996 -7.108 -7.219 -7.331 -7.443 -7.555 -7.667 -7.780 -7.892 -8.005 -8.118 -8.231 -8.344 -8.458 -8.571 -8.685 -8.799 -8.914 -9.028 -4.206 -4.024 -3.980 -4.021 -4.120 -4.262 -4.435 -4.631 -4.845 -5.072 -5.309 -5.553 -5.802 -6.056 -6.313 -6.835 -6.940 -7.045 -7.151 -7.256 -7.362 -7.468 -7.575 -7.681 -7.787 -7.894 -8.001 -8.108 -8.215 -8.322 -8.430 -8.538 -8.646 -8.754 -8.862 -8.971 99999.999 -4.385 -4.303 -4.313 -4.386 -4.506 -4.659 -4.837 -5.033 -5.244 -5.465 -5.694 -5.929 -6.169 -6.412 -6.906 -7.005 -7.105 -7.205 -7.306 -7.406 -7.507 -7.608 -7.709 -7.810 -7.912 -8.014 -8.115 -8.217 -8.320 -8.422 -8.525 -8.628 -8.731 -8.834 -8.938 MgCO3,aq MgCO3(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 2.000 Ref: Shock07 3 -1.000 1 1.000 10 1.000 5 7.742 7.350 7.037 6.784 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.742 7.350 7.037 6.784 6.574 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.742 7.349 7.036 6.783 6.574 6.393 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.741 7.349 7.035 6.783 6.573 6.392 6.228 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.740 7.347 7.034 6.781 6.572 6.392 6.228 6.071 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.738 7.345 7.032 6.779 6.570 6.390 6.227 6.070 5.911 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.734 7.341 7.028 6.776 6.568 6.388 6.226 6.070 5.912 5.739 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.730 7.336 7.023 6.772 6.564 6.386 6.224 6.069 5.913 5.742 5.543 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.723 7.329 7.017 6.766 6.559 6.382 6.221 6.069 5.914 5.746 5.551 5.307 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.714 7.319 7.008 6.758 6.552 6.376 6.218 6.067 5.915 5.751 5.562 5.327 5.019 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.703 7.307 6.996 6.747 6.543 6.369 6.213 6.065 5.917 5.758 5.575 5.351 5.061 4.668 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.687 7.290 6.980 6.734 6.532 6.360 6.207 6.062 5.918 5.765 5.591 5.380 5.112 4.750 4.212 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.675 7.278 6.968 6.723 6.522 6.353 6.202 6.060 5.919 5.770 5.602 5.401 5.148 4.810 4.287 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.658 7.259 6.951 6.707 6.509 6.342 6.194 6.056 5.920 5.777 5.617 5.430 5.197 4.892 4.416 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.640 7.240 6.933 6.691 6.495 6.331 6.186 6.052 5.920 5.782 5.631 5.456 5.242 4.967 4.544 5.562 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.622 7.221 6.915 6.675 6.481 6.320 6.178 6.047 5.919 5.787 5.644 5.479 5.283 5.035 4.663 4.985 5.172 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.604 7.202 6.897 6.659 6.467 6.308 6.169 6.042 5.918 5.791 5.655 5.501 5.321 5.097 4.773 4.884 4.915 4.992 5.040 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.585 7.183 6.879 6.643 6.453 6.297 6.161 6.037 5.917 5.795 5.665 5.520 5.354 5.153 4.871 4.872 4.853 4.857 4.879 4.881 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.567 7.164 6.861 6.626 6.439 6.285 6.152 6.031 5.915 5.798 5.674 5.538 5.385 5.204 4.959 4.887 4.850 4.823 4.808 4.799 4.773 4.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.548 7.144 6.843 6.610 6.425 6.273 6.143 6.025 5.913 5.800 5.681 5.554 5.412 5.248 5.036 4.914 4.868 4.827 4.793 4.765 4.737 4.695 4.618 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.529 7.125 6.824 6.593 6.410 6.261 6.133 6.019 5.910 5.801 5.688 5.568 5.436 5.288 5.103 4.944 4.895 4.848 4.805 4.766 4.728 4.688 4.637 4.564 4.457 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.510 7.105 6.806 6.577 6.396 6.248 6.124 6.012 5.907 5.802 5.694 5.580 5.458 5.322 5.161 4.976 4.926 4.877 4.829 4.784 4.740 4.696 4.649 4.594 4.523 4.433 4.320 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.490 7.086 6.787 6.560 6.381 6.236 6.114 6.005 5.903 5.803 5.700 5.592 5.477 5.353 5.210 5.009 4.959 4.909 4.860 4.812 4.764 4.717 4.669 4.618 4.561 4.494 4.416 4.324 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.471 7.066 6.769 6.543 6.366 6.223 6.104 5.998 5.899 5.803 5.704 5.602 5.494 5.379 5.252 5.041 4.992 4.942 4.893 4.844 4.795 4.746 4.697 4.647 4.594 4.537 4.475 4.405 4.329 4.248 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.451 7.046 6.750 6.526 6.351 6.211 6.093 5.991 5.895 5.802 5.708 5.610 5.508 5.401 5.286 5.072 5.024 4.976 4.927 4.878 4.829 4.780 4.730 4.680 4.629 4.576 4.520 4.462 4.400 4.336 4.272 99999.999 99999.999 99999.999 99999.999 99999.999 7.431 7.026 6.731 6.509 6.336 6.198 6.083 5.983 5.891 5.801 5.711 5.618 5.521 5.421 5.315 5.102 5.056 5.009 4.961 4.913 4.865 4.815 4.766 4.716 4.666 4.615 4.563 4.510 4.456 4.401 4.347 4.294 4.246 99999.999 99999.999 99999.999 7.411 7.005 6.712 6.491 6.321 6.185 6.073 5.975 5.886 5.800 5.713 5.625 5.533 5.438 5.339 5.131 5.087 5.041 4.995 4.948 4.901 4.852 4.803 4.754 4.704 4.655 4.604 4.554 4.504 4.454 4.406 4.360 4.317 4.280 99999.999 99999.999 7.391 6.985 6.693 6.474 6.305 6.172 6.062 5.967 5.881 5.798 5.715 5.631 5.543 5.453 5.359 5.159 5.116 5.073 5.028 4.983 4.937 4.889 4.842 4.793 4.744 4.695 4.646 4.598 4.550 4.502 4.457 4.414 4.375 4.340 4.312 4.291 7.371 6.965 6.674 6.457 6.290 6.158 6.051 5.959 5.876 5.796 5.717 5.636 5.552 5.466 5.377 5.186 5.145 5.103 5.060 5.017 4.972 4.926 4.880 4.832 4.785 4.737 4.689 4.641 4.594 4.549 4.505 4.463 4.425 4.391 4.363 4.341 7.159 6.755 6.478 6.279 6.131 6.020 5.935 5.867 5.809 5.759 5.710 5.663 5.614 5.564 5.513 5.401 5.377 5.351 5.326 5.299 5.271 5.242 5.212 5.181 5.149 5.116 5.082 5.048 5.013 4.977 4.941 4.906 4.870 4.835 4.800 4.767 6.935 6.537 6.276 6.094 5.965 5.873 5.807 5.760 5.726 5.699 5.676 5.655 5.635 5.614 5.592 5.543 5.531 5.520 5.507 5.494 5.480 5.465 5.450 5.433 5.416 5.398 5.378 5.358 5.337 5.315 5.292 5.269 5.244 5.219 5.193 5.167 6.701 6.313 6.068 5.904 5.793 5.719 5.672 5.644 5.629 5.622 5.622 5.624 5.627 5.631 5.633 5.635 5.634 5.633 5.632 5.629 5.627 5.623 5.619 5.614 5.609 5.602 5.595 5.587 5.577 5.567 5.556 5.545 5.532 5.518 5.503 5.487 6.458 6.083 5.855 5.709 5.616 5.560 5.530 5.519 5.522 5.534 5.553 5.575 5.599 5.623 5.647 5.692 5.700 5.708 5.716 5.723 5.729 5.735 5.740 5.745 5.748 5.752 5.754 5.756 5.756 5.756 5.755 5.753 5.751 5.747 5.742 5.736 6.210 5.848 5.638 5.510 5.435 5.396 5.383 5.388 5.408 5.437 5.473 5.512 5.555 5.597 5.640 5.723 5.739 5.754 5.769 5.784 5.798 5.812 5.825 5.838 5.850 5.861 5.871 5.881 5.890 5.898 5.906 5.912 5.918 5.922 5.926 5.929 5.957 5.610 5.418 5.308 5.250 5.228 5.231 5.253 5.287 5.332 5.383 5.439 5.498 5.557 5.617 5.733 5.756 5.778 5.800 5.821 5.842 5.863 5.883 5.902 5.921 5.939 5.956 5.973 5.989 6.004 6.019 6.032 6.045 6.057 6.068 6.078 5.700 5.369 5.195 5.103 5.063 5.057 5.076 5.113 5.162 5.221 5.287 5.358 5.431 5.506 5.580 5.727 5.755 5.784 5.811 5.839 5.866 5.892 5.918 5.944 5.968 5.992 6.016 6.039 6.061 6.082 6.102 6.122 6.141 6.159 6.176 6.192 99999.999 5.126 4.970 4.896 4.873 4.884 4.918 4.969 5.033 5.106 5.185 5.269 5.356 5.444 5.533 5.707 5.741 5.775 5.808 5.841 5.873 5.905 5.936 5.967 5.997 6.026 6.055 6.083 6.110 6.137 6.163 6.188 6.212 6.235 6.257 6.278 Mg(HCO3)+ Mg(HCO3)(+) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 1.000 Ref: Shock07 2 1.000 5 1.000 10 -1.077 -1.036 -1.111 -1.248 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.077 -1.036 -1.111 -1.248 -1.423 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.077 -1.036 -1.111 -1.248 -1.423 -1.626 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.073 -1.033 -1.109 -1.245 -1.420 -1.622 -1.848 -2.096 -2.366 -2.661 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.071 -1.031 -1.107 -1.243 -1.418 -1.620 -1.845 -2.092 -2.361 -2.655 -2.984 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.068 -1.029 -1.105 -1.241 -1.415 -1.617 -1.842 -2.087 -2.355 -2.647 -2.973 -3.347 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.064 -1.026 -1.102 -1.238 -1.412 -1.613 -1.837 -2.081 -2.347 -2.637 -2.958 -3.325 -3.758 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.059 -1.022 -1.099 -1.234 -1.407 -1.608 -1.830 -2.073 -2.336 -2.623 -2.940 -3.298 -3.716 -4.229 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.052 -1.017 -1.094 -1.230 -1.402 -1.601 -1.822 -2.063 -2.324 -2.606 -2.916 -3.264 -3.666 -4.151 -4.808 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.048 -1.014 -1.091 -1.226 -1.398 -1.596 -1.816 -2.056 -2.314 -2.594 -2.899 -3.240 -3.629 -4.094 -4.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.042 -1.009 -1.087 -1.222 -1.393 -1.590 -1.808 -2.045 -2.301 -2.576 -2.876 -3.206 -3.579 -4.018 -4.600 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.036 -1.005 -1.083 -1.217 -1.388 -1.584 -1.800 -2.035 -2.288 -2.560 -2.854 -3.175 -3.533 -3.947 -4.485 -4.549 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.030 -1.001 -1.079 -1.213 -1.383 -1.578 -1.793 -2.026 -2.276 -2.544 -2.833 -3.146 -3.491 -3.883 -4.378 -4.722 -4.791 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.025 -0.997 -1.075 -1.209 -1.378 -1.572 -1.786 -2.017 -2.264 -2.529 -2.813 -3.118 -3.451 -3.824 -4.281 -4.721 -4.838 -4.952 -5.126 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.021 -0.994 -1.072 -1.206 -1.374 -1.567 -1.779 -2.008 -2.253 -2.515 -2.794 -3.092 -3.414 -3.770 -4.194 -4.686 -4.818 -4.947 -5.082 -5.254 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.017 -0.991 -1.069 -1.203 -1.370 -1.562 -1.772 -2.000 -2.243 -2.501 -2.776 -3.068 -3.380 -3.720 -4.115 -4.644 -4.779 -4.914 -5.051 -5.198 -5.370 -5.595 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.013 -0.988 -1.067 -1.199 -1.366 -1.557 -1.766 -1.992 -2.232 -2.488 -2.758 -3.045 -3.349 -3.676 -4.045 -4.599 -4.735 -4.871 -5.010 -5.152 -5.303 -5.475 -5.679 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.009 -0.986 -1.064 -1.197 -1.363 -1.552 -1.760 -1.984 -2.223 -2.475 -2.742 -3.023 -3.320 -3.635 -3.983 -4.555 -4.690 -4.825 -4.963 -5.103 -5.248 -5.402 -5.571 -5.762 -5.981 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.006 -0.983 -1.062 -1.194 -1.359 -1.548 -1.755 -1.977 -2.213 -2.463 -2.727 -3.003 -3.293 -3.598 -3.928 -4.513 -4.645 -4.779 -4.915 -5.053 -5.195 -5.341 -5.495 -5.660 -5.840 -6.038 -6.254 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.003 -0.982 -1.060 -1.192 -1.356 -1.544 -1.749 -1.970 -2.204 -2.452 -2.712 -2.984 -3.268 -3.565 -3.881 -4.472 -4.602 -4.734 -4.868 -5.004 -5.142 -5.284 -5.431 -5.583 -5.744 -5.915 -6.097 -6.290 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.000 -0.980 -1.058 -1.190 -1.353 -1.540 -1.744 -1.963 -2.196 -2.441 -2.698 -2.966 -3.245 -3.535 -3.839 -4.433 -4.561 -4.691 -4.822 -4.956 -5.091 -5.230 -5.371 -5.517 -5.667 -5.823 -5.986 -6.156 -6.331 -6.509 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.998 -0.978 -1.057 -1.188 -1.351 -1.537 -1.740 -1.957 -2.188 -2.430 -2.685 -2.949 -3.224 -3.507 -3.802 -4.396 -4.522 -4.649 -4.778 -4.909 -5.042 -5.177 -5.315 -5.456 -5.600 -5.747 -5.899 -6.054 -6.213 -6.374 -6.535 99999.999 99999.999 99999.999 99999.999 99999.999 -0.996 -0.977 -1.055 -1.186 -1.348 -1.533 -1.735 -1.951 -2.180 -2.420 -2.672 -2.933 -3.204 -3.483 -3.770 -4.360 -4.484 -4.609 -4.735 -4.864 -4.995 -5.127 -5.262 -5.399 -5.538 -5.680 -5.824 -5.970 -6.119 -6.268 -6.418 -6.566 -6.711 99999.999 99999.999 99999.999 -0.995 -0.976 -1.054 -1.184 -1.346 -1.530 -1.731 -1.945 -2.172 -2.411 -2.660 -2.918 -3.185 -3.460 -3.742 -4.326 -4.447 -4.570 -4.695 -4.821 -4.949 -5.079 -5.211 -5.344 -5.480 -5.617 -5.756 -5.897 -6.039 -6.181 -6.322 -6.463 -6.600 -6.733 99999.999 99999.999 -0.993 -0.975 -1.053 -1.183 -1.344 -1.527 -1.727 -1.940 -2.165 -2.401 -2.648 -2.904 -3.168 -3.439 -3.716 -4.293 -4.413 -4.533 -4.656 -4.780 -4.905 -5.033 -5.162 -5.293 -5.425 -5.559 -5.694 -5.830 -5.967 -6.104 -6.240 -6.375 -6.508 -6.636 -6.760 -6.877 -0.992 -0.975 -1.053 -1.182 -1.342 -1.524 -1.723 -1.934 -2.158 -2.392 -2.637 -2.890 -3.151 -3.419 -3.693 -4.262 -4.379 -4.498 -4.618 -4.740 -4.864 -4.989 -5.115 -5.243 -5.373 -5.504 -5.636 -5.769 -5.902 -6.035 -6.167 -6.298 -6.427 -6.552 -6.673 -6.789 -0.995 -0.980 -1.056 -1.179 -1.333 -1.507 -1.695 -1.894 -2.102 -2.319 -2.544 -2.775 -3.012 -3.254 -3.499 -4.003 -4.105 -4.209 -4.313 -4.418 -4.524 -4.631 -4.739 -4.848 -4.957 -5.068 -5.179 -5.290 -5.403 -5.515 -5.628 -5.741 -5.854 -5.967 -6.079 -6.190 -1.020 -1.003 -1.073 -1.191 -1.338 -1.503 -1.682 -1.871 -2.067 -2.270 -2.479 -2.693 -2.912 -3.133 -3.358 -3.815 -3.907 -4.000 -4.094 -4.187 -4.282 -4.377 -4.472 -4.568 -4.665 -4.762 -4.860 -4.958 -5.057 -5.156 -5.256 -5.356 -5.457 -5.558 -5.659 -5.761 -1.062 -1.039 -1.103 -1.214 -1.354 -1.512 -1.682 -1.861 -2.048 -2.239 -2.435 -2.635 -2.838 -3.044 -3.252 -3.672 -3.757 -3.842 -3.927 -4.013 -4.098 -4.185 -4.271 -4.358 -4.445 -4.533 -4.621 -4.710 -4.799 -4.888 -4.978 -5.068 -5.159 -5.250 -5.341 -5.433 -1.117 -1.086 -1.143 -1.247 -1.379 -1.529 -1.692 -1.863 -2.039 -2.221 -2.406 -2.594 -2.784 -2.976 -3.170 -3.561 -3.639 -3.718 -3.797 -3.876 -3.955 -4.035 -4.114 -4.194 -4.274 -4.355 -4.435 -4.516 -4.598 -4.679 -4.761 -4.843 -4.926 -5.009 -5.093 -5.176 -1.183 -1.142 -1.191 -1.287 -1.411 -1.554 -1.709 -1.872 -2.041 -2.213 -2.389 -2.566 -2.745 -2.926 -3.108 -3.474 -3.547 -3.621 -3.694 -3.768 -3.841 -3.915 -3.989 -4.063 -4.138 -4.212 -4.287 -4.362 -4.437 -4.513 -4.588 -4.664 -4.741 -4.817 -4.894 -4.971 -1.259 -1.206 -1.246 -1.333 -1.450 -1.586 -1.733 -1.889 -2.050 -2.214 -2.381 -2.549 -2.719 -2.890 -3.061 -3.405 -3.474 -3.543 -3.612 -3.681 -3.750 -3.819 -3.888 -3.958 -4.027 -4.097 -4.167 -4.237 -4.307 -4.377 -4.448 -4.519 -4.590 -4.661 -4.733 -4.805 -1.342 -1.276 -1.306 -1.386 -1.495 -1.623 -1.763 -1.911 -2.065 -2.222 -2.381 -2.541 -2.702 -2.864 -3.026 -3.351 -3.416 -3.481 -3.546 -3.611 -3.676 -3.742 -3.807 -3.872 -3.938 -4.003 -4.069 -4.135 -4.201 -4.267 -4.333 -4.400 -4.466 -4.534 -4.601 -4.669 99999.999 -1.351 -1.372 -1.443 -1.544 -1.664 -1.797 -1.939 -2.086 -2.236 -2.387 -2.540 -2.694 -2.847 -3.001 -3.309 -3.371 -3.432 -3.494 -3.556 -3.617 -3.679 -3.741 -3.802 -3.864 -3.926 -3.988 -4.051 -4.113 -4.176 -4.238 -4.301 -4.364 -4.428 -4.492 -4.556 MgCl+ MgCl(+) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 2 1.000 10 1.000 3 0.097 0.135 0.079 -0.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.097 0.135 0.079 -0.029 -0.173 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.097 0.135 0.079 -0.029 -0.172 -0.343 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.097 0.135 0.080 -0.029 -0.172 -0.343 -0.537 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.098 0.136 0.080 -0.028 -0.172 -0.342 -0.536 -0.753 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.098 0.136 0.081 -0.027 -0.171 -0.341 -0.535 -0.752 -0.992 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.100 0.137 0.082 -0.026 -0.169 -0.340 -0.533 -0.749 -0.988 -1.255 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.101 0.139 0.083 -0.025 -0.168 -0.337 -0.531 -0.746 -0.984 -1.249 -1.550 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.103 0.141 0.085 -0.023 -0.165 -0.334 -0.527 -0.741 -0.978 -1.241 -1.539 -1.887 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.106 0.143 0.087 -0.020 -0.162 -0.331 -0.522 -0.735 -0.970 -1.230 -1.524 -1.865 -2.276 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.110 0.146 0.090 -0.017 -0.158 -0.326 -0.516 -0.727 -0.960 -1.217 -1.505 -1.838 -2.234 -2.738 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.115 0.150 0.094 -0.012 -0.153 -0.319 -0.508 -0.717 -0.947 -1.200 -1.482 -1.804 -2.183 -2.654 -3.337 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.118 0.153 0.097 -0.009 -0.149 -0.314 -0.502 -0.710 -0.937 -1.188 -1.465 -1.780 -2.146 -2.594 -3.228 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.123 0.157 0.101 -0.004 -0.143 -0.308 -0.494 -0.699 -0.924 -1.170 -1.442 -1.746 -2.096 -2.516 -3.090 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.127 0.161 0.105 0.000 -0.138 -0.301 -0.486 -0.689 -0.911 -1.154 -1.420 -1.715 -2.050 -2.444 -2.968 -3.703 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.131 0.164 0.109 0.005 -0.133 -0.295 -0.478 -0.679 -0.899 -1.138 -1.398 -1.685 -2.007 -2.379 -2.858 -3.442 -3.713 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.135 0.168 0.113 0.009 -0.128 -0.289 -0.470 -0.670 -0.887 -1.123 -1.378 -1.658 -1.967 -2.320 -2.760 -3.338 -3.535 -3.785 -4.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.139 0.171 0.116 0.013 -0.123 -0.283 -0.463 -0.661 -0.876 -1.108 -1.359 -1.632 -1.930 -2.266 -2.673 -3.253 -3.429 -3.626 -3.863 -4.177 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.142 0.174 0.120 0.017 -0.119 -0.278 -0.456 -0.652 -0.865 -1.094 -1.341 -1.607 -1.896 -2.216 -2.594 -3.180 -3.343 -3.519 -3.714 -3.941 -4.220 -4.573 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.145 0.177 0.123 0.020 -0.114 -0.272 -0.449 -0.643 -0.854 -1.080 -1.323 -1.584 -1.865 -2.171 -2.524 -3.115 -3.269 -3.432 -3.607 -3.800 -4.018 -4.273 -4.576 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.148 0.180 0.126 0.024 -0.110 -0.267 -0.443 -0.635 -0.843 -1.067 -1.306 -1.562 -1.835 -2.130 -2.462 -3.056 -3.202 -3.356 -3.519 -3.693 -3.883 -4.093 -4.330 -4.600 -4.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.151 0.182 0.129 0.027 -0.106 -0.262 -0.436 -0.627 -0.833 -1.054 -1.290 -1.541 -1.808 -2.093 -2.407 -3.001 -3.142 -3.289 -3.442 -3.604 -3.777 -3.963 -4.165 -4.387 -4.633 -4.903 -5.194 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.153 0.185 0.132 0.031 -0.102 -0.257 -0.430 -0.619 -0.824 -1.042 -1.275 -1.521 -1.782 -2.059 -2.358 -2.951 -3.087 -3.228 -3.374 -3.527 -3.688 -3.858 -4.039 -4.234 -4.444 -4.670 -4.913 -5.170 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.156 0.187 0.134 0.034 -0.098 -0.252 -0.424 -0.612 -0.814 -1.030 -1.260 -1.503 -1.758 -2.028 -2.316 -2.904 -3.036 -3.171 -3.312 -3.458 -3.610 -3.769 -3.937 -4.113 -4.301 -4.500 -4.710 -4.931 -5.161 -5.397 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.158 0.189 0.137 0.037 -0.094 -0.247 -0.418 -0.605 -0.805 -1.019 -1.246 -1.485 -1.736 -2.000 -2.278 -2.861 -2.988 -3.119 -3.254 -3.394 -3.540 -3.691 -3.848 -4.012 -4.184 -4.365 -4.553 -4.750 -4.953 -5.162 -5.374 99999.999 99999.999 99999.999 99999.999 99999.999 0.160 0.191 0.139 0.040 -0.090 -0.243 -0.412 -0.597 -0.796 -1.008 -1.232 -1.468 -1.715 -1.974 -2.245 -2.819 -2.943 -3.070 -3.201 -3.336 -3.476 -3.620 -3.769 -3.924 -4.085 -4.252 -4.426 -4.605 -4.790 -4.979 -5.171 -5.363 -5.554 99999.999 99999.999 99999.999 0.161 0.193 0.141 0.043 -0.087 -0.238 -0.407 -0.590 -0.788 -0.997 -1.219 -1.452 -1.696 -1.950 -2.215 -2.780 -2.901 -3.025 -3.152 -3.282 -3.417 -3.555 -3.698 -3.846 -3.998 -4.156 -4.318 -4.484 -4.655 -4.830 -5.006 -5.183 -5.360 -5.534 99999.999 99999.999 0.163 0.195 0.143 0.045 -0.083 -0.234 -0.402 -0.584 -0.779 -0.987 -1.206 -1.437 -1.677 -1.927 -2.187 -2.743 -2.861 -2.981 -3.105 -3.232 -3.362 -3.496 -3.633 -3.775 -3.920 -4.070 -4.223 -4.380 -4.541 -4.704 -4.869 -5.034 -5.200 -5.363 -5.523 -5.678 0.164 0.197 0.146 0.048 -0.080 -0.230 -0.396 -0.577 -0.771 -0.977 -1.194 -1.422 -1.659 -1.906 -2.162 -2.707 -2.823 -2.941 -3.061 -3.184 -3.311 -3.440 -3.573 -3.709 -3.849 -3.992 -4.139 -4.288 -4.440 -4.595 -4.751 -4.907 -5.064 -5.218 -5.371 -5.519 0.168 0.206 0.160 0.068 -0.053 -0.194 -0.351 -0.521 -0.701 -0.890 -1.088 -1.294 -1.508 -1.727 -1.953 -2.422 -2.519 -2.618 -2.717 -2.818 -2.920 -3.024 -3.129 -3.235 -3.343 -3.452 -3.563 -3.675 -3.788 -3.902 -4.017 -4.133 -4.249 -4.365 -4.482 -4.598 0.158 0.206 0.166 0.081 -0.034 -0.169 -0.317 -0.477 -0.646 -0.823 -1.007 -1.196 -1.391 -1.591 -1.796 -2.216 -2.302 -2.388 -2.476 -2.564 -2.653 -2.742 -2.833 -2.924 -3.016 -3.109 -3.203 -3.298 -3.393 -3.490 -3.587 -3.684 -3.782 -3.881 -3.981 -4.080 0.136 0.197 0.165 0.086 -0.022 -0.150 -0.292 -0.444 -0.603 -0.770 -0.941 -1.118 -1.299 -1.484 -1.672 -2.055 -2.133 -2.212 -2.291 -2.370 -2.450 -2.530 -2.611 -2.693 -2.774 -2.857 -2.940 -3.024 -3.108 -3.193 -3.278 -3.364 -3.450 -3.537 -3.625 -3.713 0.106 0.181 0.159 0.087 -0.016 -0.137 -0.272 -0.417 -0.569 -0.727 -0.889 -1.055 -1.224 -1.396 -1.571 -1.926 -1.998 -2.070 -2.143 -2.215 -2.288 -2.362 -2.436 -2.510 -2.584 -2.659 -2.734 -2.810 -2.886 -2.963 -3.040 -3.117 -3.195 -3.273 -3.352 -3.431 0.068 0.160 0.147 0.082 -0.014 -0.129 -0.259 -0.397 -0.542 -0.692 -0.846 -1.003 -1.162 -1.324 -1.488 -1.819 -1.886 -1.953 -2.021 -2.088 -2.156 -2.224 -2.292 -2.360 -2.429 -2.498 -2.567 -2.637 -2.707 -2.777 -2.848 -2.919 -2.990 -3.062 -3.134 -3.207 0.024 0.134 0.131 0.074 -0.016 -0.126 -0.249 -0.382 -0.520 -0.664 -0.811 -0.960 -1.111 -1.264 -1.418 -1.730 -1.792 -1.855 -1.918 -1.982 -2.045 -2.108 -2.172 -2.236 -2.300 -2.364 -2.429 -2.494 -2.559 -2.624 -2.690 -2.755 -2.822 -2.888 -2.955 -3.022 -0.024 0.105 0.112 0.062 -0.021 -0.125 -0.243 -0.370 -0.503 -0.641 -0.781 -0.924 -1.068 -1.213 -1.359 -1.654 -1.713 -1.772 -1.832 -1.891 -1.951 -2.011 -2.071 -2.131 -2.191 -2.251 -2.312 -2.373 -2.434 -2.495 -2.556 -2.618 -2.680 -2.743 -2.805 -2.868 99999.999 0.073 0.090 0.047 -0.029 -0.128 -0.240 -0.362 -0.490 -0.623 -0.757 -0.894 -1.031 -1.170 -1.309 -1.589 -1.645 -1.701 -1.757 -1.814 -1.870 -1.927 -1.984 -2.040 -2.097 -2.154 -2.212 -2.269 -2.327 -2.385 -2.443 -2.501 -2.560 -2.619 -2.678 -2.738 MgF+ MgF(+) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 2 1.000 10 1.000 23 -1.387 -1.352 -1.429 -1.565 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.387 -1.352 -1.429 -1.565 -1.739 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.387 -1.352 -1.429 -1.565 -1.739 -1.942 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.386 -1.352 -1.429 -1.565 -1.739 -1.942 -2.169 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.386 -1.352 -1.428 -1.564 -1.738 -1.941 -2.168 -2.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.385 -1.351 -1.428 -1.564 -1.738 -1.940 -2.167 -2.417 -2.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.384 -1.350 -1.427 -1.562 -1.736 -1.938 -2.165 -2.414 -2.688 -2.989 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.382 -1.348 -1.425 -1.561 -1.734 -1.936 -2.162 -2.411 -2.683 -2.983 -3.321 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.379 -1.346 -1.423 -1.559 -1.732 -1.933 -2.158 -2.406 -2.677 -2.974 -3.309 -3.696 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.376 -1.344 -1.421 -1.556 -1.728 -1.929 -2.153 -2.399 -2.668 -2.963 -3.293 -3.672 -4.125 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.371 -1.340 -1.417 -1.552 -1.724 -1.923 -2.146 -2.391 -2.657 -2.949 -3.273 -3.643 -4.080 -4.627 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.366 -1.336 -1.413 -1.547 -1.718 -1.917 -2.138 -2.380 -2.643 -2.931 -3.248 -3.607 -4.025 -4.539 -5.262 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.362 -1.332 -1.410 -1.544 -1.714 -1.912 -2.131 -2.372 -2.633 -2.917 -3.230 -3.580 -3.985 -4.476 -5.156 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.356 -1.328 -1.405 -1.539 -1.708 -1.904 -2.122 -2.360 -2.618 -2.898 -3.204 -3.544 -3.932 -4.392 -5.014 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.351 -1.323 -1.401 -1.534 -1.702 -1.897 -2.114 -2.350 -2.605 -2.880 -3.180 -3.510 -3.882 -4.315 -4.885 -5.393 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.346 -1.319 -1.396 -1.529 -1.697 -1.890 -2.105 -2.339 -2.591 -2.863 -3.157 -3.478 -3.835 -4.245 -4.768 -5.281 -5.491 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.341 -1.315 -1.392 -1.524 -1.691 -1.884 -2.097 -2.329 -2.578 -2.846 -3.135 -3.448 -3.792 -4.181 -4.663 -5.215 -5.391 -5.603 -5.938 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.336 -1.311 -1.388 -1.520 -1.686 -1.877 -2.089 -2.319 -2.565 -2.830 -3.114 -3.420 -3.752 -4.122 -4.568 -5.147 -5.315 -5.497 -5.709 -5.993 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.331 -1.307 -1.384 -1.515 -1.681 -1.871 -2.081 -2.309 -2.553 -2.815 -3.094 -3.393 -3.715 -4.069 -4.483 -5.082 -5.244 -5.414 -5.598 -5.809 -6.067 -6.402 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.327 -1.303 -1.380 -1.511 -1.676 -1.865 -2.073 -2.299 -2.541 -2.800 -3.075 -3.367 -3.680 -4.019 -4.407 -5.021 -5.177 -5.340 -5.512 -5.697 -5.903 -6.145 -6.435 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.322 -1.299 -1.376 -1.507 -1.671 -1.859 -2.066 -2.290 -2.530 -2.785 -3.056 -3.343 -3.648 -3.975 -4.339 -4.964 -5.116 -5.272 -5.435 -5.607 -5.791 -5.993 -6.221 -6.483 -6.783 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.318 -1.296 -1.373 -1.502 -1.666 -1.853 -2.059 -2.281 -2.519 -2.771 -3.038 -3.321 -3.618 -3.934 -4.279 -4.911 -5.058 -5.209 -5.366 -5.529 -5.700 -5.882 -6.080 -6.296 -6.536 -6.801 -7.091 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.314 -1.292 -1.369 -1.498 -1.661 -1.847 -2.052 -2.272 -2.508 -2.758 -3.021 -3.299 -3.590 -3.897 -4.226 -4.861 -5.004 -5.150 -5.301 -5.457 -5.620 -5.790 -5.970 -6.162 -6.368 -6.590 -6.830 -7.085 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.311 -1.289 -1.366 -1.494 -1.656 -1.841 -2.045 -2.264 -2.497 -2.745 -3.005 -3.279 -3.564 -3.864 -4.180 -4.814 -4.953 -5.095 -5.241 -5.392 -5.548 -5.709 -5.878 -6.054 -6.240 -6.437 -6.645 -6.864 -7.093 -7.329 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.307 -1.286 -1.362 -1.491 -1.652 -1.836 -2.038 -2.255 -2.487 -2.732 -2.989 -3.259 -3.540 -3.833 -4.139 -4.769 -4.905 -5.043 -5.185 -5.331 -5.481 -5.636 -5.796 -5.962 -6.135 -6.315 -6.503 -6.699 -6.901 -7.109 -7.321 99999.999 99999.999 99999.999 99999.999 99999.999 -1.304 -1.283 -1.359 -1.487 -1.647 -1.830 -2.031 -2.247 -2.477 -2.719 -2.974 -3.240 -3.517 -3.805 -4.103 -4.726 -4.859 -4.994 -5.133 -5.274 -5.420 -5.569 -5.722 -5.881 -6.044 -6.213 -6.387 -6.566 -6.751 -6.940 -7.131 -7.324 -7.515 99999.999 99999.999 99999.999 -1.301 -1.280 -1.356 -1.483 -1.643 -1.825 -2.025 -2.239 -2.467 -2.707 -2.960 -3.223 -3.496 -3.778 -4.071 -4.686 -4.816 -4.948 -5.083 -5.221 -5.362 -5.506 -5.654 -5.806 -5.963 -6.123 -6.287 -6.455 -6.627 -6.802 -6.979 -7.156 -7.333 -7.507 99999.999 99999.999 -1.298 -1.277 -1.353 -1.479 -1.639 -1.820 -2.019 -2.232 -2.458 -2.696 -2.945 -3.206 -3.475 -3.754 -4.042 -4.647 -4.774 -4.904 -5.035 -5.170 -5.307 -5.448 -5.591 -5.738 -5.888 -6.042 -6.198 -6.358 -6.521 -6.686 -6.852 -7.018 -7.184 -7.348 -7.508 -7.663 -1.295 -1.274 -1.350 -1.476 -1.634 -1.815 -2.012 -2.224 -2.448 -2.684 -2.932 -3.189 -3.456 -3.731 -4.014 -4.610 -4.735 -4.861 -4.990 -5.122 -5.256 -5.393 -5.532 -5.674 -5.820 -5.968 -6.118 -6.272 -6.427 -6.584 -6.742 -6.900 -7.058 -7.214 -7.366 -7.515 -1.274 -1.252 -1.323 -1.445 -1.597 -1.770 -1.957 -2.157 -2.366 -2.585 -2.812 -3.046 -3.287 -3.534 -3.786 -4.305 -4.412 -4.520 -4.629 -4.739 -4.850 -4.963 -5.077 -5.192 -5.308 -5.426 -5.545 -5.664 -5.785 -5.907 -6.029 -6.152 -6.275 -6.398 -6.521 -6.643 -1.265 -1.237 -1.304 -1.421 -1.567 -1.732 -1.912 -2.102 -2.300 -2.505 -2.716 -2.933 -3.155 -3.381 -3.610 -4.079 -4.175 -4.271 -4.367 -4.464 -4.562 -4.661 -4.760 -4.861 -4.961 -5.063 -5.165 -5.269 -5.372 -5.477 -5.582 -5.688 -5.794 -5.901 -6.008 -6.116 -1.266 -1.229 -1.290 -1.401 -1.542 -1.701 -1.874 -2.055 -2.244 -2.438 -2.637 -2.840 -3.047 -3.257 -3.469 -3.900 -3.987 -4.075 -4.162 -4.251 -4.339 -4.428 -4.518 -4.608 -4.698 -4.789 -4.881 -4.973 -5.065 -5.158 -5.252 -5.346 -5.440 -5.536 -5.631 -5.727 -1.274 -1.227 -1.281 -1.386 -1.521 -1.675 -1.841 -2.016 -2.197 -2.382 -2.571 -2.763 -2.957 -3.154 -3.352 -3.753 -3.834 -3.914 -3.996 -4.077 -4.158 -4.240 -4.322 -4.405 -4.488 -4.571 -4.654 -4.738 -4.822 -4.907 -4.991 -5.077 -5.163 -5.249 -5.336 -5.423 -1.289 -1.228 -1.275 -1.375 -1.504 -1.653 -1.813 -1.982 -2.156 -2.333 -2.514 -2.696 -2.881 -3.066 -3.253 -3.629 -3.705 -3.780 -3.856 -3.932 -4.008 -4.084 -4.160 -4.237 -4.313 -4.390 -4.467 -4.545 -4.623 -4.701 -4.779 -4.858 -4.937 -5.016 -5.096 -5.176 -1.308 -1.234 -1.273 -1.366 -1.491 -1.634 -1.789 -1.952 -2.120 -2.291 -2.465 -2.639 -2.815 -2.991 -3.168 -3.523 -3.594 -3.665 -3.737 -3.808 -3.879 -3.951 -4.022 -4.094 -4.166 -4.238 -4.310 -4.382 -4.455 -4.528 -4.601 -4.674 -4.748 -4.822 -4.896 -4.971 -1.332 -1.241 -1.273 -1.361 -1.480 -1.618 -1.768 -1.926 -2.089 -2.254 -2.421 -2.589 -2.757 -2.926 -3.094 -3.431 -3.499 -3.566 -3.634 -3.701 -3.769 -3.836 -3.904 -3.972 -4.039 -4.107 -4.175 -4.244 -4.312 -4.381 -4.449 -4.518 -4.588 -4.657 -4.727 -4.797 99999.999 -1.252 -1.275 -1.357 -1.471 -1.605 -1.750 -1.904 -2.061 -2.222 -2.383 -2.545 -2.707 -2.868 -3.029 -3.351 -3.415 -3.480 -3.544 -3.608 -3.672 -3.737 -3.801 -3.865 -3.929 -3.994 -4.059 -4.123 -4.188 -4.253 -4.318 -4.384 -4.450 -4.515 -4.582 -4.648 MgOH+ MgOH(+) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 1.000 Ref: Shock07 3 -1.000 1 1.000 10 1.000 2 12.674 11.682 10.816 10.061 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.674 11.682 10.816 10.061 9.399 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.674 11.683 10.816 10.061 9.399 8.813 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.674 11.683 10.816 10.061 9.399 8.814 8.291 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.675 11.683 10.817 10.062 9.400 8.814 8.291 7.820 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.675 11.684 10.817 10.062 9.400 8.815 8.292 7.821 7.392 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.676 11.685 10.818 10.063 9.401 8.816 8.293 7.822 7.393 6.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.677 11.686 10.820 10.065 9.403 8.817 8.294 7.823 7.395 7.001 6.634 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.679 11.688 10.822 10.067 9.405 8.819 8.296 7.826 7.398 7.004 6.638 6.291 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.681 11.691 10.824 10.069 9.407 8.822 8.299 7.828 7.401 7.008 6.642 6.297 5.967 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.684 11.694 10.827 10.072 9.410 8.825 8.303 7.832 7.405 7.013 6.648 6.304 5.976 5.665 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.688 11.698 10.832 10.077 9.414 8.829 8.307 7.837 7.410 7.018 6.655 6.314 5.988 5.676 5.400 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.690 11.701 10.835 10.080 9.418 8.832 8.310 7.840 7.414 7.023 6.660 6.321 5.997 5.687 5.384 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.694 11.705 10.839 10.084 9.422 8.837 8.315 7.845 7.419 7.029 6.668 6.330 6.010 5.703 5.392 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.698 11.709 10.843 10.088 9.426 8.841 8.319 7.850 7.424 7.035 6.675 6.339 6.023 5.720 5.412 6.087 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.701 11.713 10.847 10.092 9.430 8.845 8.324 7.855 7.429 7.041 6.682 6.348 6.035 5.736 5.435 5.463 5.679 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.704 11.717 10.851 10.096 9.434 8.849 8.328 7.859 7.434 7.046 6.688 6.356 6.046 5.751 5.459 5.310 5.354 5.472 5.656 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.708 11.721 10.855 10.100 9.438 8.853 8.332 7.864 7.439 7.051 6.695 6.364 6.056 5.766 5.481 5.243 5.232 5.256 5.323 5.429 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.711 11.724 10.859 10.104 9.442 8.857 8.336 7.868 7.444 7.056 6.701 6.371 6.066 5.779 5.502 5.207 5.170 5.154 5.164 5.201 5.263 5.331 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.714 11.728 10.863 10.108 9.446 8.861 8.340 7.872 7.448 7.061 6.706 6.378 6.074 5.791 5.521 5.185 5.135 5.098 5.078 5.076 5.094 5.128 5.169 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.716 11.731 10.866 10.111 9.449 8.865 8.344 7.876 7.452 7.066 6.712 6.385 6.083 5.802 5.537 5.172 5.113 5.064 5.027 5.002 4.992 4.996 5.012 5.034 5.056 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.719 11.735 10.870 10.115 9.453 8.868 8.347 7.880 7.457 7.071 6.717 6.391 6.090 5.812 5.551 5.164 5.100 5.043 4.994 4.956 4.928 4.912 4.906 4.909 4.918 4.929 4.937 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.722 11.738 10.873 10.118 9.456 8.872 8.351 7.884 7.461 7.075 6.722 6.397 6.097 5.820 5.563 5.160 5.091 5.029 4.973 4.925 4.886 4.855 4.834 4.821 4.816 4.815 4.817 4.819 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.725 11.741 10.876 10.122 9.460 8.875 8.354 7.887 7.465 7.080 6.727 6.403 6.104 5.828 5.574 5.157 5.086 5.019 4.959 4.905 4.857 4.817 4.784 4.759 4.741 4.729 4.721 4.717 4.714 4.712 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.727 11.744 10.880 10.125 9.463 8.878 8.358 7.891 7.468 7.084 6.732 6.408 6.110 5.835 5.582 5.157 5.083 5.014 4.949 4.890 4.837 4.790 4.749 4.714 4.686 4.664 4.647 4.635 4.626 4.619 4.614 99999.999 99999.999 99999.999 99999.999 99999.999 12.729 11.747 10.883 10.128 9.466 8.881 8.361 7.894 7.472 7.088 6.736 6.413 6.115 5.841 5.589 5.157 5.082 5.010 4.943 4.881 4.823 4.771 4.724 4.682 4.646 4.616 4.591 4.571 4.554 4.541 4.532 4.524 4.520 99999.999 99999.999 99999.999 12.732 11.750 10.886 10.131 9.469 8.884 8.364 7.898 7.476 7.092 6.740 6.417 6.120 5.846 5.595 5.159 5.082 5.009 4.940 4.874 4.814 4.757 4.706 4.659 4.617 4.580 4.548 4.520 4.497 4.478 4.463 4.450 4.441 4.434 99999.999 99999.999 12.734 11.753 10.889 10.134 9.472 8.887 8.367 7.901 7.479 7.096 6.744 6.422 6.125 5.851 5.600 5.161 5.083 5.008 4.938 4.870 4.807 4.748 4.692 4.642 4.595 4.553 4.515 4.482 4.453 4.427 4.406 4.388 4.374 4.362 4.354 4.349 12.736 11.756 10.892 10.137 9.475 8.890 8.370 7.904 7.483 7.099 6.749 6.426 6.129 5.856 5.605 5.163 5.084 5.009 4.937 4.868 4.803 4.741 4.683 4.629 4.579 4.532 4.490 4.452 4.417 4.387 4.360 4.337 4.317 4.301 4.288 4.278 12.753 11.779 10.917 10.162 9.501 8.916 8.397 7.932 7.512 7.131 6.783 6.464 6.170 5.898 5.647 5.199 5.117 5.038 4.961 4.886 4.813 4.743 4.674 4.608 4.544 4.481 4.421 4.363 4.307 4.252 4.200 4.149 4.101 4.054 4.010 3.967 12.765 11.797 10.937 10.183 9.521 8.937 8.418 7.954 7.536 7.156 6.811 6.494 6.202 5.933 5.683 5.236 5.154 5.075 4.997 4.921 4.848 4.776 4.706 4.638 4.571 4.507 4.443 4.381 4.321 4.262 4.204 4.148 4.093 4.039 3.987 3.935 12.771 11.810 10.952 10.199 9.537 8.954 8.435 7.971 7.554 7.176 6.832 6.517 6.228 5.961 5.713 5.269 5.188 5.109 5.031 4.956 4.883 4.811 4.741 4.673 4.606 4.541 4.477 4.415 4.354 4.294 4.236 4.179 4.122 4.067 4.013 3.960 12.774 11.820 10.964 10.212 9.551 8.967 8.449 7.985 7.569 7.192 6.850 6.536 6.249 5.983 5.738 5.297 5.217 5.138 5.061 4.986 4.914 4.842 4.773 4.705 4.639 4.574 4.511 4.449 4.389 4.329 4.271 4.214 4.157 4.102 4.048 3.995 12.774 11.828 10.974 10.223 9.562 8.978 8.460 7.997 7.581 7.205 6.864 6.552 6.266 6.002 5.758 5.321 5.241 5.163 5.087 5.013 4.940 4.870 4.801 4.734 4.668 4.604 4.541 4.480 4.420 4.361 4.303 4.247 4.191 4.136 4.083 4.030 12.772 11.833 10.982 10.231 9.571 8.987 8.469 8.007 7.591 7.216 6.875 6.565 6.280 6.018 5.775 5.341 5.262 5.184 5.109 5.035 4.963 4.894 4.825 4.759 4.694 4.630 4.568 4.507 4.448 4.389 4.332 4.276 4.221 4.167 4.114 4.062 12.769 11.837 10.988 10.238 9.578 8.995 8.477 8.015 7.600 7.225 6.885 6.575 6.291 6.030 5.789 5.358 5.279 5.202 5.127 5.054 4.983 4.914 4.846 4.780 4.716 4.653 4.591 4.531 4.472 4.414 4.358 4.302 4.248 4.194 4.142 4.090 99999.999 11.840 10.993 10.244 9.584 9.002 8.484 8.022 7.607 7.233 6.893 6.584 6.301 6.041 5.801 5.373 5.294 5.218 5.143 5.071 5.000 4.931 4.864 4.799 4.735 4.672 4.611 4.551 4.493 4.436 4.380 4.325 4.271 4.218 4.166 4.115 Mn+3 Mn(+3) P-T:All Charge = 3. Radius(Å) = 3.46 Alk. = 0.000 Ref: Shock07 5 1.125 1 0.125 4 1.000 14 -0.125 6 -0.500 2 22.295 21.297 20.465 19.761 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.295 21.297 20.465 19.761 19.157 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.294 21.297 20.465 19.760 19.157 18.638 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.294 21.296 20.464 19.760 19.157 18.637 18.189 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.293 21.295 20.463 19.759 19.156 18.636 18.188 17.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.291 21.294 20.462 19.757 19.154 18.635 18.186 17.798 17.463 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.289 21.291 20.459 19.754 19.151 18.632 18.184 17.796 17.460 17.170 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.285 21.288 20.456 19.751 19.148 18.629 18.180 17.792 17.456 17.166 16.918 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.281 21.283 20.451 19.746 19.143 18.624 18.175 17.787 17.450 17.159 16.912 16.702 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.274 21.276 20.444 19.740 19.137 18.617 18.168 17.779 17.442 17.151 16.902 16.692 16.509 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.266 21.268 20.436 19.731 19.128 18.609 18.160 17.770 17.433 17.141 16.891 16.678 16.495 16.301 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.256 21.257 20.425 19.721 19.118 18.598 18.149 17.759 17.421 17.127 16.875 16.661 16.477 16.300 15.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.248 21.249 20.417 19.712 19.109 18.590 18.140 17.750 17.411 17.117 16.864 16.647 16.461 16.291 16.086 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.237 21.237 20.405 19.701 19.098 18.578 18.128 17.737 17.398 17.103 16.848 16.628 16.438 16.270 16.121 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.226 21.225 20.393 19.689 19.086 18.566 18.116 17.725 17.385 17.089 16.832 16.609 16.416 16.245 16.110 11.838 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.215 21.214 20.382 19.678 19.075 18.555 18.104 17.713 17.372 17.075 16.816 16.591 16.393 16.218 16.083 14.160 12.982 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.204 21.202 20.370 19.666 19.064 18.544 18.093 17.701 17.359 17.062 16.801 16.573 16.372 16.192 16.049 14.717 14.185 13.372 12.229 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.193 21.191 20.359 19.655 19.053 18.533 18.082 17.689 17.347 17.048 16.787 16.556 16.351 16.166 16.013 14.971 14.640 14.185 13.562 12.754 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.183 21.180 20.348 19.644 19.042 18.522 18.070 17.678 17.335 17.035 16.772 16.540 16.331 16.141 15.978 15.117 14.877 14.570 14.174 13.667 13.047 12.348 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.173 21.169 20.337 19.634 19.031 18.511 18.059 17.666 17.323 17.023 16.759 16.524 16.313 16.118 15.945 15.210 15.020 14.790 14.506 14.156 13.729 13.228 12.670 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.162 21.158 20.326 19.623 19.020 18.500 18.049 17.655 17.311 17.010 16.745 16.509 16.296 16.098 15.916 15.273 15.115 14.930 14.710 14.448 14.134 13.766 13.346 12.884 12.401 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.152 21.147 20.316 19.612 19.010 18.490 18.038 17.644 17.300 16.998 16.732 16.495 16.279 16.078 15.890 15.317 15.180 15.024 14.845 14.636 14.393 14.111 13.787 13.426 13.033 12.622 12.203 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.142 21.137 20.305 19.602 18.999 18.479 18.027 17.633 17.288 16.986 16.719 16.481 16.264 16.061 15.868 15.347 15.226 15.091 14.938 14.765 14.568 14.342 14.086 13.798 13.481 13.140 12.782 12.415 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.133 21.126 20.294 19.591 18.989 18.469 18.017 17.622 17.277 16.974 16.707 16.468 16.250 16.046 15.849 15.369 15.259 15.139 15.006 14.858 14.691 14.504 14.294 14.060 13.801 13.519 13.218 12.902 12.576 12.244 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.123 21.116 20.284 19.581 18.979 18.459 18.007 17.612 17.266 16.963 16.695 16.455 16.236 16.032 15.834 15.385 15.283 15.174 15.055 14.925 14.781 14.622 14.445 14.249 14.034 13.798 13.545 13.275 12.993 12.700 12.401 99999.999 99999.999 99999.999 99999.999 99999.999 22.113 21.106 20.274 19.571 18.969 18.449 17.996 17.601 17.255 16.951 16.683 16.442 16.223 16.019 15.821 15.395 15.300 15.200 15.092 14.975 14.848 14.710 14.557 14.390 14.207 14.007 13.792 13.562 13.318 13.063 12.798 12.526 12.248 99999.999 99999.999 99999.999 22.104 21.095 20.263 19.561 18.959 18.439 17.986 17.591 17.245 16.940 16.671 16.430 16.211 16.007 15.810 15.402 15.312 15.219 15.119 15.013 14.899 14.776 14.642 14.496 14.338 14.166 13.981 13.783 13.572 13.350 13.117 12.876 12.627 12.372 99999.999 99999.999 22.095 21.085 20.253 19.551 18.949 18.429 17.976 17.581 17.234 16.929 16.660 16.419 16.200 15.996 15.801 15.405 15.320 15.232 15.140 15.042 14.938 14.826 14.707 14.578 14.439 14.289 14.128 13.956 13.772 13.578 13.373 13.160 12.939 12.711 12.476 12.235 22.085 21.075 20.243 19.541 18.939 18.419 17.967 17.571 17.224 16.918 16.648 16.407 16.188 15.985 15.792 15.406 15.325 15.242 15.154 15.063 14.967 14.865 14.757 14.641 14.517 14.385 14.243 14.091 13.930 13.759 13.580 13.391 13.195 12.991 12.780 12.563 21.998 20.981 20.148 19.447 18.846 18.327 17.874 17.476 17.127 16.818 16.544 16.299 16.079 15.879 15.694 15.356 15.291 15.227 15.164 15.101 15.038 14.975 14.911 14.848 14.783 14.718 14.652 14.584 14.516 14.445 14.374 14.300 14.225 14.147 14.068 13.986 21.920 20.893 20.060 19.359 18.760 18.242 17.789 17.391 17.039 16.728 16.451 16.203 15.980 15.779 15.595 15.268 15.207 15.148 15.091 15.034 14.979 14.925 14.872 14.820 14.768 14.718 14.668 14.618 14.570 14.521 14.474 14.426 14.379 14.333 14.286 14.240 21.848 20.812 19.977 19.278 18.680 18.162 17.710 17.312 16.960 16.646 16.367 16.116 15.891 15.687 15.502 15.176 15.116 15.059 15.003 14.948 14.896 14.844 14.794 14.745 14.698 14.651 14.606 14.562 14.519 14.478 14.437 14.397 14.359 14.321 14.285 14.249 21.781 20.736 19.899 19.201 18.604 18.088 17.636 17.239 16.886 16.571 16.290 16.037 15.809 15.603 15.416 15.088 15.028 14.971 14.915 14.861 14.808 14.758 14.708 14.660 14.614 14.569 14.525 14.483 14.442 14.402 14.364 14.326 14.290 14.256 14.222 14.189 21.718 20.663 19.825 19.127 18.532 18.017 17.566 17.169 16.816 16.501 16.219 15.964 15.734 15.526 15.337 15.005 14.945 14.887 14.831 14.777 14.724 14.673 14.624 14.576 14.529 14.485 14.441 14.399 14.358 14.319 14.281 14.244 14.209 14.174 14.141 14.110 21.658 20.593 19.754 19.057 18.463 17.949 17.500 17.103 16.750 16.435 16.152 15.896 15.665 15.455 15.264 14.928 14.868 14.809 14.752 14.698 14.645 14.593 14.543 14.495 14.448 14.403 14.359 14.317 14.276 14.236 14.198 14.161 14.125 14.091 14.058 14.026 21.601 20.526 19.685 18.989 18.396 17.884 17.435 17.040 16.688 16.373 16.089 15.833 15.600 15.388 15.195 14.857 14.795 14.736 14.679 14.624 14.570 14.518 14.468 14.419 14.371 14.326 14.281 14.239 14.197 14.157 14.118 14.081 14.045 14.010 13.976 13.944 99999.999 20.461 19.619 18.923 18.331 17.820 17.373 16.979 16.627 16.313 16.029 15.772 15.539 15.326 15.132 14.790 14.728 14.668 14.610 14.554 14.500 14.448 14.397 14.347 14.299 14.253 14.208 14.165 14.123 14.082 14.043 14.005 13.968 13.933 13.899 13.866 Mn+3 Mn(+3) P-T:All Charge = 3. Radius(Å) = 3.46 Alk. = 0.000 Ref: Shock07 4 1.000 1 0.250 31 1.000 14 -0.500 2 3.282 4.008 4.661 5.246 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.282 4.008 4.661 5.246 5.776 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.282 4.007 4.660 5.246 5.776 6.261 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.281 4.006 4.659 5.245 5.775 6.260 6.709 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.279 4.005 4.657 5.243 5.773 6.258 6.707 7.128 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.277 4.002 4.655 5.241 5.771 6.256 6.705 7.125 7.524 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.273 3.998 4.651 5.237 5.767 6.252 6.701 7.121 7.520 7.902 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.267 3.992 4.645 5.231 5.762 6.247 6.695 7.116 7.514 7.895 8.269 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.259 3.985 4.638 5.224 5.754 6.239 6.688 7.108 7.505 7.887 8.259 8.628 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.249 3.974 4.628 5.214 5.745 6.229 6.678 7.098 7.494 7.875 8.245 8.613 8.977 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.235 3.961 4.614 5.201 5.732 6.217 6.665 7.084 7.480 7.859 8.228 8.592 8.954 9.290 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.218 3.943 4.597 5.184 5.715 6.200 6.648 7.067 7.462 7.840 8.206 8.566 8.924 9.271 9.499 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.205 3.930 4.584 5.172 5.703 6.188 6.636 7.054 7.448 7.825 8.189 8.546 8.900 9.248 9.568 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.186 3.911 4.565 5.153 5.685 6.170 6.617 7.035 7.429 7.804 8.165 8.518 8.866 9.211 9.570 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.167 3.892 4.547 5.135 5.667 6.152 6.600 7.017 7.410 7.783 8.142 8.491 8.833 9.171 9.534 6.503 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.149 3.873 4.529 5.117 5.649 6.135 6.582 6.999 7.391 7.763 8.120 8.465 8.801 9.131 9.485 8.558 7.669 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.131 3.855 4.511 5.100 5.632 6.117 6.565 6.981 7.372 7.743 8.098 8.440 8.770 9.092 9.432 9.036 8.721 8.156 7.308 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.112 3.836 4.493 5.082 5.615 6.100 6.547 6.963 7.354 7.724 8.077 8.415 8.740 9.054 9.379 9.246 9.107 8.858 8.459 7.902 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.094 3.818 4.475 5.065 5.598 6.084 6.530 6.946 7.336 7.705 8.056 8.391 8.712 9.019 9.329 9.359 9.301 9.182 8.982 8.683 8.287 7.828 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.077 3.800 4.457 5.048 5.581 6.067 6.514 6.929 7.318 7.686 8.036 8.369 8.685 8.986 9.283 9.427 9.412 9.360 9.258 9.095 8.865 8.569 8.227 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.059 3.782 4.440 5.031 5.565 6.050 6.497 6.912 7.301 7.668 8.016 8.347 8.660 8.956 9.242 9.469 9.481 9.468 9.421 9.335 9.202 9.021 8.792 8.530 8.249 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.041 3.764 4.422 5.014 5.548 6.034 6.481 6.895 7.284 7.650 7.997 8.326 8.636 8.928 9.205 9.494 9.525 9.536 9.525 9.485 9.413 9.304 9.159 8.979 8.772 8.548 8.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.024 3.747 4.405 4.997 5.532 6.018 6.465 6.879 7.267 7.632 7.978 8.305 8.614 8.902 9.172 9.509 9.553 9.581 9.593 9.583 9.550 9.490 9.402 9.284 9.140 8.974 8.792 8.601 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.007 3.730 4.388 4.981 5.516 6.002 6.449 6.863 7.250 7.615 7.960 8.286 8.593 8.879 9.144 9.517 9.570 9.611 9.638 9.650 9.644 9.617 9.568 9.495 9.400 9.283 9.147 8.998 8.838 8.671 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.990 3.712 4.371 4.964 5.500 5.986 6.433 6.847 7.233 7.598 7.942 8.267 8.572 8.857 9.119 9.519 9.579 9.629 9.669 9.696 9.708 9.705 9.684 9.644 9.586 9.508 9.412 9.301 9.176 9.041 8.897 99999.999 99999.999 99999.999 99999.999 99999.999 2.973 3.695 4.355 4.948 5.484 5.971 6.417 6.831 7.217 7.581 7.924 8.248 8.553 8.837 9.098 9.517 9.582 9.640 9.688 9.727 9.753 9.767 9.767 9.752 9.720 9.673 9.609 9.531 9.439 9.334 9.219 9.095 8.962 99999.999 99999.999 99999.999 2.956 3.678 4.338 4.932 5.468 5.955 6.402 6.815 7.201 7.564 7.907 8.230 8.534 8.818 9.079 9.512 9.582 9.645 9.701 9.747 9.785 9.811 9.827 9.830 9.819 9.795 9.757 9.706 9.641 9.564 9.476 9.378 9.270 9.154 99999.999 99999.999 2.939 3.661 4.322 4.916 5.452 5.940 6.386 6.800 7.185 7.548 7.890 8.213 8.517 8.800 9.062 9.505 9.579 9.646 9.707 9.760 9.806 9.843 9.870 9.887 9.893 9.887 9.869 9.840 9.798 9.745 9.681 9.606 9.522 9.429 9.327 9.216 2.923 3.644 4.305 4.900 5.437 5.924 6.371 6.784 7.170 7.532 7.873 8.195 8.499 8.783 9.045 9.496 9.573 9.644 9.709 9.768 9.820 9.864 9.901 9.929 9.947 9.956 9.954 9.942 9.920 9.886 9.843 9.790 9.727 9.655 9.574 9.485 2.764 3.483 4.148 4.748 5.288 5.779 6.227 6.639 7.022 7.380 7.717 8.034 8.334 8.617 8.883 9.365 9.453 9.539 9.622 9.702 9.780 9.855 9.927 9.996 10.063 10.126 10.187 10.244 10.298 10.349 10.397 10.441 10.481 10.518 10.551 10.580 2.615 3.332 4.000 4.604 5.149 5.643 6.093 6.506 6.888 7.244 7.577 7.891 8.187 8.466 8.730 9.215 9.306 9.394 9.481 9.565 9.648 9.729 9.808 9.885 9.961 10.035 10.107 10.178 10.247 10.315 10.381 10.445 10.508 10.570 10.630 10.689 2.473 3.187 3.860 4.469 5.018 5.515 5.967 6.382 6.764 7.118 7.449 7.760 8.053 8.329 8.591 9.072 9.163 9.251 9.338 9.423 9.507 9.589 9.669 9.748 9.826 9.902 9.977 10.051 10.123 10.195 10.266 10.335 10.404 10.472 10.539 10.605 2.338 3.049 3.725 4.339 4.892 5.393 5.848 6.265 6.648 7.002 7.331 7.640 7.930 8.204 8.462 8.939 9.029 9.117 9.203 9.288 9.371 9.452 9.532 9.611 9.689 9.765 9.840 9.914 9.988 10.060 10.131 10.202 10.271 10.340 10.409 10.476 2.207 2.916 3.595 4.214 4.772 5.276 5.735 6.153 6.537 6.892 7.221 7.528 7.816 8.087 8.344 8.816 8.905 8.992 9.077 9.161 9.243 9.324 9.403 9.481 9.558 9.634 9.709 9.782 9.855 9.927 9.997 10.067 10.137 10.205 10.273 10.341 2.081 2.787 3.470 4.093 4.655 5.164 5.625 6.046 6.432 6.787 7.117 7.423 7.710 7.979 8.233 8.701 8.789 8.875 8.960 9.043 9.124 9.204 9.283 9.360 9.436 9.511 9.585 9.657 9.729 9.800 9.870 9.939 10.008 10.076 10.143 10.209 1.957 2.661 3.348 3.975 4.542 5.055 5.519 5.943 6.331 6.687 7.017 7.324 7.610 7.878 8.130 8.594 8.681 8.767 8.850 8.933 9.013 9.092 9.170 9.247 9.322 9.396 9.469 9.541 9.612 9.682 9.751 9.819 9.887 9.954 10.020 10.085 99999.999 2.538 3.228 3.861 4.432 4.949 5.417 5.843 6.233 6.591 6.922 7.229 7.514 7.782 8.033 8.494 8.580 8.665 8.748 8.829 8.909 8.988 9.065 9.141 9.215 9.288 9.361 9.432 9.502 9.571 9.639 9.707 9.774 9.840 9.905 9.970 MnF+ MnF(1) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 2 1.000 23 1.000 14 -0.900 -0.880 -0.953 -1.076 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.900 -0.880 -0.953 -1.076 -1.234 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.900 -0.880 -0.953 -1.076 -1.234 -1.418 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-3.383 -3.778 -4.273 -4.404 -4.534 -4.665 -4.807 -4.979 -5.213 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.839 -0.827 -0.898 -1.015 -1.163 -1.333 -1.522 -1.728 -1.950 -2.189 -2.445 -2.719 -3.013 -3.333 -3.700 -4.225 -4.357 -4.489 -4.623 -4.761 -4.909 -5.081 -5.291 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.835 -0.823 -0.894 -1.011 -1.157 -1.326 -1.514 -1.718 -1.938 -2.174 -2.426 -2.694 -2.980 -3.287 -3.630 -4.178 -4.308 -4.440 -4.574 -4.711 -4.853 -5.004 -5.173 -5.368 -5.597 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.831 -0.819 -0.890 -1.006 -1.152 -1.320 -1.506 -1.708 -1.926 -2.159 -2.407 -2.670 -2.949 -3.245 -3.569 -4.131 -4.260 -4.391 -4.523 -4.659 -4.797 -4.941 -5.093 -5.259 -5.442 -5.646 -5.872 99999.999 99999.999 99999.999 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-4.327 -4.453 -4.581 -4.711 -4.844 -4.979 -5.116 -5.256 -5.400 -5.546 -5.695 -5.846 -5.998 -6.149 -6.298 99999.999 99999.999 99999.999 -0.814 -0.802 -0.871 -0.985 -1.127 -1.290 -1.469 -1.663 -1.871 -2.092 -2.324 -2.568 -2.822 -3.085 -3.356 -3.922 -4.040 -4.160 -4.282 -4.405 -4.531 -4.659 -4.788 -4.920 -5.053 -5.189 -5.327 -5.467 -5.608 -5.750 -5.893 -6.034 -6.173 -6.309 99999.999 99999.999 -0.811 -0.799 -0.868 -0.981 -1.122 -1.284 -1.462 -1.655 -1.861 -2.079 -2.309 -2.550 -2.801 -3.060 -3.327 -3.885 -4.001 -4.119 -4.238 -4.360 -4.483 -4.608 -4.735 -4.863 -4.994 -5.126 -5.260 -5.394 -5.530 -5.667 -5.803 -5.938 -6.071 -6.200 -6.324 -6.443 -0.809 -0.796 -0.865 -0.977 -1.118 -1.279 -1.456 -1.647 -1.851 -2.067 -2.295 -2.533 -2.781 -3.036 -3.299 -3.849 -3.963 -4.079 -4.196 -4.315 -4.436 -4.559 -4.683 -4.809 -4.937 -5.066 -5.196 -5.327 -5.459 -5.591 -5.723 -5.853 -5.982 -6.107 -6.228 -6.344 -0.790 -0.773 -0.836 -0.943 -1.077 -1.230 -1.396 -1.575 -1.764 -1.962 -2.169 -2.384 -2.606 -2.833 -3.066 -3.547 -3.646 -3.745 -3.846 -3.947 -4.050 -4.154 -4.258 -4.364 -4.471 -4.579 -4.687 -4.797 -4.907 -5.018 -5.129 -5.240 -5.351 -5.462 -5.572 -5.681 -0.786 -0.759 -0.816 -0.917 -1.044 -1.189 -1.348 -1.516 -1.693 -1.877 -2.068 -2.265 -2.468 -2.675 -2.885 -3.317 -3.405 -3.494 -3.583 -3.672 -3.763 -3.854 -3.946 -4.038 -4.131 -4.225 -4.320 -4.415 -4.511 -4.608 -4.705 -4.803 -4.902 -5.000 -5.100 -5.199 -0.792 -0.753 -0.802 -0.896 -1.018 -1.156 -1.307 -1.467 -1.634 -1.807 -1.985 -2.168 -2.355 -2.546 -2.739 -3.133 -3.213 -3.293 -3.374 -3.455 -3.537 -3.619 -3.701 -3.784 -3.867 -3.951 -4.036 -4.121 -4.206 -4.292 -4.379 -4.466 -4.554 -4.642 -4.731 -4.821 -0.807 -0.753 -0.794 -0.881 -0.996 -1.129 -1.273 -1.425 -1.584 -1.748 -1.916 -2.087 -2.261 -2.438 -2.618 -2.981 -3.055 -3.129 -3.203 -3.277 -3.351 -3.426 -3.502 -3.577 -3.653 -3.729 -3.806 -3.883 -3.961 -4.039 -4.117 -4.196 -4.276 -4.356 -4.436 -4.517 -0.828 -0.757 -0.789 -0.870 -0.979 -1.106 -1.244 -1.390 -1.542 -1.697 -1.856 -2.018 -2.182 -2.347 -2.515 -2.853 -2.922 -2.990 -3.059 -3.127 -3.196 -3.265 -3.335 -3.405 -3.474 -3.545 -3.615 -3.686 -3.757 -3.829 -3.901 -3.973 -4.046 -4.119 -4.193 -4.267 -0.855 -0.766 -0.789 -0.862 -0.965 -1.086 -1.219 -1.359 -1.505 -1.653 -1.805 -1.958 -2.113 -2.269 -2.426 -2.744 -2.807 -2.871 -2.935 -3.000 -3.064 -3.128 -3.193 -3.258 -3.323 -3.388 -3.454 -3.520 -3.586 -3.652 -3.719 -3.786 -3.853 -3.921 -3.989 -4.058 -0.886 -0.778 -0.791 -0.858 -0.955 -1.070 -1.198 -1.333 -1.472 -1.615 -1.760 -1.906 -2.053 -2.201 -2.350 -2.649 -2.709 -2.769 -2.829 -2.889 -2.950 -3.010 -3.071 -3.131 -3.192 -3.254 -3.315 -3.377 -3.438 -3.501 -3.563 -3.626 -3.689 -3.752 -3.816 -3.880 99999.999 -0.792 -0.796 -0.856 -0.947 -1.057 -1.179 -1.309 -1.444 -1.581 -1.720 -1.860 -2.001 -2.142 -2.283 -2.565 -2.622 -2.679 -2.736 -2.793 -2.850 -2.907 -2.964 -3.021 -3.079 -3.137 -3.194 -3.252 -3.311 -3.369 -3.428 -3.487 -3.547 -3.606 -3.666 -3.727 MnO,aq MnO(+0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 2.000 Ref: Shock07 3 -2.000 1 1.000 14 1.000 2 24.196 22.201 20.552 19.169 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.196 22.201 20.552 19.169 17.993 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.196 22.201 20.552 19.169 17.993 16.980 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.195 22.200 20.551 19.168 17.992 16.979 16.097 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.194 22.199 20.551 19.168 17.992 16.979 16.096 15.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.192 22.198 20.549 19.166 17.991 16.978 16.096 15.317 14.623 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.190 22.195 20.547 19.164 17.989 16.977 16.095 15.317 14.623 13.995 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.186 22.192 20.544 19.162 17.987 16.975 16.093 15.316 14.622 13.995 13.418 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.181 22.187 20.540 19.158 17.983 16.972 16.091 15.315 14.622 13.996 13.420 12.878 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.174 22.181 20.534 19.153 17.979 16.969 16.089 15.313 14.622 13.997 13.423 12.885 12.371 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.164 22.172 20.527 19.146 17.973 16.964 16.085 15.311 14.621 13.998 13.427 12.893 12.384 11.901 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.153 22.162 20.517 19.138 17.966 16.958 16.080 15.307 14.620 14.000 13.432 12.903 12.401 11.918 11.500 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.143 22.153 20.509 19.131 17.960 16.953 16.076 15.305 14.618 14.000 13.435 12.911 12.414 11.935 11.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.130 22.141 20.499 19.122 17.952 16.946 16.071 15.301 14.617 14.001 13.440 12.920 12.432 11.962 11.476 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.117 22.129 20.488 19.112 17.943 16.939 16.065 15.297 14.615 14.001 13.444 12.930 12.448 11.989 11.511 13.174 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.103 22.117 20.477 19.102 17.935 16.932 16.059 15.293 14.612 14.001 13.447 12.938 12.464 12.014 11.553 11.893 12.388 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.090 22.105 20.466 19.093 17.926 16.924 16.054 15.289 14.610 14.001 13.450 12.945 12.478 12.039 11.595 11.580 11.723 12.016 12.447 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.077 22.093 20.455 19.083 17.918 16.917 16.048 15.284 14.607 14.000 13.452 12.951 12.490 12.060 11.635 11.440 11.472 11.574 11.764 12.032 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.063 22.081 20.444 19.073 17.909 16.910 16.042 15.280 14.604 14.000 13.454 12.957 12.502 12.080 11.671 11.363 11.344 11.365 11.437 11.566 11.743 11.935 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.050 22.068 20.433 19.063 17.901 16.902 16.035 15.275 14.601 13.999 13.455 12.962 12.511 12.097 11.703 11.316 11.269 11.249 11.260 11.310 11.398 11.519 11.653 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.036 22.056 20.422 19.053 17.892 16.895 16.029 15.270 14.598 13.997 13.456 12.966 12.520 12.112 11.730 11.285 11.222 11.177 11.154 11.158 11.190 11.251 11.334 11.429 11.523 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.023 22.044 20.411 19.043 17.883 16.887 16.023 15.265 14.595 13.996 13.457 12.969 12.527 12.124 11.752 11.265 11.190 11.130 11.086 11.061 11.058 11.077 11.117 11.175 11.243 11.314 11.380 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.009 22.032 20.400 19.034 17.874 16.879 16.017 15.260 14.591 13.994 13.457 12.972 12.533 12.134 11.771 11.251 11.168 11.098 11.040 10.997 10.970 10.961 10.970 10.995 11.034 11.083 11.136 11.190 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.996 22.020 20.389 19.024 17.865 16.872 16.010 15.255 14.587 13.992 13.457 12.974 12.537 12.143 11.785 11.241 11.154 11.075 11.008 10.952 10.910 10.881 10.867 10.868 10.882 10.907 10.942 10.982 11.026 11.071 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.982 22.007 20.378 19.014 17.857 16.864 16.003 15.250 14.584 13.990 13.456 12.975 12.541 12.149 11.796 11.235 11.143 11.060 10.985 10.921 10.867 10.824 10.794 10.776 10.770 10.776 10.792 10.816 10.846 10.882 10.921 99999.999 99999.999 99999.999 99999.999 99999.999 23.969 21.995 20.367 19.004 17.848 16.856 15.997 15.245 14.580 13.987 13.455 12.976 12.544 12.154 11.803 11.231 11.136 11.049 10.969 10.898 10.836 10.784 10.741 10.709 10.688 10.678 10.677 10.685 10.701 10.724 10.753 10.786 10.825 99999.999 99999.999 99999.999 23.955 21.983 20.356 18.994 17.839 16.848 15.990 15.239 14.576 13.985 13.454 12.977 12.546 12.158 11.809 11.229 11.132 11.041 10.958 10.882 10.814 10.754 10.702 10.660 10.627 10.604 10.589 10.584 10.586 10.596 10.613 10.636 10.665 10.700 99999.999 99999.999 23.942 21.970 20.345 18.984 17.830 16.841 15.983 15.234 14.571 13.982 13.453 12.977 12.548 12.160 11.812 11.228 11.129 11.036 10.950 10.870 10.797 10.732 10.674 10.623 10.581 10.547 10.522 10.505 10.495 10.494 10.499 10.511 10.530 10.554 10.585 10.622 23.928 21.958 20.333 18.974 17.821 16.833 15.977 15.228 14.567 13.979 13.452 12.977 12.549 12.163 11.815 11.228 11.128 11.033 10.945 10.862 10.785 10.715 10.652 10.596 10.546 10.505 10.470 10.443 10.424 10.412 10.407 10.408 10.417 10.431 10.452 10.479 23.791 21.834 20.221 18.872 17.730 16.752 15.906 15.168 14.520 13.944 13.430 12.968 12.552 12.176 11.836 11.249 11.145 11.045 10.949 10.857 10.769 10.684 10.603 10.525 10.450 10.379 10.311 10.247 10.186 10.128 10.074 10.023 9.975 9.931 9.890 9.852 23.653 21.710 20.108 18.769 17.637 16.668 15.832 15.104 14.465 13.900 13.397 12.947 12.542 12.176 11.845 11.272 11.170 11.072 10.977 10.885 10.797 10.712 10.630 10.550 10.473 10.399 10.327 10.258 10.191 10.126 10.063 10.002 9.944 9.887 9.832 9.779 23.514 21.585 19.994 18.666 17.542 16.582 15.755 15.035 14.405 13.850 13.357 12.916 12.521 12.165 11.843 11.286 11.187 11.091 10.999 10.910 10.824 10.741 10.660 10.583 10.507 10.435 10.364 10.295 10.229 10.164 10.101 10.040 9.981 9.923 9.866 9.811 23.375 21.459 19.880 18.562 17.447 16.495 15.676 14.965 14.343 13.795 13.311 12.879 12.493 12.145 11.832 11.291 11.194 11.102 11.012 10.926 10.842 10.762 10.684 10.609 10.536 10.466 10.397 10.331 10.266 10.204 10.143 10.084 10.026 9.969 9.914 9.860 23.235 21.334 19.766 18.457 17.351 16.408 15.596 14.892 14.277 13.738 13.261 12.837 12.458 12.119 11.813 11.287 11.193 11.103 11.017 10.933 10.852 10.775 10.699 10.627 10.556 10.488 10.423 10.359 10.297 10.236 10.178 10.121 10.065 10.011 9.958 9.907 23.096 21.209 19.652 18.352 17.255 16.319 15.515 14.818 14.210 13.677 13.207 12.791 12.419 12.087 11.789 11.276 11.185 11.098 11.014 10.933 10.855 10.779 10.707 10.636 10.569 10.503 10.439 10.378 10.318 10.260 10.204 10.150 10.096 10.045 9.994 9.945 22.957 21.084 19.538 18.247 17.158 16.230 15.433 14.743 14.142 13.615 13.152 12.741 12.377 12.051 11.759 11.260 11.171 11.086 11.004 10.926 10.850 10.777 10.707 10.639 10.573 10.510 10.449 10.389 10.332 10.276 10.222 10.170 10.119 10.070 10.021 9.974 99999.999 20.960 19.424 18.142 17.062 16.141 15.351 14.667 14.072 13.552 13.094 12.690 12.331 12.012 11.726 11.238 11.152 11.069 10.990 10.913 10.840 10.769 10.701 10.635 10.572 10.510 10.451 10.394 10.339 10.285 10.233 10.183 10.134 10.086 10.040 9.995 MnOH+ MnOH(+1) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 3 -1.000 1 1.000 14 1.000 2 11.590 10.620 9.806 9.117 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.590 10.620 9.806 9.117 8.527 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.590 10.619 9.806 9.117 8.527 8.016 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.589 10.619 9.805 9.116 8.527 8.016 7.568 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.588 10.618 9.804 9.116 8.526 8.015 7.568 7.170 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.586 10.616 9.803 9.114 8.525 8.014 7.567 7.170 6.813 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.584 10.614 9.801 9.113 8.523 8.013 7.566 7.169 6.813 6.489 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.580 10.611 9.798 9.110 8.521 8.011 7.564 7.167 6.812 6.488 6.188 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.576 10.607 9.794 9.107 8.518 8.008 7.562 7.166 6.810 6.487 6.189 5.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.569 10.601 9.789 9.102 8.514 8.004 7.558 7.163 6.808 6.486 6.189 5.908 5.640 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.561 10.593 9.782 9.095 8.508 7.999 7.554 7.159 6.806 6.485 6.189 5.910 5.645 5.399 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.549 10.583 9.773 9.087 8.501 7.993 7.549 7.155 6.802 6.483 6.189 5.913 5.651 5.402 5.210 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.541 10.575 9.766 9.081 8.495 7.988 7.544 7.151 6.800 6.481 6.189 5.915 5.656 5.408 5.173 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.529 10.564 9.756 9.072 8.487 7.981 7.538 7.146 6.796 6.479 6.188 5.918 5.663 5.419 5.168 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.516 10.553 9.746 9.063 8.478 7.973 7.531 7.141 6.791 6.476 6.187 5.920 5.670 5.430 5.181 6.549 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.504 10.542 9.735 9.053 8.470 7.966 7.525 7.135 6.787 6.473 6.186 5.922 5.675 5.441 5.200 5.584 5.985 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.491 10.531 9.725 9.044 8.462 7.958 7.518 7.130 6.783 6.470 6.185 5.923 5.680 5.452 5.220 5.345 5.481 5.732 6.096 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.479 10.519 9.715 9.035 8.453 7.951 7.512 7.124 6.778 6.467 6.183 5.924 5.685 5.462 5.240 5.234 5.286 5.392 5.565 5.803 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.466 10.508 9.705 9.026 8.445 7.943 7.505 7.118 6.773 6.463 6.181 5.924 5.688 5.470 5.257 5.169 5.184 5.228 5.311 5.438 5.604 5.790 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.454 10.497 9.695 9.016 8.437 7.936 7.498 7.113 6.769 6.459 6.179 5.924 5.691 5.476 5.272 5.127 5.121 5.134 5.170 5.236 5.331 5.454 5.591 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.441 10.486 9.684 9.007 8.428 7.928 7.492 7.107 6.764 6.456 6.177 5.923 5.692 5.482 5.285 5.098 5.078 5.073 5.083 5.113 5.165 5.239 5.332 5.436 5.543 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.429 10.474 9.674 8.998 8.420 7.920 7.485 7.101 6.759 6.452 6.174 5.922 5.694 5.486 5.295 5.076 5.048 5.030 5.025 5.033 5.057 5.098 5.156 5.228 5.309 5.395 5.480 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.416 10.463 9.664 8.988 8.411 7.913 7.478 7.095 6.754 6.448 6.171 5.921 5.694 5.489 5.302 5.060 5.026 5.000 4.983 4.977 4.983 5.002 5.035 5.080 5.137 5.202 5.272 5.343 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.404 10.452 9.654 8.979 8.402 7.905 7.471 7.089 6.749 6.444 6.168 5.919 5.694 5.490 5.307 5.047 5.009 4.977 4.953 4.937 4.930 4.934 4.948 4.974 5.010 5.055 5.108 5.165 5.226 5.288 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.391 10.441 9.643 8.969 8.394 7.897 7.464 7.083 6.744 6.440 6.165 5.917 5.693 5.491 5.310 5.037 4.995 4.959 4.929 4.906 4.891 4.884 4.885 4.896 4.916 4.945 4.981 5.024 5.072 5.124 5.179 99999.999 99999.999 99999.999 99999.999 99999.999 11.379 10.429 9.633 8.960 8.385 7.889 7.457 7.077 6.738 6.435 6.162 5.915 5.691 5.490 5.311 5.029 4.984 4.945 4.911 4.883 4.861 4.846 4.838 4.838 4.845 4.861 4.883 4.913 4.948 4.989 5.034 5.082 5.134 99999.999 99999.999 99999.999 11.366 10.418 9.623 8.951 8.377 7.882 7.450 7.070 6.733 6.431 6.158 5.912 5.690 5.489 5.310 5.022 4.976 4.934 4.897 4.864 4.837 4.816 4.801 4.793 4.791 4.796 4.807 4.825 4.850 4.879 4.914 4.953 4.996 5.042 99999.999 99999.999 11.354 10.406 9.612 8.941 8.368 7.874 7.443 7.064 6.728 6.426 6.155 5.909 5.688 5.488 5.309 5.016 4.968 4.925 4.885 4.849 4.819 4.793 4.773 4.758 4.748 4.745 4.748 4.756 4.771 4.790 4.815 4.845 4.879 4.917 4.959 5.005 11.341 10.395 9.602 8.932 8.359 7.866 7.436 7.058 6.722 6.422 6.151 5.906 5.685 5.486 5.307 5.011 4.962 4.917 4.875 4.837 4.804 4.774 4.750 4.730 4.715 4.705 4.700 4.701 4.707 4.718 4.734 4.755 4.781 4.810 4.844 4.882 11.215 10.281 9.498 8.836 8.272 7.786 7.363 6.993 6.665 6.372 6.110 5.873 5.658 5.464 5.288 4.985 4.931 4.880 4.831 4.784 4.740 4.697 4.657 4.618 4.582 4.547 4.515 4.484 4.456 4.430 4.406 4.384 4.364 4.346 4.330 4.317 11.088 10.167 9.393 8.740 8.184 7.705 7.289 6.925 6.604 6.318 6.063 5.833 5.625 5.436 5.265 4.967 4.914 4.863 4.814 4.766 4.721 4.676 4.634 4.593 4.553 4.515 4.478 4.442 4.408 4.375 4.343 4.312 4.282 4.253 4.226 4.199 10.960 10.052 9.289 8.644 8.094 7.622 7.213 6.855 6.540 6.261 6.012 5.788 5.586 5.403 5.237 4.948 4.896 4.847 4.798 4.752 4.707 4.663 4.621 4.580 4.541 4.503 4.466 4.429 4.394 4.360 4.327 4.295 4.263 4.233 4.203 4.173 10.833 9.937 9.184 8.547 8.005 7.539 7.136 6.784 6.475 6.201 5.958 5.740 5.544 5.366 5.205 4.925 4.875 4.827 4.780 4.735 4.691 4.649 4.608 4.569 4.530 4.493 4.457 4.422 4.387 4.354 4.321 4.290 4.258 4.228 4.198 4.169 10.705 9.823 9.079 8.450 7.915 7.456 7.058 6.712 6.408 6.140 5.902 5.689 5.498 5.326 5.170 4.899 4.850 4.804 4.758 4.715 4.673 4.632 4.592 4.554 4.517 4.481 4.446 4.412 4.379 4.347 4.316 4.285 4.255 4.226 4.197 4.169 10.578 9.708 8.974 8.354 7.826 7.372 6.981 6.640 6.341 6.078 5.844 5.636 5.450 5.283 5.131 4.869 4.822 4.777 4.733 4.691 4.651 4.611 4.573 4.536 4.501 4.466 4.432 4.400 4.368 4.337 4.307 4.278 4.249 4.221 4.193 4.167 10.452 9.595 8.870 8.257 7.736 7.289 6.903 6.567 6.273 6.014 5.786 5.582 5.400 5.237 5.090 4.836 4.791 4.747 4.705 4.665 4.625 4.587 4.551 4.515 4.481 4.448 4.415 4.384 4.354 4.324 4.295 4.267 4.240 4.213 4.187 4.161 99999.999 9.482 8.766 8.161 7.646 7.206 6.825 6.494 6.205 5.951 5.726 5.527 5.349 5.190 5.047 4.801 4.757 4.715 4.674 4.635 4.597 4.561 4.525 4.491 4.458 4.426 4.395 4.365 4.336 4.308 4.280 4.253 4.227 4.201 4.176 4.152 MnO2-2 MnO2(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 4.000 Ref: Shock07 3 -4.000 1 1.000 14 2.000 2 52.153 48.287 45.168 42.609 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.153 48.287 45.168 42.609 40.490 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.153 48.286 45.167 42.609 40.489 38.720 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.151 48.285 45.166 42.607 40.488 38.719 37.239 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.149 48.283 45.163 42.605 40.485 38.717 37.237 35.998 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.144 48.279 45.160 42.602 40.482 38.713 37.233 35.994 34.962 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.138 48.273 45.154 42.597 40.477 38.708 37.227 35.988 34.956 34.108 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.129 48.265 45.147 42.589 40.469 38.700 37.219 35.979 34.946 34.097 33.420 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.117 48.254 45.136 42.579 40.459 38.690 37.208 35.967 34.933 34.081 33.401 32.895 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.100 48.239 45.122 42.565 40.445 38.676 37.193 35.952 34.915 34.061 33.376 32.861 32.543 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.079 48.219 45.103 42.547 40.427 38.657 37.174 35.931 34.893 34.035 33.344 32.819 32.478 32.405 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.051 48.194 45.079 42.523 40.404 38.634 37.150 35.905 34.864 34.002 33.304 32.767 32.402 32.266 32.650 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.029 48.174 45.060 42.505 40.386 38.616 37.131 35.885 34.842 33.977 33.274 32.728 32.347 32.173 32.387 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.998 48.146 45.034 42.479 40.360 38.589 37.104 35.856 34.810 33.941 33.232 32.675 32.274 32.058 32.136 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.968 48.118 45.007 42.453 40.334 38.564 37.077 35.828 34.780 33.907 33.192 32.624 32.206 31.956 31.948 35.130 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.937 48.089 44.980 42.428 40.309 38.538 37.051 35.800 34.749 33.873 33.152 32.576 32.143 31.866 31.795 32.814 33.923 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.906 48.061 44.954 42.402 40.284 38.512 37.024 35.772 34.720 33.840 33.114 32.530 32.084 31.783 31.664 32.160 32.633 33.418 34.643 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.876 48.033 44.927 42.376 40.258 38.487 36.998 35.745 34.690 33.808 33.077 32.486 32.028 31.707 31.550 31.793 32.065 32.479 33.096 33.969 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.845 48.006 44.901 42.351 40.233 38.462 36.972 35.718 34.661 33.776 33.041 32.443 31.975 31.637 31.448 31.538 31.712 31.971 32.341 32.854 33.533 34.373 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.815 47.978 44.875 42.325 40.208 38.436 36.947 35.691 34.633 33.744 33.006 32.402 31.924 31.572 31.356 31.340 31.457 31.632 31.878 32.213 32.654 33.211 33.879 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.785 47.950 44.849 42.300 40.183 38.412 36.921 35.664 34.604 33.714 32.971 32.362 31.876 31.510 31.272 31.178 31.257 31.379 31.553 31.787 32.093 32.480 32.952 33.505 34.123 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.755 47.922 44.822 42.275 40.158 38.387 36.896 35.638 34.577 33.684 32.938 32.323 31.830 31.453 31.196 31.041 31.092 31.178 31.303 31.474 31.697 31.979 32.324 32.734 33.203 33.722 34.276 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.724 47.895 44.796 42.250 40.134 38.362 36.871 35.612 34.549 33.654 32.905 32.286 31.786 31.399 31.125 30.920 30.951 31.010 31.101 31.228 31.396 31.608 31.869 32.181 32.542 32.949 33.394 33.867 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.695 47.867 44.770 42.225 40.109 38.337 36.846 35.586 34.522 33.624 32.872 32.249 31.743 31.347 31.060 30.812 30.827 30.866 30.931 31.027 31.155 31.319 31.521 31.763 32.046 32.369 32.727 33.115 33.525 33.949 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.665 47.840 44.744 42.200 40.085 38.313 36.821 35.560 34.495 33.595 32.841 32.214 31.702 31.298 30.999 30.715 30.716 30.739 30.785 30.856 30.954 31.082 31.242 31.434 31.660 31.920 32.211 32.530 32.872 33.232 33.603 99999.999 99999.999 99999.999 99999.999 99999.999 51.635 47.813 44.719 42.175 40.060 38.288 36.796 35.535 34.468 33.567 32.810 32.179 31.663 31.252 30.942 30.626 30.616 30.625 30.655 30.707 30.783 30.884 31.011 31.165 31.348 31.560 31.799 32.063 32.350 32.655 32.975 33.303 33.637 99999.999 99999.999 99999.999 51.605 47.785 44.693 42.150 40.036 38.264 36.772 35.510 34.442 33.539 32.779 32.145 31.624 31.207 30.888 30.544 30.524 30.522 30.539 30.576 30.633 30.712 30.814 30.940 31.089 31.264 31.462 31.683 31.924 32.184 32.459 32.745 33.039 33.336 99999.999 99999.999 51.576 47.758 44.667 42.125 40.011 38.240 36.747 35.485 34.415 33.511 32.749 32.112 31.587 31.164 30.837 30.467 30.439 30.428 30.434 30.458 30.500 30.562 30.644 30.746 30.869 31.014 31.180 31.366 31.571 31.793 32.030 32.279 32.537 32.801 33.068 33.335 51.546 47.731 44.641 42.100 39.987 38.216 36.723 35.460 34.389 33.483 32.719 32.079 31.550 31.122 30.789 30.395 30.360 30.341 30.338 30.351 30.381 30.428 30.493 30.576 30.678 30.799 30.939 31.097 31.272 31.463 31.668 31.885 32.112 32.347 32.586 32.827 51.256 47.463 44.388 41.857 39.750 37.981 36.487 35.220 34.141 33.223 32.443 31.781 31.223 30.758 30.377 29.837 29.762 29.697 29.643 29.599 29.565 29.541 29.527 29.522 29.526 29.540 29.563 29.595 29.635 29.684 29.741 29.805 29.877 29.955 30.039 30.130 50.973 47.201 44.141 41.620 39.519 37.754 36.262 34.992 33.910 32.984 32.193 31.518 30.942 30.455 30.047 29.432 29.339 29.254 29.178 29.111 29.051 29.000 28.956 28.920 28.891 28.869 28.854 28.845 28.843 28.847 28.857 28.873 28.894 28.920 28.952 28.988 50.696 46.944 43.899 41.388 39.295 37.535 36.044 34.775 33.690 32.761 31.963 31.278 30.691 30.189 29.763 29.103 28.999 28.902 28.814 28.733 28.660 28.594 28.534 28.481 28.435 28.395 28.361 28.332 28.309 28.292 28.279 28.272 28.269 28.271 28.277 28.287 50.425 46.693 43.661 41.161 39.076 37.321 35.833 34.566 33.480 32.548 31.746 31.055 30.460 29.948 29.510 28.819 28.708 28.604 28.507 28.418 28.336 28.260 28.191 28.128 28.071 28.020 27.974 27.933 27.898 27.868 27.842 27.821 27.804 27.792 27.783 27.779 50.158 46.445 43.428 40.938 38.861 37.112 35.628 34.363 33.278 32.345 31.540 30.845 30.244 29.725 29.278 28.566 28.449 28.340 28.238 28.143 28.054 27.972 27.896 27.827 27.762 27.704 27.650 27.602 27.558 27.519 27.485 27.455 27.429 27.408 27.390 27.376 49.895 46.201 43.198 40.719 38.650 36.907 35.428 34.166 33.082 32.149 31.343 30.645 30.041 29.517 29.063 28.336 28.215 28.102 27.995 27.896 27.803 27.716 27.636 27.561 27.492 27.428 27.369 27.315 27.265 27.221 27.180 27.144 27.112 27.084 27.060 27.039 49.634 45.960 42.972 40.504 38.443 36.707 35.233 33.973 32.892 31.960 31.153 30.454 29.847 29.319 28.862 28.122 27.998 27.882 27.773 27.670 27.574 27.484 27.400 27.321 27.248 27.180 27.117 27.059 27.006 26.957 26.912 26.871 26.835 26.802 26.773 26.748 99999.999 45.722 42.748 40.292 38.240 36.510 35.041 33.785 32.707 31.776 30.970 30.270 29.661 29.131 28.670 27.922 27.796 27.678 27.566 27.461 27.363 27.270 27.183 27.102 27.026 26.955 26.889 26.828 26.771 26.719 26.671 26.627 26.587 26.551 26.518 26.489 HMnO2- HMnO2(-1) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 3.000 Ref: Shock07 3 -3.000 1 1.000 14 2.000 2 37.487 34.800 32.577 30.717 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.487 34.800 32.577 30.717 29.144 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.487 34.799 32.576 30.716 29.144 27.803 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.485 34.798 32.575 30.715 29.143 27.802 26.652 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.483 34.796 32.573 30.713 29.141 27.801 26.651 25.659 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.479 34.792 32.570 30.710 29.138 27.798 26.648 25.656 24.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.474 34.787 32.566 30.706 29.134 27.794 26.644 25.652 24.796 24.056 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.466 34.780 32.559 30.700 29.128 27.788 26.638 25.646 24.790 24.050 23.414 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.455 34.770 32.550 30.691 29.119 27.780 26.630 25.638 24.781 24.041 23.404 22.868 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.440 34.757 32.537 30.679 29.108 27.769 26.619 25.627 24.770 24.029 23.391 22.852 22.420 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.421 34.739 32.521 30.664 29.093 27.754 26.605 25.613 24.755 24.013 23.374 22.831 22.391 22.095 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.396 34.717 32.500 30.644 29.074 27.736 26.587 25.595 24.737 23.994 23.353 22.806 22.356 22.029 21.989 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.377 34.699 32.484 30.628 29.059 27.721 26.572 25.581 24.722 23.979 23.336 22.787 22.332 21.987 21.839 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.349 34.674 32.460 30.606 29.038 27.701 26.552 25.561 24.702 23.957 23.313 22.761 22.299 21.937 21.714 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.321 34.649 32.437 30.584 29.017 27.680 26.532 25.540 24.681 23.936 23.290 22.736 22.269 21.894 21.631 23.876 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.293 34.624 32.413 30.562 28.996 27.660 26.512 25.520 24.661 23.915 23.268 22.711 22.240 21.856 21.569 22.145 22.902 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.266 34.599 32.390 30.540 28.975 27.639 26.492 25.500 24.641 23.894 23.246 22.687 22.212 21.821 21.518 21.673 21.956 22.461 23.246 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.238 34.574 32.367 30.518 28.953 27.619 26.472 25.481 24.621 23.874 23.225 22.664 22.186 21.789 21.475 21.422 21.554 21.789 22.165 22.702 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.211 34.549 32.343 30.496 28.932 27.598 26.452 25.461 24.601 23.853 23.203 22.641 22.160 21.759 21.436 21.254 21.315 21.437 21.636 21.932 22.332 22.819 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.183 34.524 32.320 30.474 28.911 27.578 26.432 25.441 24.581 23.833 23.182 22.619 22.135 21.730 21.400 21.130 21.150 21.210 21.321 21.492 21.734 22.048 22.424 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.156 34.499 32.297 30.452 28.890 27.557 26.412 25.421 24.561 23.813 23.162 22.597 22.111 21.701 21.366 21.030 21.023 21.046 21.105 21.206 21.356 21.558 21.813 22.114 22.446 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.128 34.474 32.273 30.430 28.869 27.537 26.392 25.402 24.542 23.793 23.141 22.575 22.087 21.674 21.334 20.948 20.922 20.920 20.945 21.001 21.094 21.225 21.398 21.610 21.857 22.129 22.417 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.101 34.449 32.250 30.408 28.848 27.517 26.372 25.382 24.522 23.773 23.121 22.553 22.064 21.648 21.303 20.877 20.837 20.817 20.818 20.845 20.899 20.983 21.099 21.248 21.428 21.635 21.863 22.105 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.073 34.424 32.227 30.386 28.827 27.497 26.353 25.363 24.503 23.754 23.100 22.532 22.041 21.622 21.273 20.814 20.764 20.730 20.715 20.719 20.746 20.797 20.874 20.977 21.107 21.262 21.438 21.632 21.838 22.051 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.046 34.399 32.204 30.364 28.806 27.477 26.333 25.344 24.484 23.734 23.080 22.511 22.018 21.596 21.243 20.758 20.699 20.655 20.626 20.615 20.622 20.649 20.697 20.767 20.859 20.973 21.108 21.260 21.427 21.604 21.789 99999.999 99999.999 99999.999 99999.999 99999.999 37.019 34.374 32.181 30.342 28.786 27.456 26.313 25.324 24.465 23.715 23.060 22.490 21.995 21.571 21.214 20.708 20.642 20.589 20.550 20.526 20.518 20.526 20.553 20.598 20.662 20.745 20.846 20.963 21.096 21.241 21.395 21.556 21.721 99999.999 99999.999 99999.999 36.991 34.349 32.157 30.320 28.765 27.436 26.294 25.305 24.445 23.696 23.041 22.469 21.973 21.546 21.185 20.661 20.590 20.530 20.483 20.449 20.428 20.423 20.432 20.458 20.500 20.558 20.633 20.723 20.827 20.943 21.070 21.205 21.347 21.492 99999.999 99999.999 36.964 34.324 32.134 30.298 28.744 27.416 26.274 25.286 24.426 23.676 23.021 22.449 21.951 21.522 21.158 20.619 20.542 20.476 20.422 20.380 20.350 20.333 20.329 20.340 20.364 20.403 20.457 20.524 20.604 20.697 20.800 20.911 21.031 21.155 21.284 21.416 36.937 34.299 32.111 30.277 28.723 27.396 26.255 25.267 24.407 23.657 23.002 22.429 21.930 21.498 21.130 20.578 20.498 20.427 20.367 20.318 20.280 20.254 20.240 20.238 20.249 20.272 20.308 20.357 20.418 20.490 20.572 20.664 20.763 20.868 20.979 21.093 36.667 34.053 31.882 30.060 28.517 27.198 26.062 25.078 24.222 23.472 22.815 22.237 21.729 21.284 20.895 20.269 20.166 20.071 19.982 19.899 19.824 19.755 19.693 19.636 19.587 19.543 19.505 19.474 19.448 19.428 19.413 19.404 19.400 19.401 19.407 19.417 36.400 33.809 31.655 29.846 28.313 27.002 25.873 24.894 24.041 23.294 22.637 22.058 21.547 21.096 20.698 20.041 19.929 19.824 19.724 19.631 19.542 19.459 19.382 19.309 19.241 19.178 19.119 19.065 19.015 18.969 18.927 18.889 18.854 18.823 18.796 18.771 36.137 33.568 31.430 29.635 28.112 26.810 25.687 24.714 23.865 23.121 22.466 21.887 21.375 20.922 20.519 19.847 19.732 19.622 19.517 19.418 19.323 19.234 19.149 19.069 18.993 18.921 18.853 18.789 18.729 18.672 18.619 18.569 18.522 18.478 18.436 18.398 35.876 33.329 31.208 29.425 27.913 26.620 25.505 24.537 23.693 22.952 22.300 21.723 21.212 20.757 20.353 19.674 19.556 19.443 19.336 19.234 19.136 19.043 18.955 18.870 18.790 18.714 18.641 18.572 18.506 18.444 18.385 18.329 18.275 18.225 18.177 18.132 35.617 33.093 30.988 29.218 27.717 26.432 25.324 24.363 23.523 22.787 22.138 21.563 21.053 20.600 20.195 19.512 19.393 19.279 19.171 19.067 18.967 18.873 18.782 18.695 18.613 18.534 18.458 18.386 18.318 18.252 18.190 18.130 18.074 18.020 17.968 17.919 35.361 32.859 30.770 29.014 27.523 26.247 25.146 24.191 23.357 22.625 21.979 21.407 20.900 20.447 20.044 19.360 19.240 19.126 19.016 18.912 18.811 18.715 18.624 18.536 18.452 18.371 18.294 18.221 18.150 18.083 18.019 17.957 17.898 17.842 17.788 17.737 35.106 32.627 30.554 28.811 27.331 26.064 24.971 24.022 23.193 22.465 21.823 21.255 20.750 20.299 19.897 19.214 19.094 18.980 18.870 18.765 18.664 18.568 18.475 18.387 18.302 18.221 18.143 18.068 17.997 17.928 17.863 17.800 17.740 17.683 17.628 17.575 99999.999 32.397 30.340 28.610 27.141 25.882 24.797 23.855 23.031 22.308 21.671 21.105 20.603 20.155 19.755 19.074 18.954 18.840 18.730 18.625 18.524 18.427 18.334 18.246 18.160 18.079 18.001 17.925 17.854 17.785 17.718 17.655 17.594 17.536 17.480 17.427 MnO4- MnO4(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 5 -2.375 1 -0.625 6 1.000 14 1.500 2 0.625 4 117.324 106.671 97.660 89.951 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 117.324 106.671 97.660 89.951 83.284 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 117.325 106.672 97.661 89.952 83.285 77.463 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 117.326 106.673 97.662 89.953 83.286 77.464 72.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 117.329 106.676 97.665 89.956 83.289 77.466 72.336 67.779 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 117.334 106.680 97.669 89.959 83.292 77.470 72.339 67.783 63.706 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 117.340 106.687 97.675 89.965 83.298 77.475 72.345 67.788 63.712 60.039 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 117.350 106.696 97.683 89.973 83.306 77.483 72.352 67.796 63.719 60.047 56.715 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 117.362 106.708 97.695 89.985 83.316 77.493 72.363 67.806 63.730 60.058 56.726 53.683 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 117.380 106.724 97.711 89.999 83.331 77.507 72.376 67.820 63.744 60.072 56.742 53.701 50.909 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 117.402 106.746 97.731 90.019 83.349 77.525 72.394 67.837 63.762 60.091 56.763 53.724 50.934 48.383 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 117.430 106.773 97.757 90.043 83.373 77.548 72.416 67.860 63.784 60.115 56.788 53.753 50.968 48.407 46.141 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 117.452 106.794 97.776 90.062 83.391 77.565 72.434 67.877 63.802 60.133 56.808 53.776 50.994 48.432 46.081 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 117.482 106.823 97.804 90.089 83.416 77.590 72.458 67.901 63.826 60.158 56.836 53.807 51.031 48.473 46.087 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 117.513 106.852 97.832 90.115 83.442 77.615 72.482 67.925 63.851 60.183 56.862 53.837 51.067 48.516 46.127 45.206 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 117.542 106.881 97.859 90.141 83.466 77.638 72.505 67.948 63.874 60.208 56.889 53.867 51.102 48.558 46.179 43.445 43.562 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 117.571 106.909 97.886 90.166 83.491 77.662 72.528 67.971 63.897 60.231 56.914 53.895 51.135 48.599 46.234 43.014 42.644 42.502 42.586 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 117.600 106.937 97.912 90.191 83.514 77.685 72.551 67.994 63.920 60.255 56.939 53.923 51.167 48.639 46.289 42.824 42.297 41.886 41.619 41.487 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 117.628 106.964 97.938 90.216 83.538 77.708 72.573 68.016 63.942 60.277 56.963 53.949 51.198 48.676 46.340 42.721 42.122 41.596 41.160 40.823 40.576 40.377 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 117.656 106.990 97.963 90.240 83.561 77.730 72.595 68.037 63.964 60.300 56.986 53.974 51.227 48.711 46.388 42.660 42.021 41.436 40.914 40.461 40.082 39.768 39.495 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 117.683 107.017 97.988 90.264 83.584 77.752 72.616 68.059 63.985 60.321 57.009 53.999 51.254 48.743 46.431 42.623 41.959 41.338 40.767 40.248 39.786 39.381 39.026 38.706 38.404 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 117.710 107.043 98.013 90.287 83.606 77.774 72.637 68.079 64.006 60.343 57.031 54.022 51.280 48.773 46.469 42.601 41.920 41.276 40.673 40.113 39.599 39.133 38.712 38.331 37.982 37.653 37.333 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 117.737 107.068 98.037 90.310 83.628 77.795 72.658 68.100 64.027 60.364 57.052 54.045 51.305 48.800 46.503 42.589 41.896 41.236 40.612 40.025 39.476 38.968 38.499 38.069 37.673 37.306 36.959 36.626 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 117.763 107.094 98.061 90.333 83.650 77.816 72.679 68.120 64.047 60.384 57.073 54.067 51.328 48.825 46.533 42.584 41.881 41.210 40.571 39.965 39.392 38.855 38.352 37.884 37.450 37.045 36.667 36.309 35.967 35.638 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 117.789 107.118 98.085 90.355 83.671 77.836 72.699 68.140 64.067 60.404 57.094 54.088 51.350 48.848 46.559 42.583 41.874 41.195 40.544 39.924 39.334 38.776 38.248 37.753 37.288 36.852 36.443 36.058 35.694 35.347 35.014 99999.999 99999.999 99999.999 99999.999 99999.999 117.814 107.143 98.108 90.377 83.692 77.857 72.719 68.160 64.086 60.424 57.114 54.109 51.371 48.870 46.581 42.586 41.872 41.186 40.527 39.896 39.294 38.720 38.174 37.657 37.169 36.708 36.273 35.864 35.476 35.108 34.758 34.424 34.105 99999.999 99999.999 99999.999 117.840 107.167 98.131 90.399 83.713 77.877 72.738 68.179 64.105 60.443 57.134 54.129 51.391 48.890 46.601 42.592 41.874 41.182 40.517 39.878 39.266 38.680 38.120 37.587 37.081 36.600 36.144 35.713 35.304 34.916 34.547 34.196 33.862 33.543 99999.999 99999.999 117.864 107.191 98.154 90.421 83.734 77.897 72.757 68.198 64.124 60.462 57.153 54.148 51.411 48.909 46.620 42.600 41.879 41.183 40.512 39.867 39.247 38.652 38.082 37.536 37.015 36.519 36.046 35.596 35.169 34.762 34.376 34.008 33.657 33.323 33.005 32.701 117.889 107.215 98.176 90.442 83.754 77.916 72.776 68.216 64.143 60.481 57.172 54.167 51.430 48.928 46.637 42.610 41.885 41.186 40.512 39.861 39.235 38.633 38.054 37.499 36.967 36.457 35.971 35.506 35.063 34.640 34.238 33.854 33.488 33.138 32.805 32.488 118.116 107.434 98.385 90.640 83.943 78.097 72.952 68.389 64.314 60.653 57.345 54.343 51.606 49.102 46.805 42.744 42.007 41.293 40.601 39.930 39.279 38.648 38.035 37.441 36.865 36.305 35.763 35.236 34.725 34.230 33.749 33.283 32.831 32.393 31.968 31.556 118.318 107.631 98.571 90.816 84.111 78.258 73.108 68.541 64.464 60.802 57.495 54.494 51.759 49.256 46.959 42.891 42.151 41.434 40.737 40.062 39.405 38.768 38.148 37.546 36.960 36.391 35.836 35.297 34.772 34.260 33.762 33.277 32.803 32.342 31.893 31.454 118.501 107.808 98.740 90.976 84.263 78.404 73.248 68.677 64.598 60.935 57.628 54.628 51.894 49.392 47.096 43.028 42.288 41.569 40.872 40.195 39.538 38.899 38.277 37.673 37.085 36.513 35.955 35.412 34.883 34.368 33.865 33.374 32.895 32.428 31.972 31.526 118.668 107.971 98.895 91.123 84.402 78.537 73.376 68.801 64.718 61.054 57.747 54.747 52.014 49.514 47.219 43.153 42.413 41.695 40.998 40.321 39.663 39.024 38.402 37.798 37.209 36.636 36.078 35.535 35.005 34.488 33.984 33.492 33.012 32.544 32.086 31.638 118.822 108.122 99.038 91.259 84.531 78.660 73.493 68.914 64.829 61.163 57.855 54.855 52.122 49.624 47.330 43.266 42.526 41.809 41.112 40.436 39.778 39.140 38.518 37.914 37.326 36.753 36.195 35.652 35.122 34.606 34.102 33.610 33.130 32.661 32.204 31.756 118.966 108.263 99.172 91.386 84.651 78.774 73.603 69.020 64.932 61.263 57.954 54.954 52.221 49.723 47.430 43.369 42.630 41.913 41.217 40.541 39.884 39.246 38.625 38.021 37.433 36.861 36.304 35.761 35.232 34.716 34.212 33.721 33.242 32.774 32.316 31.869 119.101 108.397 99.298 91.505 84.764 78.882 73.706 69.119 65.028 61.357 58.046 55.045 52.312 49.814 47.523 43.463 42.725 42.008 41.312 40.637 39.981 39.343 38.722 38.119 37.532 36.960 36.404 35.861 35.333 34.817 34.315 33.824 33.345 32.878 32.421 31.975 99999.999 108.523 99.418 91.618 84.871 78.983 73.803 69.212 65.118 61.445 58.132 55.130 52.397 49.899 47.607 43.550 42.812 42.096 41.400 40.725 40.069 39.432 38.812 38.209 37.623 37.052 36.495 35.954 35.426 34.911 34.409 33.919 33.440 32.974 32.517 32.072 MnO4- MnO4(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 4 -3.000 1 1.000 14 1.500 2 1.250 31 22.262 20.223 18.635 17.380 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.262 20.223 18.635 17.380 16.379 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.262 20.223 18.635 17.380 16.379 15.577 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.262 20.223 18.635 17.380 16.378 15.576 14.933 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.261 20.222 18.634 17.379 16.378 15.576 14.933 14.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.261 20.221 18.634 17.379 16.377 15.575 14.932 14.418 14.013 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.259 20.220 18.633 17.378 16.376 15.574 14.931 14.417 14.011 13.699 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.258 20.219 18.631 17.376 16.375 15.573 14.929 14.415 14.009 13.696 13.466 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.255 20.217 18.629 17.374 16.373 15.571 14.927 14.413 14.007 13.693 13.462 13.313 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.252 20.214 18.626 17.371 16.370 15.568 14.924 14.410 14.003 13.689 13.456 13.304 13.251 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.247 20.209 18.622 17.367 16.366 15.564 14.920 14.406 13.999 13.683 13.449 13.293 13.228 13.332 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.241 20.204 18.617 17.362 16.361 15.559 14.915 14.400 13.992 13.676 13.440 13.280 13.204 13.258 13.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.236 20.199 18.613 17.358 16.357 15.555 14.911 14.396 13.988 13.670 13.433 13.271 13.189 13.218 13.494 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.229 20.193 18.607 17.352 16.351 15.549 14.905 14.390 13.981 13.663 13.424 13.259 13.170 13.176 13.332 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.221 20.186 18.600 17.346 16.345 15.543 14.899 14.383 13.974 13.655 13.415 13.247 13.153 13.144 13.243 18.534 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.212 20.178 18.593 17.339 16.339 15.537 14.893 14.377 13.967 13.647 13.406 13.236 13.139 13.120 13.187 15.433 16.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.204 20.171 18.586 17.333 16.332 15.530 14.886 14.370 13.960 13.640 13.397 13.226 13.125 13.099 13.149 14.611 15.324 16.423 17.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.195 20.163 18.579 17.326 16.326 15.524 14.880 14.364 13.953 13.632 13.389 13.216 13.113 13.081 13.121 14.195 14.634 15.251 16.107 17.227 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.185 20.154 18.571 17.319 16.319 15.517 14.873 14.357 13.946 13.624 13.380 13.206 13.101 13.065 13.099 13.931 14.242 14.654 15.198 15.904 16.776 17.775 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.175 20.146 18.564 17.311 16.312 15.510 14.866 14.350 13.939 13.617 13.372 13.197 13.089 13.050 13.079 13.744 13.981 14.285 14.671 15.158 15.760 16.476 17.281 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.166 20.137 18.556 17.304 16.305 15.503 14.859 14.343 13.932 13.609 13.363 13.187 13.077 13.035 13.060 13.602 13.792 14.029 14.323 14.685 15.126 15.652 16.260 16.932 17.644 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.155 20.129 18.548 17.296 16.297 15.496 14.852 14.336 13.924 13.601 13.355 13.177 13.066 13.020 13.042 13.490 13.647 13.839 14.073 14.357 14.697 15.100 15.568 16.096 16.674 17.284 17.907 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.145 20.119 18.539 17.288 16.290 15.489 14.845 14.329 13.917 13.594 13.346 13.168 13.054 13.005 13.023 13.397 13.530 13.691 13.884 14.114 14.388 14.708 15.079 15.500 15.968 16.474 17.007 17.555 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.134 20.110 18.531 17.280 16.282 15.481 14.838 14.321 13.910 13.586 13.338 13.158 13.042 12.990 13.004 13.320 13.434 13.571 13.734 13.927 14.153 14.416 14.719 15.062 15.445 15.865 16.316 16.789 17.275 17.768 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.123 20.100 18.522 17.272 16.274 15.474 14.830 14.314 13.902 13.578 13.329 13.148 13.031 12.975 12.984 13.253 13.353 13.472 13.612 13.777 13.968 14.189 14.442 14.728 15.047 15.399 15.780 16.187 16.612 17.049 17.494 99999.999 99999.999 99999.999 99999.999 99999.999 22.111 20.091 18.513 17.264 16.266 15.466 14.823 14.307 13.895 13.570 13.321 13.138 13.019 12.960 12.964 13.196 13.283 13.387 13.510 13.653 13.818 14.008 14.223 14.466 14.737 15.035 15.361 15.710 16.080 16.465 16.863 17.267 17.675 99999.999 99999.999 99999.999 22.100 20.081 18.504 17.256 16.258 15.458 14.815 14.299 13.887 13.562 13.312 13.129 13.007 12.945 12.943 13.145 13.222 13.315 13.424 13.549 13.694 13.859 14.045 14.255 14.488 14.745 15.025 15.328 15.650 15.990 16.343 16.706 17.077 17.452 99999.999 99999.999 22.088 20.071 18.495 17.247 16.250 15.450 14.807 14.291 13.879 13.554 13.304 13.119 12.995 12.930 12.923 13.099 13.169 13.252 13.349 13.461 13.589 13.734 13.898 14.081 14.285 14.509 14.753 15.017 15.300 15.599 15.913 16.238 16.573 16.915 17.261 17.609 22.076 20.060 18.486 17.238 16.242 15.442 14.800 14.284 13.872 13.546 13.295 13.110 12.984 12.915 12.903 13.058 13.121 13.196 13.283 13.384 13.498 13.628 13.774 13.936 14.115 14.313 14.528 14.761 15.010 15.276 15.555 15.847 16.148 16.458 16.775 17.095 21.943 19.948 18.385 17.145 16.153 15.357 14.717 14.203 13.792 13.466 13.212 13.019 12.881 12.792 12.749 12.789 12.816 12.850 12.890 12.937 12.989 13.048 13.114 13.185 13.264 13.348 13.439 13.536 13.639 13.749 13.865 13.986 14.114 14.247 14.385 14.528 21.793 19.822 18.272 17.041 16.056 15.265 14.628 14.117 13.707 13.382 13.128 12.933 12.790 12.693 12.636 12.630 12.645 12.664 12.688 12.717 12.750 12.787 12.828 12.874 12.924 12.977 13.034 13.095 13.159 13.227 13.298 13.372 13.449 13.530 13.612 13.698 21.629 19.686 18.151 16.930 15.952 15.166 14.534 14.026 13.619 13.296 13.042 12.847 12.703 12.602 12.539 12.511 12.520 12.532 12.549 12.570 12.594 12.622 12.653 12.687 12.725 12.765 12.808 12.854 12.903 12.954 13.008 13.064 13.121 13.181 13.243 13.306 21.454 19.541 18.023 16.813 15.843 15.064 14.436 13.932 13.528 13.207 12.955 12.762 12.617 12.515 12.449 12.411 12.416 12.425 12.438 12.455 12.474 12.497 12.523 12.552 12.583 12.617 12.654 12.692 12.734 12.777 12.822 12.869 12.918 12.968 13.020 13.073 21.270 19.390 17.889 16.691 15.730 14.957 14.335 13.835 13.434 13.116 12.867 12.675 12.532 12.430 12.363 12.320 12.324 12.331 12.342 12.356 12.373 12.393 12.416 12.442 12.470 12.500 12.533 12.568 12.605 12.644 12.685 12.727 12.771 12.816 12.863 12.911 21.079 19.233 17.752 16.566 15.614 14.848 14.231 13.736 13.339 13.024 12.778 12.588 12.446 12.345 12.279 12.234 12.237 12.243 12.253 12.266 12.282 12.301 12.322 12.346 12.372 12.401 12.431 12.464 12.499 12.535 12.574 12.613 12.655 12.697 12.741 12.786 20.882 19.072 17.610 16.438 15.495 14.737 14.126 13.635 13.243 12.931 12.687 12.500 12.360 12.261 12.196 12.151 12.154 12.160 12.169 12.182 12.197 12.215 12.235 12.258 12.284 12.311 12.341 12.372 12.406 12.441 12.478 12.516 12.556 12.597 12.639 12.683 99999.999 18.908 17.466 16.307 15.375 14.624 14.019 13.533 13.145 12.837 12.596 12.412 12.274 12.177 12.113 12.070 12.073 12.079 12.088 12.101 12.116 12.133 12.153 12.176 12.201 12.228 12.257 12.288 12.320 12.355 12.391 12.428 12.467 12.507 12.549 12.592 MnO4-2 MnO4(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 5 -3.500 1 -0.500 6 1.000 14 0.500 4 2.000 2 110.940 101.500 93.629 86.980 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.940 101.500 93.629 86.980 81.298 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.940 101.500 93.630 86.980 81.299 76.399 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.940 101.500 93.630 86.980 81.299 76.399 72.141 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.940 101.500 93.630 86.980 81.299 76.399 72.141 68.416 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.941 101.501 93.631 86.981 81.299 76.399 72.141 68.416 65.142 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.942 101.502 93.631 86.981 81.299 76.399 72.141 68.415 65.141 62.254 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.943 101.503 93.632 86.982 81.300 76.400 72.140 68.415 65.139 62.251 59.702 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.944 101.505 93.634 86.983 81.301 76.400 72.140 68.413 65.137 62.247 59.696 57.453 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.946 101.507 93.636 86.985 81.302 76.400 72.139 68.412 65.134 62.243 59.688 57.440 55.493 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.948 101.509 93.638 86.987 81.303 76.400 72.139 68.410 65.131 62.237 59.679 57.424 55.461 53.844 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.951 101.513 93.641 86.989 81.304 76.401 72.138 68.408 65.126 62.229 59.667 57.404 55.426 53.757 52.644 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.953 101.515 93.643 86.990 81.305 76.401 72.137 68.406 65.123 62.224 59.658 57.391 55.402 53.705 52.423 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.956 101.518 93.646 86.992 81.306 76.401 72.136 68.403 65.118 62.216 59.646 57.372 55.371 53.644 52.244 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.959 101.521 93.648 86.994 81.307 76.401 72.134 68.400 65.113 62.208 59.635 57.355 55.344 53.595 52.130 53.556 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.961 101.523 93.650 86.995 81.308 76.400 72.133 68.397 65.108 62.201 59.624 57.339 55.320 53.553 52.047 50.954 51.751 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.963 101.526 93.652 86.997 81.308 76.400 72.131 68.394 65.103 62.194 59.614 57.324 55.298 53.518 51.982 50.260 50.339 50.767 51.644 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.964 101.528 93.654 86.998 81.308 76.399 72.130 68.391 65.099 62.187 59.604 57.310 55.277 53.486 51.929 49.899 49.750 49.767 50.011 50.517 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.966 101.530 93.656 86.999 81.309 76.399 72.128 68.388 65.094 62.180 59.594 57.297 55.258 53.457 51.883 49.664 49.407 49.251 49.226 49.359 49.665 50.121 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.967 101.531 93.657 87.000 81.309 76.398 72.126 68.385 65.089 62.173 59.585 57.284 55.239 53.430 51.843 49.492 49.173 48.925 48.765 48.708 48.769 48.952 49.243 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.968 101.533 93.658 87.000 81.309 76.397 72.124 68.381 65.084 62.167 59.576 57.272 55.222 53.406 51.807 49.359 48.999 48.695 48.455 48.291 48.210 48.220 48.322 48.504 48.748 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.969 101.534 93.659 87.001 81.308 76.396 72.122 68.378 65.080 62.160 59.567 57.260 55.206 53.382 51.774 49.250 48.862 48.519 48.229 47.996 47.828 47.729 47.702 47.747 47.854 48.011 48.203 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.970 101.535 93.660 87.001 81.308 76.394 72.120 68.375 65.075 62.154 59.559 57.248 55.190 53.360 51.743 49.160 48.749 48.380 48.054 47.775 47.548 47.376 47.263 47.209 47.211 47.264 47.359 47.484 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.970 101.536 93.660 87.001 81.307 76.393 72.117 68.371 65.071 62.148 59.550 57.237 55.175 53.339 51.714 49.082 48.655 48.265 47.912 47.601 47.332 47.110 46.936 46.811 46.736 46.707 46.720 46.768 46.843 46.936 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.970 101.536 93.661 87.001 81.307 76.392 72.115 68.368 65.066 62.142 59.542 57.226 55.160 53.319 51.686 49.014 48.574 48.167 47.795 47.458 47.159 46.900 46.682 46.506 46.373 46.281 46.228 46.210 46.222 46.258 46.312 99999.999 99999.999 99999.999 99999.999 99999.999 110.971 101.537 93.661 87.001 81.306 76.390 72.113 68.365 65.061 62.135 59.534 57.215 55.146 53.300 51.659 48.954 48.503 48.083 47.695 47.339 47.017 46.729 46.478 46.264 46.086 45.946 45.841 45.770 45.728 45.712 45.718 45.740 45.775 99999.999 99999.999 99999.999 110.970 101.537 93.661 87.000 81.305 76.388 72.110 68.361 65.057 62.129 59.526 57.205 55.132 53.281 51.634 48.900 48.440 48.010 47.608 47.237 46.896 46.587 46.310 46.066 45.855 45.677 45.531 45.416 45.330 45.270 45.232 45.213 45.210 45.219 99999.999 99999.999 110.970 101.537 93.661 87.000 81.304 76.387 72.107 68.358 65.052 62.123 59.518 57.195 55.118 53.264 51.610 48.852 48.384 47.944 47.532 47.148 46.793 46.466 46.169 45.901 45.663 45.456 45.277 45.127 45.004 44.906 44.831 44.776 44.737 44.713 44.701 44.698 110.970 101.537 93.661 86.999 81.302 76.385 72.105 68.354 65.047 62.117 59.511 57.185 55.105 53.246 51.586 48.807 48.333 47.886 47.465 47.070 46.702 46.361 46.048 45.761 45.502 45.270 45.065 44.887 44.733 44.604 44.497 44.409 44.340 44.286 44.245 44.215 110.958 101.529 93.651 86.986 81.285 76.361 72.075 68.316 65.000 62.060 59.439 57.096 54.995 53.106 51.406 48.501 47.990 47.502 47.034 46.587 46.159 45.751 45.362 44.990 44.637 44.300 43.981 43.678 43.391 43.119 42.862 42.619 42.390 42.175 41.972 41.781 110.936 101.510 93.631 86.964 81.258 76.331 72.039 68.275 64.952 62.003 59.374 57.020 54.904 52.998 51.277 48.311 47.785 47.280 46.794 46.326 45.877 45.445 45.030 44.632 44.249 43.880 43.527 43.187 42.861 42.548 42.248 41.959 41.683 41.417 41.163 40.918 110.905 101.482 93.603 86.934 81.226 76.295 71.999 68.230 64.903 61.948 59.312 56.949 54.824 52.907 51.172 48.170 47.636 47.121 46.625 46.147 45.686 45.243 44.815 44.403 44.005 43.622 43.253 42.897 42.553 42.222 41.902 41.594 41.296 41.009 40.732 40.465 110.867 101.448 93.569 86.899 81.189 76.255 71.956 68.184 64.852 61.893 59.251 56.883 54.751 52.825 51.081 48.056 47.515 46.994 46.492 46.008 45.540 45.089 44.654 44.234 43.828 43.436 43.057 42.692 42.338 41.997 41.667 41.348 41.039 40.741 40.452 40.173 110.824 101.409 93.531 86.859 81.148 76.212 71.911 68.135 64.800 61.838 59.192 56.819 54.682 52.750 50.999 47.956 47.412 46.887 46.381 45.892 45.420 44.964 44.523 44.098 43.686 43.289 42.905 42.533 42.173 41.825 41.489 41.163 40.848 40.542 40.246 39.960 110.776 101.366 93.488 86.817 81.104 76.167 71.864 68.086 64.748 61.782 59.133 56.757 54.615 52.679 50.923 47.868 47.321 46.793 46.283 45.791 45.315 44.856 44.412 43.983 43.568 43.166 42.778 42.402 42.038 41.686 41.345 41.014 40.694 40.384 40.084 39.792 110.725 101.319 93.443 86.771 81.058 76.120 71.815 68.036 64.696 61.728 59.076 56.696 54.551 52.612 50.851 47.786 47.237 46.707 46.195 45.700 45.222 44.760 44.314 43.882 43.464 43.059 42.668 42.289 41.922 41.567 41.223 40.889 40.566 40.252 39.948 39.654 99999.999 101.269 93.395 86.724 81.011 76.071 71.765 67.984 64.643 61.673 59.019 56.637 54.489 52.546 50.783 47.710 47.159 46.627 46.114 45.617 45.137 44.673 44.225 43.790 43.370 42.964 42.570 42.189 41.820 41.462 41.116 40.780 40.454 40.138 39.832 39.535 MnO4-2 MnO4(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 -4.000 1 1.000 14 2.000 2 1.000 31 34.890 32.341 30.410 28.923 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.890 32.341 30.410 28.923 27.774 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.889 32.341 30.409 28.922 27.773 26.890 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.888 32.339 30.408 28.921 27.772 26.889 26.220 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.886 32.337 30.406 28.919 27.770 26.887 26.218 25.728 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.882 32.334 30.403 28.916 27.767 26.884 26.215 25.724 25.387 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.877 32.329 30.398 28.911 27.762 26.879 26.209 25.718 25.381 25.181 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.869 32.322 30.391 28.904 27.755 26.872 26.202 25.710 25.371 25.171 25.103 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.858 32.312 30.381 28.895 27.746 26.862 26.192 25.699 25.359 25.156 25.084 25.157 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.844 32.298 30.368 28.882 27.733 26.849 26.178 25.684 25.342 25.136 25.059 25.122 25.366 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.825 32.280 30.351 28.866 27.716 26.832 26.160 25.665 25.320 25.110 25.028 25.079 25.296 25.802 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.800 32.257 30.329 28.844 27.695 26.809 26.137 25.640 25.293 25.078 24.988 25.026 25.215 25.638 26.710 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.781 32.239 30.312 28.827 27.678 26.792 26.119 25.621 25.271 25.054 24.958 24.987 25.158 25.533 26.353 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.753 32.213 30.287 28.803 27.654 26.768 26.093 25.593 25.241 25.019 24.917 24.933 25.082 25.406 26.040 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.725 32.187 30.262 28.779 27.630 26.743 26.068 25.566 25.212 24.985 24.877 24.883 25.013 25.298 25.823 32.219 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.697 32.161 30.238 28.754 27.606 26.719 26.043 25.540 25.182 24.953 24.838 24.835 24.949 25.203 25.654 28.544 30.500 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.668 32.135 30.213 28.730 27.582 26.695 26.018 25.513 25.154 24.920 24.801 24.789 24.889 25.117 25.514 27.537 28.482 29.903 31.962 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.640 32.109 30.188 28.706 27.557 26.670 25.992 25.487 25.125 24.889 24.764 24.745 24.833 25.040 25.395 26.996 27.620 28.459 29.601 31.109 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.611 32.082 30.162 28.681 27.533 26.646 25.968 25.461 25.097 24.858 24.729 24.703 24.780 24.968 25.290 26.632 27.103 27.697 28.456 29.424 30.626 32.040 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.583 32.056 30.137 28.657 27.509 26.622 25.943 25.435 25.069 24.827 24.694 24.662 24.729 24.902 25.196 26.360 26.741 27.204 27.771 28.465 29.311 30.319 31.472 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.554 32.029 30.112 28.633 27.485 26.598 25.918 25.409 25.042 24.797 24.660 24.622 24.681 24.839 25.111 26.142 26.465 26.847 27.300 27.840 28.482 29.237 30.109 31.085 32.140 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.525 32.003 30.087 28.608 27.461 26.573 25.893 25.383 25.015 24.767 24.627 24.584 24.634 24.781 25.032 25.961 26.243 26.569 26.949 27.391 27.906 28.503 29.187 29.959 30.807 31.716 32.663 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.496 31.976 30.061 28.584 27.437 26.549 25.869 25.358 24.988 24.738 24.594 24.546 24.589 24.725 24.959 25.807 26.057 26.343 26.671 27.047 27.477 27.969 28.527 29.154 29.847 30.599 31.398 32.227 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.467 31.949 30.036 28.559 27.413 26.525 25.844 25.332 24.961 24.709 24.562 24.509 24.546 24.672 24.890 25.671 25.897 26.153 26.442 26.770 27.141 27.559 28.029 28.553 29.132 29.763 30.439 31.152 31.889 32.641 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.437 31.922 30.011 28.535 27.389 26.501 25.820 25.307 24.934 24.681 24.531 24.474 24.504 24.621 24.826 25.550 25.757 25.989 26.249 26.540 26.867 27.231 27.637 28.086 28.580 29.119 29.698 30.313 30.956 31.620 32.296 99999.999 99999.999 99999.999 99999.999 99999.999 34.408 31.895 29.985 28.510 27.365 26.477 25.796 25.282 24.908 24.652 24.500 24.439 24.464 24.572 24.765 25.441 25.632 25.844 26.081 26.344 26.636 26.960 27.317 27.711 28.141 28.608 29.111 29.647 30.211 30.798 31.402 32.015 32.632 99999.999 99999.999 99999.999 34.379 31.868 29.960 28.486 27.341 26.453 25.772 25.257 24.882 24.625 24.469 24.405 24.424 24.525 24.707 25.342 25.519 25.716 25.933 26.174 26.439 26.730 27.050 27.400 27.781 28.193 28.636 29.108 29.607 30.129 30.668 31.221 31.782 32.347 99999.999 99999.999 34.349 31.841 29.934 28.461 27.317 26.430 25.748 25.233 24.856 24.597 24.439 24.371 24.386 24.480 24.652 25.251 25.416 25.599 25.801 26.023 26.266 26.532 26.822 27.137 27.479 27.847 28.243 28.664 29.109 29.575 30.060 30.560 31.070 31.587 32.106 32.625 34.319 31.814 29.909 28.436 27.293 26.406 25.724 25.208 24.831 24.570 24.410 24.338 24.349 24.436 24.599 25.166 25.322 25.493 25.682 25.888 26.113 26.357 26.623 26.911 27.221 27.555 27.911 28.290 28.691 29.112 29.550 30.004 30.469 30.942 31.421 31.901 34.020 31.540 29.651 28.190 27.053 26.169 25.487 24.968 24.583 24.310 24.133 24.038 24.015 24.058 24.161 24.536 24.637 24.747 24.865 24.992 25.127 25.272 25.424 25.586 25.756 25.935 26.122 26.318 26.522 26.734 26.954 27.182 27.417 27.658 27.906 28.159 33.715 31.263 29.392 27.943 26.815 25.936 25.255 24.735 24.347 24.067 23.880 23.771 23.729 23.747 23.819 24.103 24.180 24.264 24.354 24.450 24.553 24.661 24.775 24.894 25.019 25.149 25.285 25.426 25.571 25.722 25.877 26.036 26.199 26.367 26.538 26.713 33.407 30.984 29.132 27.697 26.577 25.705 25.028 24.509 24.120 23.837 23.643 23.525 23.472 23.474 23.526 23.757 23.822 23.891 23.966 24.046 24.131 24.221 24.315 24.414 24.517 24.624 24.735 24.850 24.969 25.091 25.216 25.345 25.477 25.612 25.749 25.889 33.096 30.704 28.872 27.451 26.342 25.476 24.804 24.288 23.899 23.615 23.418 23.294 23.233 23.226 23.265 23.462 23.518 23.579 23.645 23.715 23.789 23.868 23.950 24.037 24.127 24.221 24.318 24.418 24.521 24.628 24.737 24.849 24.963 25.080 25.199 25.321 32.783 30.423 28.612 27.205 26.107 25.250 24.584 24.072 23.684 23.400 23.202 23.075 23.009 22.995 23.026 23.200 23.250 23.305 23.364 23.428 23.495 23.567 23.641 23.720 23.802 23.887 23.975 24.066 24.160 24.256 24.355 24.456 24.560 24.666 24.774 24.884 32.467 30.141 28.352 26.961 25.874 25.026 24.366 23.858 23.474 23.191 22.992 22.864 22.795 22.777 22.802 22.960 23.006 23.057 23.112 23.171 23.234 23.300 23.370 23.443 23.519 23.598 23.680 23.764 23.852 23.942 24.034 24.128 24.225 24.323 24.424 24.526 32.150 29.859 28.092 26.718 25.643 24.804 24.151 23.648 23.268 22.987 22.789 22.660 22.590 22.569 22.590 22.737 22.780 22.828 22.880 22.936 22.995 23.058 23.124 23.193 23.265 23.340 23.418 23.498 23.581 23.666 23.753 23.842 23.934 24.027 24.123 24.220 99999.999 29.577 27.833 26.475 25.413 24.583 23.938 23.441 23.065 22.787 22.590 22.462 22.391 22.369 22.387 22.527 22.568 22.614 22.664 22.717 22.774 22.834 22.897 22.964 23.033 23.105 23.179 23.256 23.336 23.418 23.501 23.587 23.675 23.765 23.857 23.950 MnCl+ MnCl(+) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 2 1.000 3 1.000 14 0.387 0.139 -0.157 -0.472 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.387 0.139 -0.157 -0.472 -0.797 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.387 0.139 -0.157 -0.472 -0.797 -1.130 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.387 0.139 -0.157 -0.472 -0.797 -1.130 -1.471 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.388 0.139 -0.156 -0.471 -0.796 -1.129 -1.470 -1.822 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.389 0.140 -0.156 -0.470 -0.795 -1.128 -1.469 -1.820 -2.185 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.390 0.141 -0.154 -0.469 -0.794 -1.126 -1.466 -1.817 -2.182 -2.566 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.392 0.143 -0.153 -0.467 -0.791 -1.123 -1.463 -1.813 -2.176 -2.559 -2.973 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.394 0.145 -0.150 -0.465 -0.788 -1.120 -1.459 -1.808 -2.169 -2.550 -2.960 -3.417 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.398 0.148 -0.147 -0.461 -0.784 -1.115 -1.453 -1.800 -2.160 -2.538 -2.943 -3.393 -3.909 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.402 0.152 -0.143 -0.457 -0.779 -1.109 -1.445 -1.791 -2.148 -2.522 -2.922 -3.362 -3.863 -4.460 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.407 0.157 -0.138 -0.451 -0.773 -1.101 -1.436 -1.779 -2.133 -2.503 -2.896 -3.324 -3.806 -4.374 -5.116 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.411 0.160 -0.135 -0.447 -0.768 -1.095 -1.429 -1.770 -2.122 -2.488 -2.876 -3.296 -3.765 -4.311 -5.030 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.416 0.165 -0.130 -0.441 -0.761 -1.087 -1.419 -1.757 -2.106 -2.468 -2.849 -3.258 -3.708 -4.226 -4.897 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.421 0.170 -0.125 -0.436 -0.755 -1.079 -1.409 -1.745 -2.091 -2.448 -2.823 -3.222 -3.656 -4.147 -4.770 -4.684 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.425 0.174 -0.120 -0.430 -0.748 -1.071 -1.399 -1.734 -2.076 -2.430 -2.798 -3.188 -3.607 -4.074 -4.651 -4.985 -5.013 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.430 0.178 -0.115 -0.425 -0.742 -1.064 -1.390 -1.722 -2.062 -2.412 -2.775 -3.156 -3.562 -4.007 -4.542 -5.015 -5.126 -5.220 -5.370 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.434 0.182 -0.111 -0.420 -0.736 -1.057 -1.381 -1.711 -2.048 -2.394 -2.752 -3.126 -3.520 -3.946 -4.444 -4.992 -5.129 -5.257 -5.384 -5.545 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.437 0.186 -0.107 -0.415 -0.731 -1.050 -1.373 -1.701 -2.035 -2.378 -2.731 -3.097 -3.481 -3.890 -4.355 -4.953 -5.100 -5.242 -5.382 -5.526 -5.696 -5.923 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.441 0.190 -0.103 -0.411 -0.725 -1.043 -1.365 -1.691 -2.022 -2.362 -2.710 -3.070 -3.444 -3.838 -4.275 -4.909 -5.059 -5.207 -5.354 -5.501 -5.655 -5.829 -6.038 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.444 0.193 -0.099 -0.406 -0.720 -1.036 -1.357 -1.681 -2.010 -2.346 -2.691 -3.045 -3.411 -3.792 -4.205 -4.865 -5.015 -5.165 -5.314 -5.464 -5.616 -5.775 -5.949 -6.147 -6.376 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.447 0.196 -0.095 -0.402 -0.714 -1.030 -1.349 -1.671 -1.998 -2.331 -2.672 -3.021 -3.379 -3.749 -4.142 -4.820 -4.969 -5.119 -5.269 -5.419 -5.571 -5.726 -5.888 -6.060 -6.248 -6.457 -6.686 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.450 0.199 -0.092 -0.398 -0.709 -1.024 -1.341 -1.661 -1.986 -2.317 -2.654 -2.998 -3.350 -3.711 -4.087 -4.777 -4.925 -5.073 -5.222 -5.372 -5.523 -5.676 -5.832 -5.994 -6.163 -6.343 -6.536 -6.741 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.453 0.202 -0.088 -0.394 -0.704 -1.018 -1.334 -1.652 -1.975 -2.303 -2.637 -2.977 -3.323 -3.676 -4.039 -4.735 -4.881 -5.027 -5.175 -5.324 -5.474 -5.625 -5.778 -5.934 -6.095 -6.260 -6.433 -6.613 -6.799 -6.990 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.455 0.205 -0.085 -0.390 -0.700 -1.012 -1.327 -1.643 -1.964 -2.290 -2.620 -2.956 -3.297 -3.644 -3.997 -4.694 -4.838 -4.983 -5.129 -5.276 -5.424 -5.574 -5.724 -5.877 -6.032 -6.190 -6.352 -6.517 -6.686 -6.858 -7.031 99999.999 99999.999 99999.999 99999.999 99999.999 0.457 0.207 -0.082 -0.386 -0.695 -1.006 -1.320 -1.635 -1.954 -2.276 -2.604 -2.937 -3.274 -3.615 -3.961 -4.654 -4.796 -4.940 -5.084 -5.229 -5.375 -5.523 -5.671 -5.821 -5.973 -6.126 -6.281 -6.438 -6.597 -6.757 -6.917 -7.076 -7.231 99999.999 99999.999 99999.999 0.459 0.210 -0.079 -0.382 -0.691 -1.001 -1.313 -1.626 -1.943 -2.264 -2.589 -2.918 -3.251 -3.588 -3.928 -4.616 -4.756 -4.898 -5.040 -5.183 -5.328 -5.473 -5.620 -5.767 -5.916 -6.066 -6.217 -6.368 -6.521 -6.673 -6.825 -6.976 -7.123 -7.265 99999.999 99999.999 0.460 0.212 -0.076 -0.379 -0.686 -0.996 -1.306 -1.618 -1.933 -2.252 -2.574 -2.900 -3.230 -3.563 -3.898 -4.579 -4.718 -4.857 -4.997 -5.139 -5.281 -5.425 -5.569 -5.714 -5.861 -6.008 -6.156 -6.304 -6.452 -6.600 -6.747 -6.891 -7.033 -7.171 -7.304 -7.429 0.462 0.214 -0.074 -0.375 -0.682 -0.990 -1.300 -1.610 -1.923 -2.240 -2.559 -2.883 -3.210 -3.539 -3.871 -4.544 -4.680 -4.818 -4.956 -5.096 -5.236 -5.378 -5.520 -5.663 -5.807 -5.952 -6.097 -6.242 -6.388 -6.532 -6.675 -6.817 -6.955 -7.090 -7.220 -7.345 0.466 0.227 -0.054 -0.348 -0.647 -0.946 -1.244 -1.542 -1.839 -2.136 -2.435 -2.734 -3.035 -3.336 -3.638 -4.243 -4.365 -4.487 -4.610 -4.733 -4.856 -4.980 -5.105 -5.230 -5.356 -5.482 -5.609 -5.736 -5.863 -5.990 -6.117 -6.244 -6.371 -6.496 -6.621 -6.744 0.454 0.228 -0.044 -0.331 -0.622 -0.913 -1.202 -1.488 -1.773 -2.055 -2.337 -2.619 -2.900 -3.180 -3.459 -4.015 -4.126 -4.237 -4.348 -4.460 -4.571 -4.683 -4.795 -4.907 -5.020 -5.133 -5.246 -5.359 -5.473 -5.587 -5.702 -5.816 -5.931 -6.046 -6.161 -6.276 0.428 0.220 -0.042 -0.321 -0.605 -0.888 -1.169 -1.446 -1.720 -1.991 -2.260 -2.526 -2.791 -3.054 -3.316 -3.833 -3.936 -4.039 -4.142 -4.245 -4.347 -4.450 -4.552 -4.655 -4.758 -4.861 -4.964 -5.067 -5.171 -5.275 -5.378 -5.483 -5.587 -5.692 -5.797 -5.902 0.393 0.204 -0.048 -0.318 -0.595 -0.871 -1.144 -1.413 -1.678 -1.939 -2.196 -2.451 -2.702 -2.951 -3.198 -3.685 -3.781 -3.877 -3.973 -4.069 -4.165 -4.260 -4.355 -4.451 -4.546 -4.641 -4.737 -4.832 -4.927 -5.023 -5.119 -5.215 -5.311 -5.407 -5.504 -5.601 0.350 0.181 -0.059 -0.321 -0.590 -0.859 -1.125 -1.387 -1.644 -1.896 -2.144 -2.388 -2.629 -2.866 -3.100 -3.561 -3.652 -3.743 -3.833 -3.923 -4.013 -4.103 -4.192 -4.281 -4.371 -4.460 -4.549 -4.638 -4.727 -4.816 -4.905 -4.994 -5.084 -5.173 -5.263 -5.353 0.300 0.153 -0.075 -0.328 -0.590 -0.852 -1.111 -1.367 -1.617 -1.861 -2.101 -2.336 -2.567 -2.794 -3.018 -3.456 -3.543 -3.629 -3.714 -3.800 -3.885 -3.970 -4.054 -4.138 -4.223 -4.307 -4.391 -4.474 -4.558 -4.642 -4.726 -4.810 -4.894 -4.978 -5.062 -5.146 0.244 0.121 -0.095 -0.339 -0.593 -0.849 -1.102 -1.351 -1.595 -1.833 -2.065 -2.292 -2.515 -2.733 -2.948 -3.367 -3.450 -3.532 -3.613 -3.694 -3.775 -3.856 -3.936 -4.017 -4.097 -4.176 -4.256 -4.335 -4.415 -4.494 -4.574 -4.653 -4.732 -4.812 -4.892 -4.971 99999.999 0.086 -0.118 -0.354 -0.601 -0.850 -1.097 -1.340 -1.577 -1.809 -2.035 -2.256 -2.471 -2.682 -2.888 -3.290 -3.369 -3.448 -3.526 -3.604 -3.681 -3.758 -3.835 -3.912 -3.988 -4.064 -4.140 -4.216 -4.292 -4.367 -4.443 -4.519 -4.594 -4.670 -4.746 -4.822 MnSO4,aq MnSO4(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 2 1.000 14 1.000 4 -1.803 -1.913 -2.077 -2.264 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.803 -1.913 -2.077 -2.264 -2.469 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.803 -1.913 -2.077 -2.264 -2.468 -2.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.803 -1.913 -2.076 -2.264 -2.468 -2.690 -2.935 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.802 -1.912 -2.076 -2.263 -2.467 -2.689 -2.933 -3.205 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.800 -1.911 -2.075 -2.262 -2.466 -2.688 -2.931 -3.202 -3.509 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.798 -1.910 -2.074 -2.261 -2.464 -2.685 -2.928 -3.198 -3.503 -3.855 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.795 -1.908 -2.072 -2.259 -2.462 -2.682 -2.924 -3.192 -3.495 -3.844 -4.262 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.791 -1.906 -2.070 -2.257 -2.459 -2.678 -2.918 -3.184 -3.484 -3.828 -4.239 -4.751 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.786 -1.903 -2.068 -2.254 -2.455 -2.672 -2.910 -3.173 -3.469 -3.808 -4.211 -4.707 -5.347 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.779 -1.899 -2.064 -2.250 -2.449 -2.665 -2.900 -3.160 -3.451 -3.783 -4.174 -4.652 -5.260 -6.084 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.771 -1.894 -2.060 -2.245 -2.443 -2.656 -2.888 -3.143 -3.428 -3.751 -4.129 -4.585 -5.157 -5.915 -7.090 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.765 -1.891 -2.057 -2.241 -2.438 -2.650 -2.879 -3.130 -3.411 -3.728 -4.096 -4.536 -5.081 -5.794 -6.883 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.757 -1.887 -2.054 -2.237 -2.432 -2.640 -2.866 -3.113 -3.387 -3.696 -4.051 -4.470 -4.980 -5.634 -6.606 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.749 -1.883 -2.050 -2.232 -2.426 -2.632 -2.854 -3.096 -3.365 -3.665 -4.008 -4.408 -4.887 -5.488 -6.357 -6.898 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.741 -1.879 -2.047 -2.228 -2.420 -2.624 -2.843 -3.081 -3.343 -3.636 -3.967 -4.349 -4.800 -5.355 -6.132 -6.683 -7.002 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.735 -1.876 -2.044 -2.225 -2.415 -2.616 -2.832 -3.066 -3.323 -3.608 -3.929 -4.295 -4.720 -5.234 -5.930 -6.548 -6.804 -7.128 -7.680 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.728 -1.873 -2.042 -2.222 -2.410 -2.609 -2.821 -3.051 -3.303 -3.581 -3.892 -4.244 -4.647 -5.123 -5.749 -6.413 -6.652 -6.917 -7.241 -7.700 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.722 -1.870 -2.040 -2.219 -2.406 -2.602 -2.812 -3.038 -3.284 -3.556 -3.858 -4.196 -4.578 -5.023 -5.587 -6.286 -6.511 -6.753 -7.023 -7.343 -7.754 -8.309 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.717 -1.868 -2.038 -2.217 -2.402 -2.596 -2.802 -3.025 -3.266 -3.532 -3.825 -4.151 -4.515 -4.931 -5.443 -6.169 -6.381 -6.608 -6.852 -7.123 -7.436 -7.815 -8.286 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.712 -1.867 -2.037 -2.214 -2.398 -2.590 -2.794 -3.012 -3.249 -3.509 -3.794 -4.109 -4.457 -4.849 -5.315 -6.060 -6.262 -6.475 -6.702 -6.947 -7.216 -7.521 -7.874 -8.290 -8.778 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.707 -1.865 -2.036 -2.213 -2.395 -2.585 -2.785 -3.000 -3.233 -3.487 -3.765 -4.069 -4.404 -4.774 -5.202 -5.958 -6.151 -6.353 -6.567 -6.794 -7.038 -7.304 -7.598 -7.930 -8.305 -8.727 -9.194 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.703 -1.864 -2.035 -2.211 -2.392 -2.580 -2.777 -2.989 -3.217 -3.466 -3.737 -4.032 -4.354 -4.706 -5.104 -5.863 -6.048 -6.240 -6.443 -6.656 -6.882 -7.124 -7.385 -7.669 -7.980 -8.322 -8.696 -9.098 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.700 -1.863 -2.035 -2.210 -2.389 -2.575 -2.770 -2.978 -3.202 -3.446 -3.710 -3.997 -4.308 -4.645 -5.018 -5.774 -5.951 -6.135 -6.328 -6.530 -6.742 -6.966 -7.205 -7.459 -7.732 -8.026 -8.341 -8.676 -9.029 -9.394 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.696 -1.863 -2.034 -2.209 -2.387 -2.571 -2.763 -2.968 -3.188 -3.426 -3.685 -3.964 -4.266 -4.590 -4.942 -5.690 -5.860 -6.036 -6.221 -6.413 -6.614 -6.825 -7.047 -7.281 -7.528 -7.790 -8.066 -8.358 -8.662 -8.976 -9.295 99999.999 99999.999 99999.999 99999.999 99999.999 -1.693 -1.863 -2.035 -2.208 -2.385 -2.566 -2.756 -2.958 -3.174 -3.408 -3.661 -3.933 -4.226 -4.539 -4.877 -5.610 -5.774 -5.944 -6.120 -6.304 -6.495 -6.695 -6.904 -7.122 -7.351 -7.591 -7.841 -8.102 -8.373 -8.651 -8.933 -9.216 -9.496 99999.999 99999.999 99999.999 -1.691 -1.863 -2.035 -2.208 -2.383 -2.563 -2.750 -2.948 -3.161 -3.390 -3.638 -3.904 -4.189 -4.493 -4.818 -5.535 -5.693 -5.856 -6.026 -6.202 -6.385 -6.575 -6.773 -6.979 -7.194 -7.417 -7.648 -7.887 -8.134 -8.386 -8.641 -8.897 -9.151 -9.399 99999.999 99999.999 -1.688 -1.863 -2.036 -2.208 -2.381 -2.559 -2.744 -2.939 -3.148 -3.373 -3.615 -3.876 -4.154 -4.450 -4.766 -5.463 -5.616 -5.773 -5.937 -6.106 -6.281 -6.463 -6.652 -6.847 -7.050 -7.260 -7.477 -7.700 -7.928 -8.161 -8.396 -8.633 -8.867 -9.096 -9.318 -9.530 -1.686 -1.864 -2.036 -2.208 -2.380 -2.556 -2.739 -2.931 -3.136 -3.357 -3.594 -3.849 -4.121 -4.410 -4.717 -5.395 -5.542 -5.695 -5.852 -6.015 -6.184 -6.358 -6.539 -6.725 -6.918 -7.117 -7.322 -7.532 -7.746 -7.964 -8.185 -8.405 -8.625 -8.840 -9.049 -9.250 -1.685 -1.885 -2.058 -2.221 -2.381 -2.539 -2.700 -2.866 -3.040 -3.224 -3.420 -3.627 -3.847 -4.078 -4.321 -4.846 -4.957 -5.072 -5.188 -5.308 -5.431 -5.557 -5.685 -5.817 -5.952 -6.090 -6.230 -6.374 -6.519 -6.668 -6.817 -6.969 -7.122 -7.275 -7.428 -7.581 -1.712 -1.928 -2.100 -2.255 -2.401 -2.545 -2.687 -2.832 -2.980 -3.135 -3.298 -3.469 -3.649 -3.838 -4.035 -4.456 -4.544 -4.634 -4.726 -4.820 -4.916 -5.013 -5.113 -5.214 -5.318 -5.424 -5.531 -5.641 -5.753 -5.867 -5.982 -6.100 -6.219 -6.339 -6.461 -6.584 -1.761 -1.988 -2.157 -2.303 -2.438 -2.567 -2.693 -2.819 -2.947 -3.078 -3.214 -3.356 -3.504 -3.659 -3.820 -4.162 -4.233 -4.306 -4.380 -4.455 -4.532 -4.610 -4.690 -4.771 -4.853 -4.937 -5.023 -5.110 -5.199 -5.289 -5.381 -5.475 -5.570 -5.667 -5.765 -5.865 -1.827 -2.063 -2.228 -2.365 -2.488 -2.604 -2.715 -2.824 -2.933 -3.044 -3.157 -3.275 -3.396 -3.523 -3.655 -3.933 -3.992 -4.051 -4.111 -4.172 -4.234 -4.297 -4.362 -4.427 -4.494 -4.562 -4.631 -4.701 -4.773 -4.847 -4.921 -4.997 -5.075 -5.153 -5.234 -5.315 -1.907 -2.150 -2.310 -2.437 -2.549 -2.652 -2.749 -2.843 -2.936 -3.029 -3.123 -3.219 -3.318 -3.421 -3.528 -3.753 -3.801 -3.849 -3.897 -3.947 -3.997 -4.049 -4.101 -4.154 -4.208 -4.264 -4.320 -4.377 -4.436 -4.496 -4.557 -4.619 -4.683 -4.748 -4.814 -4.881 -1.999 -2.247 -2.401 -2.519 -2.619 -2.709 -2.793 -2.873 -2.951 -3.028 -3.105 -3.183 -3.262 -3.344 -3.430 -3.610 -3.648 -3.687 -3.726 -3.766 -3.807 -3.848 -3.890 -3.934 -3.978 -4.022 -4.068 -4.115 -4.163 -4.212 -4.262 -4.313 -4.366 -4.419 -4.474 -4.530 -2.099 -2.351 -2.500 -2.608 -2.697 -2.775 -2.846 -2.913 -2.977 -3.040 -3.101 -3.163 -3.225 -3.289 -3.355 -3.497 -3.527 -3.557 -3.588 -3.620 -3.652 -3.685 -3.719 -3.754 -3.789 -3.825 -3.862 -3.900 -3.939 -3.979 -4.021 -4.063 -4.106 -4.151 -4.196 -4.243 99999.999 -2.461 -2.605 -2.705 -2.782 -2.847 -2.907 -2.961 -3.012 -3.061 -3.109 -3.156 -3.203 -3.251 -3.300 -3.407 -3.430 -3.453 -3.477 -3.501 -3.527 -3.552 -3.579 -3.606 -3.634 -3.663 -3.693 -3.723 -3.755 -3.787 -3.821 -3.855 -3.891 -3.928 -3.966 -4.005 HMoO4- HMoO4(-1) P-T:All Charge =-1. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 2 1.000 1 1.000 29 -4.405 -4.398 -4.504 -4.672 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.405 -4.398 -4.504 -4.672 -4.882 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.405 -4.398 -4.503 -4.672 -4.882 -5.122 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.405 -4.397 -4.503 -4.671 -4.881 -5.122 -5.387 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.404 -4.397 -4.502 -4.670 -4.880 -5.120 -5.385 -5.673 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.404 -4.395 -4.500 -4.669 -4.878 -5.118 -5.383 -5.670 -5.980 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.403 -4.393 -4.498 -4.666 -4.875 -5.115 -5.380 -5.667 -5.975 -6.310 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.402 -4.391 -4.495 -4.662 -4.871 -5.111 -5.375 -5.661 -5.969 -6.302 -6.668 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.400 -4.387 -4.490 -4.657 -4.866 -5.105 -5.368 -5.654 -5.960 -6.292 -6.655 -7.065 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.398 -4.382 -4.484 -4.650 -4.858 -5.097 -5.359 -5.644 -5.949 -6.278 -6.638 -7.041 -7.511 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.395 -4.376 -4.476 -4.642 -4.849 -5.086 -5.348 -5.631 -5.934 -6.260 -6.615 -7.011 -7.466 -8.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.392 -4.368 -4.466 -4.630 -4.837 -5.073 -5.333 -5.615 -5.916 -6.238 -6.588 -6.973 -7.412 -7.941 -8.694 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.390 -4.362 -4.459 -4.622 -4.827 -5.063 -5.322 -5.602 -5.902 -6.222 -6.567 -6.946 -7.373 -7.880 -8.571 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.387 -4.354 -4.448 -4.610 -4.814 -5.049 -5.307 -5.585 -5.882 -6.198 -6.538 -6.908 -7.320 -7.799 -8.426 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.384 -4.345 -4.438 -4.598 -4.801 -5.035 -5.291 -5.568 -5.862 -6.176 -6.511 -6.873 -7.271 -7.726 -8.302 -9.642 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.382 -4.338 -4.427 -4.587 -4.789 -5.021 -5.277 -5.551 -5.844 -6.154 -6.484 -6.839 -7.225 -7.659 -8.193 -9.103 -9.530 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.379 -4.330 -4.417 -4.575 -4.777 -5.008 -5.262 -5.535 -5.825 -6.133 -6.459 -6.807 -7.182 -7.598 -8.096 -8.927 -9.206 -9.568 -10.096 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.377 -4.322 -4.408 -4.564 -4.764 -4.995 -5.248 -5.519 -5.808 -6.112 -6.434 -6.776 -7.142 -7.542 -8.009 -8.808 -9.041 -9.309 -9.636 -10.059 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.375 -4.315 -4.398 -4.553 -4.753 -4.982 -5.234 -5.504 -5.790 -6.092 -6.411 -6.747 -7.104 -7.491 -7.930 -8.713 -8.923 -9.153 -9.412 -9.715 -10.082 -10.529 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.374 -4.308 -4.389 -4.543 -4.741 -4.969 -5.220 -5.489 -5.773 -6.073 -6.388 -6.719 -7.069 -7.443 -7.860 -8.632 -8.827 -9.035 -9.262 -9.513 -9.798 -10.128 -10.510 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.373 -4.301 -4.380 -4.532 -4.730 -4.957 -5.206 -5.474 -5.757 -6.054 -6.366 -6.692 -7.035 -7.399 -7.797 -8.562 -8.745 -8.939 -9.146 -9.369 -9.613 -9.883 -10.185 -10.524 -10.900 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.371 -4.295 -4.371 -4.522 -4.718 -4.945 -5.193 -5.459 -5.740 -6.036 -6.345 -6.667 -7.004 -7.359 -7.741 -8.498 -8.673 -8.856 -9.049 -9.254 -9.473 -9.709 -9.967 -10.248 -10.555 -10.887 -11.241 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.371 -4.288 -4.362 -4.512 -4.707 -4.933 -5.180 -5.445 -5.725 -6.018 -6.324 -6.643 -6.974 -7.321 -7.690 -8.439 -8.608 -8.783 -8.966 -9.158 -9.360 -9.575 -9.804 -10.049 -10.313 -10.595 -10.895 -11.209 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.370 -4.282 -4.353 -4.502 -4.696 -4.921 -5.167 -5.431 -5.709 -6.000 -6.304 -6.619 -6.946 -7.287 -7.645 -8.385 -8.549 -8.717 -8.892 -9.074 -9.264 -9.463 -9.673 -9.896 -10.131 -10.379 -10.641 -10.915 -11.198 -11.488 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.369 -4.276 -4.345 -4.492 -4.686 -4.909 -5.155 -5.417 -5.694 -5.983 -6.284 -6.597 -6.920 -7.255 -7.604 -8.335 -8.494 -8.657 -8.825 -8.999 -9.179 -9.367 -9.564 -9.769 -9.985 -10.210 -10.445 -10.690 -10.943 -11.202 -11.464 99999.999 99999.999 99999.999 99999.999 99999.999 -4.369 -4.270 -4.337 -4.483 -4.675 -4.898 -5.142 -5.404 -5.679 -5.967 -6.266 -6.575 -6.895 -7.225 -7.567 -8.288 -8.442 -8.601 -8.763 -8.931 -9.104 -9.283 -9.469 -9.662 -9.862 -10.071 -10.287 -10.511 -10.741 -10.977 -11.216 -11.456 -11.695 99999.999 99999.999 99999.999 -4.369 -4.265 -4.329 -4.474 -4.665 -4.887 -5.130 -5.390 -5.664 -5.950 -6.247 -6.554 -6.870 -7.196 -7.533 -8.244 -8.394 -8.548 -8.706 -8.868 -9.035 -9.207 -9.385 -9.568 -9.757 -9.953 -10.155 -10.362 -10.575 -10.793 -11.014 -11.236 -11.458 -11.679 99999.999 99999.999 -4.369 -4.259 -4.321 -4.464 -4.655 -4.876 -5.118 -5.377 -5.650 -5.934 -6.229 -6.534 -6.847 -7.170 -7.502 -8.201 -8.349 -8.499 -8.653 -8.811 -8.972 -9.138 -9.308 -9.484 -9.664 -9.850 -10.040 -10.236 -10.436 -10.639 -10.846 -11.054 -11.262 -11.469 -11.673 -11.873 -4.369 -4.254 -4.313 -4.455 -4.645 -4.865 -5.107 -5.365 -5.636 -5.919 -6.212 -6.514 -6.825 -7.144 -7.472 -8.161 -8.306 -8.453 -8.603 -8.757 -8.914 -9.074 -9.239 -9.408 -9.581 -9.758 -9.940 -10.125 -10.314 -10.507 -10.702 -10.898 -11.095 -11.291 -11.485 -11.676 -4.382 -4.209 -4.244 -4.373 -4.553 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-4.142 -4.288 -4.473 -4.683 -4.908 -5.142 -5.381 -5.625 -5.870 -6.117 -6.364 -6.611 -7.104 -7.202 -7.300 -7.398 -7.496 -7.594 -7.692 -7.790 -7.888 -7.985 -8.083 -8.180 -8.278 -8.376 -8.473 -8.571 -8.669 -8.767 -8.865 -8.963 -9.061 -4.607 -4.134 -4.042 -4.102 -4.238 -4.417 -4.622 -4.842 -5.072 -5.307 -5.545 -5.785 -6.026 -6.266 -6.506 -6.983 -7.078 -7.173 -7.267 -7.361 -7.456 -7.550 -7.644 -7.737 -7.831 -7.925 -8.018 -8.112 -8.205 -8.298 -8.392 -8.485 -8.578 -8.672 -8.765 -8.859 -4.672 -4.138 -4.020 -4.066 -4.193 -4.367 -4.567 -4.783 -5.008 -5.239 -5.473 -5.708 -5.943 -6.178 -6.412 -6.876 -6.968 -7.060 -7.151 -7.243 -7.334 -7.425 -7.516 -7.606 -7.697 -7.787 -7.877 -7.967 -8.057 -8.147 -8.237 -8.327 -8.417 -8.507 -8.596 -8.686 99999.999 -4.145 -4.002 -4.034 -4.153 -4.320 -4.515 -4.727 -4.949 -5.177 -5.407 -5.638 -5.868 -6.098 -6.327 -6.779 -6.869 -6.958 -7.048 -7.137 -7.225 -7.314 -7.402 -7.490 -7.578 -7.666 -7.753 -7.841 -7.928 -8.015 -8.102 -8.189 -8.276 -8.363 -8.450 -8.537 NH3,aq NH3(0) P-T:All Charge = 0. Radius(Å) = 9.99 Alk. = 1.000 Ref: Shock07 2 -1.000 1 1.000 32 10.069 9.241 8.538 7.931 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.069 9.241 8.538 7.931 7.401 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.069 9.241 8.538 7.931 7.401 6.933 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.070 9.241 8.538 7.931 7.401 6.933 6.516 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.070 9.242 8.539 7.932 7.402 6.934 6.516 6.140 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.071 9.243 8.539 7.932 7.402 6.934 6.517 6.141 5.799 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.072 9.244 8.540 7.933 7.403 6.935 6.517 6.142 5.800 5.487 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.074 9.245 8.542 7.935 7.405 6.936 6.519 6.143 5.802 5.489 5.199 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.076 9.248 8.544 7.937 7.407 6.938 6.521 6.145 5.803 5.491 5.202 4.931 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.079 9.250 8.546 7.939 7.409 6.941 6.523 6.147 5.806 5.493 5.205 4.934 4.677 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.083 9.254 8.550 7.943 7.412 6.944 6.526 6.150 5.809 5.497 5.208 4.939 4.683 4.432 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.089 9.259 8.555 7.947 7.416 6.948 6.530 6.154 5.813 5.501 5.213 4.945 4.690 4.443 4.186 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.093 9.263 8.558 7.950 7.420 6.951 6.533 6.157 5.816 5.505 5.217 4.949 4.696 4.451 4.202 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.099 9.269 8.563 7.955 7.424 6.955 6.538 6.162 5.821 5.509 5.222 4.955 4.703 4.462 4.220 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.105 9.274 8.568 7.960 7.429 6.960 6.542 6.166 5.825 5.514 5.227 4.961 4.710 4.471 4.235 3.744 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.111 9.279 8.574 7.965 7.434 6.964 6.546 6.170 5.830 5.519 5.232 4.966 4.717 4.480 4.248 3.825 3.712 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.117 9.285 8.579 7.970 7.438 6.969 6.551 6.175 5.834 5.523 5.237 4.972 4.724 4.489 4.260 3.851 3.760 3.659 3.538 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.123 9.290 8.584 7.975 7.443 6.973 6.555 6.179 5.838 5.528 5.242 4.977 4.730 4.496 4.271 3.868 3.783 3.696 3.602 3.497 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.129 9.296 8.589 7.979 7.447 6.978 6.559 6.183 5.843 5.532 5.246 4.982 4.736 4.504 4.281 3.881 3.800 3.718 3.633 3.544 3.449 3.346 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.134 9.301 8.594 7.984 7.452 6.982 6.563 6.187 5.847 5.536 5.251 4.987 4.741 4.511 4.290 3.892 3.813 3.734 3.654 3.572 3.488 3.399 3.305 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.140 9.306 8.599 7.989 7.456 6.986 6.568 6.192 5.851 5.541 5.256 4.992 4.747 4.517 4.299 3.902 3.825 3.748 3.670 3.592 3.513 3.432 3.348 3.261 3.171 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.146 9.312 8.604 7.993 7.461 6.991 6.572 6.196 5.855 5.545 5.260 4.997 4.752 4.523 4.307 3.911 3.835 3.759 3.684 3.608 3.532 3.455 3.377 3.297 3.216 3.132 3.048 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.152 9.317 8.609 7.998 7.465 6.995 6.576 6.200 5.860 5.549 5.264 5.002 4.757 4.529 4.314 3.920 3.844 3.769 3.695 3.621 3.547 3.473 3.399 3.324 3.247 3.170 3.092 3.013 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.158 9.323 8.614 8.003 7.470 6.999 6.580 6.204 5.864 5.553 5.269 5.006 4.762 4.535 4.320 3.927 3.852 3.779 3.705 3.633 3.561 3.489 3.416 3.344 3.271 3.198 3.125 3.051 2.976 2.903 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.163 9.328 8.619 8.008 7.474 7.004 6.584 6.208 5.868 5.557 5.273 5.011 4.767 4.540 4.327 3.935 3.860 3.787 3.715 3.643 3.572 3.502 3.431 3.361 3.291 3.221 3.150 3.080 3.009 2.939 2.870 99999.999 99999.999 99999.999 99999.999 99999.999 10.169 9.333 8.624 8.012 7.479 7.008 6.589 6.212 5.872 5.562 5.277 5.015 4.772 4.545 4.332 3.942 3.868 3.795 3.723 3.653 3.583 3.513 3.444 3.376 3.307 3.239 3.171 3.103 3.035 2.968 2.901 2.835 2.770 99999.999 99999.999 99999.999 10.175 9.338 8.629 8.017 7.483 7.012 6.593 6.216 5.876 5.566 5.281 5.019 4.776 4.550 4.338 3.948 3.875 3.803 3.731 3.661 3.592 3.524 3.456 3.388 3.321 3.255 3.189 3.123 3.057 2.992 2.927 2.864 2.801 2.739 99999.999 99999.999 10.181 9.344 8.634 8.022 7.487 7.016 6.597 6.220 5.880 5.570 5.286 5.024 4.781 4.555 4.343 3.955 3.881 3.810 3.739 3.669 3.601 3.533 3.466 3.400 3.334 3.269 3.204 3.139 3.076 3.012 2.949 2.887 2.826 2.766 2.706 2.648 10.186 9.349 8.638 8.026 7.492 7.020 6.601 6.224 5.884 5.574 5.290 5.028 4.785 4.559 4.348 3.961 3.888 3.816 3.746 3.677 3.609 3.542 3.476 3.410 3.345 3.281 3.217 3.154 3.092 3.030 2.968 2.908 2.848 2.789 2.731 2.674 10.243 9.401 8.687 8.072 7.535 7.062 6.641 6.264 5.923 5.612 5.329 5.068 4.826 4.602 4.393 4.013 3.942 3.873 3.805 3.738 3.673 3.609 3.547 3.485 3.425 3.365 3.307 3.249 3.192 3.137 3.082 3.028 2.974 2.922 2.870 2.820 10.299 9.453 8.735 8.117 7.578 7.103 6.680 6.301 5.960 5.649 5.365 5.104 4.864 4.640 4.432 4.056 3.986 3.918 3.851 3.786 3.722 3.659 3.598 3.538 3.479 3.421 3.365 3.309 3.254 3.201 3.148 3.096 3.045 2.995 2.946 2.897 10.353 9.503 8.782 8.161 7.619 7.142 6.718 6.338 5.996 5.684 5.400 5.139 4.899 4.676 4.468 4.094 4.024 3.956 3.890 3.826 3.763 3.701 3.640 3.581 3.523 3.466 3.411 3.356 3.303 3.250 3.198 3.148 3.098 3.049 3.001 2.954 10.408 9.553 8.828 8.204 7.661 7.181 6.756 6.374 6.030 5.718 5.434 5.172 4.932 4.709 4.502 4.128 4.059 3.992 3.926 3.862 3.799 3.738 3.678 3.619 3.561 3.505 3.450 3.396 3.343 3.291 3.240 3.190 3.141 3.093 3.046 2.999 10.461 9.603 8.874 8.248 7.701 7.220 6.793 6.410 6.065 5.752 5.466 5.205 4.964 4.741 4.534 4.161 4.092 4.024 3.959 3.895 3.832 3.771 3.711 3.653 3.596 3.540 3.485 3.432 3.379 3.328 3.277 3.228 3.179 3.132 3.085 3.039 10.514 9.652 8.920 8.290 7.741 7.258 6.829 6.445 6.098 5.784 5.498 5.236 4.994 4.771 4.564 4.191 4.122 4.055 3.990 3.926 3.863 3.802 3.743 3.685 3.628 3.572 3.518 3.464 3.412 3.361 3.311 3.261 3.213 3.166 3.119 3.074 10.567 9.701 8.965 8.333 7.781 7.296 6.865 6.479 6.132 5.817 5.529 5.266 5.025 4.801 4.594 4.220 4.151 4.084 4.019 3.955 3.893 3.832 3.773 3.714 3.658 3.602 3.548 3.495 3.442 3.391 3.341 3.292 3.244 3.197 3.151 3.105 99999.999 9.749 9.010 8.375 7.821 7.333 6.901 6.513 6.164 5.848 5.560 5.296 5.054 4.830 4.622 4.248 4.180 4.112 4.047 3.983 3.921 3.860 3.801 3.743 3.686 3.630 3.576 3.523 3.471 3.420 3.370 3.321 3.273 3.226 3.180 3.135 NH4+ NH4(1) P-T:All Charge = 1. Radius(Å) = 9.99 Alk. = 0.000 Ref: Shock07 2 1.000 1 1.000 48 -10.069 -9.241 -8.538 -7.931 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.069 -9.241 -8.538 -7.931 -7.401 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.069 -9.241 -8.538 -7.931 -7.401 -6.933 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-4.545 -4.332 -3.942 -3.868 -3.795 -3.723 -3.653 -3.583 -3.513 -3.444 -3.376 -3.307 -3.239 -3.171 -3.103 -3.035 -2.968 -2.901 -2.835 -2.770 99999.999 99999.999 99999.999 -10.175 -9.338 -8.629 -8.017 -7.483 -7.012 -6.593 -6.216 -5.876 -5.566 -5.281 -5.019 -4.776 -4.550 -4.338 -3.948 -3.875 -3.803 -3.731 -3.661 -3.592 -3.524 -3.456 -3.388 -3.321 -3.255 -3.189 -3.123 -3.057 -2.992 -2.927 -2.864 -2.801 -2.739 99999.999 99999.999 -10.181 -9.344 -8.634 -8.022 -7.487 -7.016 -6.597 -6.220 -5.880 -5.570 -5.286 -5.024 -4.781 -4.555 -4.343 -3.955 -3.881 -3.810 -3.739 -3.669 -3.601 -3.533 -3.466 -3.400 -3.334 -3.269 -3.204 -3.139 -3.076 -3.012 -2.949 -2.887 -2.826 -2.766 -2.706 -2.648 -10.186 -9.349 -8.638 -8.026 -7.492 -7.020 -6.601 -6.224 -5.884 -5.574 -5.290 -5.028 -4.785 -4.559 -4.348 -3.961 -3.888 -3.816 -3.746 -3.677 -3.609 -3.542 -3.476 -3.410 -3.345 -3.281 -3.217 -3.154 -3.092 -3.030 -2.968 -2.908 -2.848 -2.789 -2.731 -2.674 -10.243 -9.401 -8.687 -8.072 -7.535 -7.062 -6.641 -6.264 -5.923 -5.612 -5.329 -5.068 -4.826 -4.602 -4.393 -4.013 -3.942 -3.873 -3.805 -3.738 -3.673 -3.609 -3.547 -3.485 -3.425 -3.365 -3.307 -3.249 -3.192 -3.137 -3.082 -3.028 -2.974 -2.922 -2.870 -2.820 -10.299 -9.453 -8.735 -8.117 -7.578 -7.103 -6.680 -6.301 -5.960 -5.649 -5.365 -5.104 -4.864 -4.640 -4.432 -4.056 -3.986 -3.918 -3.851 -3.786 -3.722 -3.659 -3.598 -3.538 -3.479 -3.421 -3.365 -3.309 -3.254 -3.201 -3.148 -3.096 -3.045 -2.995 -2.946 -2.897 -10.353 -9.503 -8.782 -8.161 -7.619 -7.142 -6.718 -6.338 -5.996 -5.684 -5.400 -5.139 -4.899 -4.676 -4.468 -4.094 -4.024 -3.956 -3.890 -3.826 -3.763 -3.701 -3.640 -3.581 -3.523 -3.466 -3.411 -3.356 -3.303 -3.250 -3.198 -3.148 -3.098 -3.049 -3.001 -2.954 -10.408 -9.553 -8.828 -8.204 -7.661 -7.181 -6.756 -6.374 -6.030 -5.718 -5.434 -5.172 -4.932 -4.709 -4.502 -4.128 -4.059 -3.992 -3.926 -3.862 -3.799 -3.738 -3.678 -3.619 -3.561 -3.505 -3.450 -3.396 -3.343 -3.291 -3.240 -3.190 -3.141 -3.093 -3.046 -2.999 -10.461 -9.603 -8.874 -8.248 -7.701 -7.220 -6.793 -6.410 -6.065 -5.752 -5.466 -5.205 -4.964 -4.741 -4.534 -4.161 -4.092 -4.024 -3.959 -3.895 -3.832 -3.771 -3.711 -3.653 -3.596 -3.540 -3.485 -3.432 -3.379 -3.328 -3.277 -3.228 -3.179 -3.132 -3.085 -3.039 -10.514 -9.652 -8.920 -8.290 -7.741 -7.258 -6.829 -6.445 -6.098 -5.784 -5.498 -5.236 -4.994 -4.771 -4.564 -4.191 -4.122 -4.055 -3.990 -3.926 -3.863 -3.802 -3.743 -3.685 -3.628 -3.572 -3.518 -3.464 -3.412 -3.361 -3.311 -3.261 -3.213 -3.166 -3.119 -3.074 -10.567 -9.701 -8.965 -8.333 -7.781 -7.296 -6.865 -6.479 -6.132 -5.817 -5.529 -5.266 -5.025 -4.801 -4.594 -4.220 -4.151 -4.084 -4.019 -3.955 -3.893 -3.832 -3.773 -3.714 -3.658 -3.602 -3.548 -3.495 -3.442 -3.391 -3.341 -3.292 -3.244 -3.197 -3.151 -3.105 99999.999 -9.749 -9.010 -8.375 -7.821 -7.333 -6.901 -6.513 -6.164 -5.848 -5.560 -5.296 -5.054 -4.830 -4.622 -4.248 -4.180 -4.112 -4.047 -3.983 -3.921 -3.860 -3.801 -3.743 -3.686 -3.630 -3.576 -3.523 -3.471 -3.420 -3.370 -3.321 -3.273 -3.226 -3.180 -3.135 HNO2,aq HNO2 P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 5 -0.250 1 -0.750 6 -1.000 2 1.000 32 0.750 4 69.230 62.888 57.468 52.787 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.230 62.888 57.468 52.787 48.702 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.231 62.889 57.469 52.788 48.703 45.101 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.233 62.891 57.470 52.789 48.704 45.102 41.898 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.236 62.893 57.472 52.792 48.706 45.105 41.900 39.024 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.240 62.897 57.476 52.795 48.710 45.108 41.904 39.028 36.425 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.247 62.904 57.482 52.801 48.715 45.114 41.910 39.034 36.431 34.054 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.257 62.912 57.491 52.809 48.723 45.121 41.917 39.042 36.440 34.063 31.870 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.270 62.925 57.502 52.820 48.734 45.132 41.928 39.053 36.451 34.076 31.885 29.837 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.288 62.941 57.517 52.835 48.748 45.146 41.942 39.068 36.467 34.093 31.905 29.862 27.918 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.312 62.963 57.538 52.854 48.767 45.165 41.961 39.087 36.487 34.115 31.931 29.894 27.962 26.068 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.342 62.990 57.563 52.878 48.790 45.188 41.984 39.111 36.513 34.143 31.963 29.934 28.016 26.155 24.188 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.365 63.011 57.583 52.897 48.809 45.206 42.003 39.130 36.532 34.165 31.987 29.963 28.055 26.214 24.322 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.398 63.041 57.611 52.924 48.835 45.232 42.029 39.156 36.560 34.195 32.021 30.004 28.108 26.291 24.466 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.430 63.071 57.639 52.951 48.861 45.257 42.054 39.182 36.588 34.224 32.054 30.043 28.158 26.361 24.583 20.425 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.463 63.101 57.667 52.977 48.886 45.283 42.079 39.208 36.614 34.253 32.086 30.081 28.205 26.425 24.683 21.307 20.324 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.495 63.130 57.695 53.004 48.912 45.308 42.104 39.234 36.641 34.281 32.117 30.117 28.250 26.484 24.772 21.575 20.832 19.982 18.952 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.526 63.159 57.722 53.029 48.937 45.332 42.129 39.259 36.667 34.309 32.148 30.152 28.292 26.539 24.851 21.739 21.072 20.365 19.590 18.717 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.558 63.188 57.749 53.055 48.962 45.357 42.153 39.283 36.692 34.336 32.177 30.185 28.332 26.590 24.923 21.861 21.231 20.584 19.907 19.185 18.403 17.554 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.589 63.216 57.776 53.081 48.986 45.381 42.177 39.308 36.718 34.363 32.206 30.218 28.370 26.637 24.988 21.960 21.353 20.738 20.110 19.461 18.780 18.060 17.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.620 63.245 57.802 53.106 49.011 45.405 42.201 39.332 36.743 34.389 32.235 30.249 28.407 26.682 25.048 22.044 21.453 20.860 20.261 19.652 19.026 18.380 17.707 17.009 16.287 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.651 63.273 57.828 53.131 49.035 45.428 42.225 39.356 36.767 34.415 32.262 30.280 28.442 26.724 25.102 22.119 21.539 20.961 20.381 19.798 19.206 18.604 17.987 17.353 16.702 16.037 15.364 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.681 63.301 57.854 53.156 49.059 45.452 42.248 39.379 36.791 34.440 32.289 30.310 28.476 26.764 25.152 22.187 21.615 21.048 20.483 19.917 19.349 18.775 18.193 17.602 17.000 16.388 15.769 15.145 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.712 63.329 57.880 53.180 49.083 45.475 42.271 39.403 36.815 34.465 32.316 30.339 28.508 26.802 25.199 22.248 21.684 21.125 20.571 20.018 19.466 18.913 18.356 17.794 17.227 16.653 16.074 15.491 14.908 14.327 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.742 63.356 57.906 53.205 49.106 45.498 42.294 39.426 36.839 34.489 32.342 30.367 28.539 26.838 25.241 22.305 21.747 21.195 20.649 20.107 19.567 19.029 18.490 17.950 17.407 16.861 16.312 15.761 15.210 14.660 14.115 99999.999 99999.999 99999.999 99999.999 99999.999 69.771 63.383 57.932 53.229 49.130 45.521 42.317 39.448 36.862 34.513 32.367 30.394 28.570 26.872 25.281 22.359 21.805 21.259 20.720 20.186 19.656 19.129 18.604 18.080 17.555 17.030 16.504 15.978 15.452 14.928 14.407 13.892 13.384 99999.999 99999.999 99999.999 69.801 63.410 57.957 53.253 49.153 45.544 42.339 39.471 36.885 34.537 32.393 30.421 28.599 26.904 25.319 22.409 21.860 21.319 20.785 20.258 19.736 19.218 18.704 18.192 17.682 17.173 16.664 16.157 15.651 15.147 14.647 14.151 13.662 13.181 99999.999 99999.999 69.830 63.437 57.982 53.277 49.176 45.566 42.361 39.493 36.908 34.561 32.417 30.448 28.627 26.936 25.355 22.457 21.911 21.374 20.845 20.324 19.808 19.298 18.793 18.291 17.792 17.295 16.801 16.309 15.819 15.332 14.848 14.369 13.896 13.429 12.971 12.522 69.859 63.464 58.007 53.301 49.199 45.589 42.383 39.515 36.930 34.584 32.442 30.473 28.655 26.966 25.389 22.502 21.959 21.426 20.902 20.385 19.875 19.371 18.873 18.379 17.890 17.403 16.920 16.440 15.963 15.490 15.020 14.555 14.095 13.641 13.195 12.757 70.140 63.721 58.248 53.529 49.418 45.802 42.594 39.725 37.143 34.802 32.667 30.711 28.908 27.238 25.685 22.870 22.347 21.835 21.335 20.845 20.364 19.894 19.431 18.978 18.532 18.093 17.662 17.238 16.820 16.408 16.003 15.604 15.210 14.822 14.441 14.065 70.404 63.963 58.474 53.744 49.624 46.002 42.789 39.919 37.337 34.999 32.869 30.919 29.126 27.468 25.929 23.152 22.638 22.137 21.648 21.169 20.702 20.244 19.797 19.358 18.929 18.508 18.095 17.690 17.292 16.902 16.518 16.141 15.771 15.407 15.049 14.697 70.655 64.193 58.689 53.947 49.819 46.190 42.973 40.101 37.517 35.180 33.053 31.108 29.320 27.670 26.140 23.387 22.880 22.385 21.902 21.430 20.970 20.520 20.081 19.651 19.231 18.819 18.416 18.021 17.634 17.254 16.882 16.517 16.158 15.806 15.461 15.121 70.895 64.413 58.894 54.141 50.004 46.369 43.148 40.272 37.687 35.350 33.224 31.281 29.498 27.852 26.329 23.593 23.089 22.598 22.119 21.653 21.197 20.753 20.318 19.894 19.479 19.074 18.677 18.288 17.908 17.535 17.170 16.811 16.460 16.116 15.778 15.446 71.126 64.625 59.091 54.327 50.182 46.540 43.314 40.435 37.848 35.509 33.384 31.443 29.662 28.020 26.501 23.777 23.276 22.788 22.312 21.849 21.397 20.956 20.525 20.104 19.693 19.292 18.899 18.515 18.139 17.771 17.410 17.057 16.711 16.371 16.038 15.712 71.350 64.829 59.281 54.507 50.353 46.705 43.473 40.590 38.001 35.661 33.536 31.595 29.815 28.176 26.661 23.945 23.446 22.960 22.486 22.025 21.576 21.137 20.709 20.291 19.883 19.485 19.095 18.714 18.341 17.976 17.619 17.269 16.927 16.591 16.261 15.938 71.567 65.027 59.466 54.680 50.518 46.863 43.627 40.740 38.148 35.806 33.680 31.739 29.960 28.323 26.809 24.100 23.602 23.118 22.646 22.187 21.739 21.302 20.876 20.460 20.054 19.658 19.271 18.892 18.521 18.159 17.804 17.457 17.117 16.784 16.457 16.137 99999.999 65.220 59.645 54.849 50.678 47.017 43.776 40.884 38.289 35.945 33.818 31.876 30.098 28.461 26.949 24.244 23.748 23.264 22.794 22.336 21.890 21.454 21.030 20.616 20.211 19.816 19.431 19.054 18.685 18.325 17.972 17.626 17.288 16.957 16.632 16.314 HNO2,aq HNO2 P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 -1.000 1 -1.000 2 1.000 32 1.500 31 -44.844 -40.850 -37.362 -34.298 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -44.844 -40.850 -37.362 -34.298 -31.585 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -44.844 -40.850 -37.362 -34.298 -31.585 -29.162 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -44.845 -40.851 -37.363 -34.299 -31.586 -29.163 -26.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -44.846 -40.852 -37.364 -34.300 -31.587 -29.164 -26.984 -25.008 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -44.847 -40.853 -37.365 -34.302 -31.588 -29.165 -26.985 -25.009 -23.207 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 5 -1.250 1 -0.750 6 -1.000 2 1.000 32 0.750 4 72.720 66.113 60.513 55.710 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.720 66.113 60.513 55.710 51.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.721 66.114 60.514 55.711 51.546 47.901 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.769 66.157 60.554 55.748 51.582 47.934 44.715 41.851 39.287 36.977 34.886 32.983 31.246 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.788 66.175 60.570 55.764 51.596 47.948 44.728 41.864 39.299 36.989 34.898 32.994 31.257 29.673 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.814 66.198 60.591 55.783 51.615 47.966 44.745 41.880 39.315 37.005 34.913 33.009 31.271 29.682 28.259 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 72.916 66.290 60.677 55.863 51.690 48.037 44.813 41.946 39.379 37.067 34.974 33.071 31.332 29.738 28.271 25.954 25.679 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.943 66.315 60.699 55.884 51.710 48.056 44.831 41.963 39.396 37.084 34.991 33.087 31.348 29.754 28.287 25.863 25.475 25.149 24.890 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.970 66.339 60.722 55.905 51.729 48.075 44.849 41.980 39.412 37.100 35.007 33.103 31.364 29.770 28.304 25.827 25.402 25.014 24.668 24.365 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.996 66.363 60.744 55.926 51.749 48.093 44.867 41.998 39.429 37.116 35.023 33.118 31.380 29.786 28.320 25.811 25.369 24.954 24.568 24.214 23.890 23.590 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.023 66.387 60.766 55.946 51.768 48.112 44.884 42.014 39.446 37.132 35.038 33.134 31.395 29.802 28.337 25.804 25.354 24.924 24.518 24.136 23.779 23.447 23.134 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.049 66.411 60.788 55.967 51.787 48.130 44.902 42.031 39.462 37.148 35.054 33.149 31.410 29.817 28.353 25.804 25.347 24.909 24.491 24.093 23.716 23.361 23.026 22.707 22.400 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.075 66.435 60.810 55.987 51.807 48.148 44.919 42.048 39.478 37.164 35.069 33.164 31.425 29.832 28.368 25.806 25.345 24.902 24.476 24.068 23.679 23.309 22.957 22.622 22.301 21.993 21.693 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.101 66.458 60.831 56.007 51.825 48.166 44.936 42.065 39.494 37.179 35.084 33.179 31.440 29.847 28.383 25.811 25.347 24.900 24.469 24.055 23.658 23.277 22.913 22.565 22.232 21.913 21.605 21.306 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.127 66.481 60.853 56.027 51.844 48.184 44.953 42.081 39.510 37.195 35.100 33.194 31.455 29.861 28.397 25.818 25.352 24.902 24.467 24.048 23.645 23.257 22.885 22.528 22.185 21.856 21.539 21.233 20.936 20.648 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.152 66.504 60.874 56.047 51.863 48.202 44.970 42.097 39.526 37.210 35.115 33.209 31.469 29.875 28.411 25.826 25.358 24.905 24.468 24.046 23.638 23.246 22.867 22.503 22.153 21.816 21.491 21.178 20.875 20.581 20.296 99999.999 99999.999 99999.999 99999.999 99999.999 73.178 66.527 60.895 56.067 51.881 48.219 44.987 42.113 39.541 37.225 35.129 33.223 31.483 29.889 28.424 25.835 25.365 24.911 24.472 24.047 23.636 23.240 22.857 22.487 22.131 21.788 21.457 21.137 20.828 20.529 20.239 19.957 19.682 99999.999 99999.999 99999.999 73.203 66.550 60.916 56.086 51.900 48.237 45.004 42.129 39.557 37.241 35.144 33.238 31.497 29.903 28.437 25.844 25.373 24.918 24.477 24.050 23.637 23.237 22.851 22.478 22.117 21.769 21.432 21.107 20.793 20.489 20.194 19.908 19.629 19.359 99999.999 99999.999 73.228 66.573 60.937 56.106 51.918 48.254 45.020 42.145 39.572 37.256 35.159 33.252 31.511 29.916 28.450 25.854 25.382 24.926 24.483 24.055 23.640 23.238 22.849 22.473 22.108 21.756 21.416 21.086 20.767 20.458 20.159 19.869 19.587 19.313 19.046 18.786 73.253 66.595 60.957 56.125 51.936 48.271 45.037 42.161 39.588 37.270 35.173 33.266 31.525 29.929 28.463 25.864 25.392 24.934 24.491 24.061 23.644 23.241 22.849 22.471 22.104 21.748 21.404 21.071 20.748 20.436 20.132 19.838 19.553 19.275 19.005 18.743 73.494 66.813 61.158 56.312 52.112 48.438 45.196 42.314 39.735 37.413 35.312 33.402 31.657 30.058 28.587 25.975 25.499 25.036 24.588 24.152 23.728 23.316 22.916 22.527 22.148 21.780 21.422 21.073 20.733 20.403 20.081 19.767 19.461 19.164 18.873 18.590 73.724 67.019 61.348 56.488 52.278 48.595 45.346 42.458 39.874 37.548 35.443 33.529 31.782 30.180 28.706 26.087 25.609 25.145 24.694 24.256 23.831 23.417 23.014 22.622 22.240 21.869 21.507 21.154 20.810 20.475 20.148 19.829 19.518 19.214 18.917 18.628 73.943 67.216 61.529 56.657 52.437 48.745 45.489 42.595 40.005 37.675 35.567 33.650 31.899 30.295 28.819 26.195 25.716 25.251 24.799 24.360 23.933 23.518 23.114 22.721 22.338 21.965 21.601 21.247 20.901 20.564 20.236 19.915 19.601 19.296 18.997 18.705 74.155 67.406 61.703 56.819 52.589 48.889 45.626 42.726 40.131 37.797 35.685 33.765 32.011 30.404 28.926 26.298 25.818 25.352 24.900 24.460 24.032 23.616 23.211 22.817 22.434 22.060 21.695 21.340 20.994 20.656 20.326 20.004 19.690 19.383 19.084 18.791 74.360 67.589 61.871 56.975 52.735 49.028 45.757 42.852 40.252 37.913 35.798 33.874 32.119 30.509 29.028 26.396 25.916 25.450 24.996 24.556 24.128 23.711 23.305 22.911 22.526 22.152 21.787 21.431 21.084 20.746 20.415 20.093 19.778 19.471 19.170 18.877 74.559 67.766 62.034 57.126 52.877 49.162 45.885 42.973 40.369 38.026 35.907 33.980 32.221 30.610 29.127 26.491 26.010 25.543 25.089 24.648 24.219 23.802 23.396 23.000 22.615 22.240 21.875 21.519 21.171 20.832 20.502 20.179 19.863 19.556 19.255 18.961 74.753 67.939 62.192 57.273 53.015 49.292 46.008 43.091 40.482 38.135 36.012 34.082 32.321 30.706 29.221 26.582 26.100 25.633 25.178 24.736 24.307 23.889 23.482 23.087 22.701 22.326 21.960 21.603 21.255 20.916 20.585 20.261 19.946 19.638 19.336 19.042 99999.999 68.108 62.346 57.416 53.149 49.418 46.129 43.206 40.592 38.241 36.114 34.181 32.417 30.800 29.313 26.670 26.187 25.719 25.264 24.822 24.392 23.973 23.566 23.170 22.784 22.408 22.042 21.684 21.336 20.996 20.665 20.341 20.025 19.717 19.415 19.120 NO2- NO2(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 4 -2.000 1 -1.000 2 1.000 32 1.500 31 -41.354 -37.624 -34.316 -31.375 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.354 -37.624 -34.316 -31.375 -28.741 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.354 -37.625 -34.317 -31.375 -28.741 -26.362 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.355 -37.626 -34.317 -31.376 -28.742 -26.363 -24.197 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.357 -37.627 -34.319 -31.378 -28.744 -26.365 -24.199 -22.210 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.359 -37.630 -34.321 -31.380 -28.746 -26.367 -24.202 -22.213 -20.371 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.363 -37.633 -34.325 -31.384 -28.749 -26.371 -24.205 -22.217 -20.375 -18.652 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.368 -37.639 -34.330 -31.389 -28.755 -26.376 -24.211 -22.223 -20.381 -18.659 -17.028 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.375 -37.646 -34.337 -31.396 -28.762 -26.383 -24.218 -22.230 -20.390 -18.670 -17.041 -15.470 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.384 -37.656 -34.347 -31.405 -28.771 -26.393 -24.228 -22.241 -20.402 -18.683 -17.058 -15.494 -13.944 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.397 -37.668 -34.360 -31.418 -28.783 -26.405 -24.240 -22.254 -20.417 -18.700 -17.079 -15.523 -13.991 -12.390 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.413 -37.685 -34.376 -31.434 -28.799 -26.421 -24.257 -22.272 -20.435 -18.722 -17.105 -15.559 -14.045 -12.497 -10.642 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.426 -37.698 -34.389 -31.446 -28.811 -26.433 -24.269 -22.285 -20.450 -18.738 -17.125 -15.585 -14.084 -12.566 -10.860 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.444 -37.716 -34.407 -31.464 -28.829 -26.451 -24.287 -22.303 -20.470 -18.761 -17.153 -15.620 -14.135 -12.651 -11.060 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.462 -37.735 -34.425 -31.481 -28.846 -26.468 -24.305 -22.322 -20.490 -18.783 -17.179 -15.654 -14.181 -12.724 -11.204 -5.657 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.480 -37.753 -34.442 -31.499 -28.863 -26.485 -24.322 -22.340 -20.509 -18.805 -17.205 -15.686 -14.224 -12.788 -11.319 -7.660 -6.198 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.499 -37.771 -34.460 -31.516 -28.880 -26.502 -24.340 -22.358 -20.529 -18.827 -17.229 -15.716 -14.264 -12.846 -11.414 -8.221 -7.309 -6.146 -4.633 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.517 -37.790 -34.478 -31.533 -28.897 -26.519 -24.357 -22.376 -20.547 -18.847 -17.253 -15.745 -14.302 -12.899 -11.497 -8.528 -7.792 -6.948 -5.946 -4.747 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.535 -37.808 -34.496 -31.551 -28.914 -26.536 -24.374 -22.393 -20.566 -18.868 -17.276 -15.773 -14.337 -12.947 -11.570 -8.737 -8.086 -7.377 -6.587 -5.689 -4.669 -3.533 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.554 -37.826 -34.514 -31.568 -28.931 -26.552 -24.390 -22.410 -20.584 -18.887 -17.299 -15.799 -14.370 -12.991 -11.634 -8.895 -8.294 -7.658 -6.974 -6.228 -5.407 -4.503 -3.523 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.572 -37.844 -34.531 -31.585 -28.948 -26.569 -24.407 -22.428 -20.602 -18.907 -17.321 -15.825 -14.402 -13.032 -11.692 -9.021 -8.453 -7.863 -7.242 -6.583 -5.876 -5.113 -4.294 -3.422 -2.511 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.591 -37.863 -34.549 -31.602 -28.964 -26.585 -24.423 -22.444 -20.620 -18.926 -17.342 -15.850 -14.432 -13.071 -11.745 -9.127 -8.583 -8.023 -7.444 -6.839 -6.203 -5.530 -4.815 -4.060 -3.269 -2.450 -1.617 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.610 -37.881 -34.566 -31.619 -28.981 -26.602 -24.440 -22.461 -20.637 -18.945 -17.363 -15.874 -14.460 -13.107 -11.793 -9.218 -8.692 -8.155 -7.605 -7.037 -6.448 -5.834 -5.191 -4.517 -3.814 -3.085 -2.337 -1.579 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.628 -37.899 -34.584 -31.636 -28.997 -26.618 -24.456 -22.478 -20.655 -18.963 -17.383 -15.897 -14.488 -13.140 -11.838 -9.298 -8.785 -8.266 -7.738 -7.197 -6.642 -6.069 -5.475 -4.859 -4.220 -3.560 -2.882 -2.191 -1.493 -0.796 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.647 -37.917 -34.601 -31.653 -29.013 -26.634 -24.472 -22.494 -20.672 -18.981 -17.403 -15.919 -14.514 -13.172 -11.879 -9.370 -8.868 -8.362 -7.851 -7.331 -6.801 -6.258 -5.700 -5.127 -4.535 -3.927 -3.304 -2.668 -2.024 -1.376 -0.729 99999.999 99999.999 99999.999 99999.999 99999.999 -41.666 -37.936 -34.619 -31.669 -29.030 -26.650 -24.488 -22.510 -20.688 -18.999 -17.422 -15.941 -14.539 -13.203 -11.917 -9.434 -8.942 -8.447 -7.949 -7.445 -6.934 -6.415 -5.884 -5.342 -4.787 -4.219 -3.639 -3.047 -2.447 -1.842 -1.236 -0.631 -0.033 99999.999 99999.999 99999.999 -41.685 -37.954 -34.636 -31.686 -29.046 -26.666 -24.504 -22.526 -20.705 -19.017 -17.442 -15.962 -14.564 -13.232 -11.952 -9.493 -9.008 -8.523 -8.035 -7.545 -7.049 -6.548 -6.039 -5.521 -4.994 -4.457 -3.911 -3.355 -2.791 -2.223 -1.651 -1.080 -0.512 0.050 99999.999 99999.999 -41.704 -37.972 -34.654 -31.703 -29.062 -26.681 -24.519 -22.542 -20.721 -19.034 -17.460 -15.983 -14.587 -13.260 -11.986 -9.548 -9.069 -8.592 -8.113 -7.633 -7.150 -6.664 -6.172 -5.673 -5.168 -4.656 -4.136 -3.609 -3.076 -2.538 -1.997 -1.455 -0.914 -0.377 0.153 0.676 -41.723 -37.990 -34.671 -31.719 -29.078 -26.697 -24.535 -22.558 -20.738 -19.051 -17.479 -16.003 -14.610 -13.286 -12.018 -9.598 -9.125 -8.654 -8.184 -7.713 -7.240 -6.765 -6.287 -5.805 -5.318 -4.825 -4.327 -3.823 -3.315 -2.802 -2.287 -1.770 -1.254 -0.741 -0.231 0.272 -41.913 -38.171 -34.842 -31.883 -29.235 -26.850 -24.686 -22.709 -20.892 -19.211 -17.648 -16.186 -14.812 -13.514 -12.280 -9.972 -9.531 -9.096 -8.666 -8.240 -7.820 -7.403 -6.990 -6.580 -6.173 -5.769 -5.367 -4.967 -4.570 -4.174 -3.781 -3.389 -2.999 -2.612 -2.226 -1.843 -42.107 -38.351 -35.011 -32.042 -29.388 -26.997 -24.830 -22.851 -21.034 -19.356 -17.798 -16.344 -14.981 -13.697 -12.482 -10.226 -9.799 -9.379 -8.965 -8.558 -8.156 -7.761 -7.370 -6.985 -6.604 -6.228 -5.856 -5.489 -5.125 -4.765 -4.409 -4.056 -3.707 -3.361 -3.019 -2.680 -42.303 -38.531 -35.178 -32.199 -29.536 -27.140 -24.968 -22.987 -21.169 -19.492 -17.936 -16.487 -15.130 -13.854 -12.650 -10.425 -10.005 -9.594 -9.189 -8.791 -8.400 -8.015 -7.636 -7.263 -6.895 -6.533 -6.175 -5.823 -5.475 -5.132 -4.793 -4.458 -4.127 -3.801 -3.478 -3.159 -42.502 -38.711 -35.343 -32.353 -29.682 -27.279 -25.102 -23.117 -21.298 -19.620 -18.065 -16.618 -15.265 -13.995 -12.798 -10.592 -10.177 -9.771 -9.371 -8.979 -8.594 -8.216 -7.844 -7.478 -7.118 -6.763 -6.414 -6.071 -5.732 -5.398 -5.069 -4.744 -4.424 -4.107 -3.795 -3.487 -42.702 -38.890 -35.508 -32.506 -29.826 -27.415 -25.233 -23.244 -21.422 -19.742 -18.188 -16.741 -15.390 -14.124 -12.931 -10.739 -10.327 -9.924 -9.528 -9.140 -8.759 -8.385 -8.017 -7.656 -7.301 -6.952 -6.608 -6.270 -5.937 -5.608 -5.285 -4.967 -4.653 -4.343 -4.038 -3.737 -42.905 -39.070 -35.671 -32.657 -29.967 -27.549 -25.361 -23.368 -21.542 -19.861 -18.305 -16.859 -15.509 -14.244 -13.055 -10.871 -10.462 -10.060 -9.667 -9.282 -8.904 -8.532 -8.168 -7.810 -7.458 -7.112 -6.772 -6.437 -6.108 -5.784 -5.465 -5.151 -4.841 -4.536 -4.235 -3.938 -43.110 -39.250 -35.834 -32.807 -30.108 -27.682 -25.487 -23.489 -21.660 -19.976 -18.418 -16.972 -15.622 -14.358 -13.171 -10.992 -10.585 -10.185 -9.794 -9.410 -9.034 -8.664 -8.302 -7.946 -7.597 -7.253 -6.916 -6.584 -6.257 -5.936 -5.620 -5.308 -5.002 -4.700 -4.402 -4.108 99999.999 -39.431 -35.997 -32.957 -30.247 -27.813 -25.612 -23.609 -21.775 -20.088 -18.529 -17.081 -15.730 -14.467 -13.280 -11.106 -10.699 -10.301 -9.910 -9.528 -9.153 -8.785 -8.424 -8.070 -7.722 -7.381 -7.045 -6.715 -6.390 -6.071 -5.757 -5.447 -5.143 -4.843 -4.547 -4.256 HNO3,aq HNO3(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 -1.000 1 1.000 32 2.000 31 -1.000 2 -56.569 -51.557 -47.183 -43.343 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -56.569 -51.557 -47.183 -43.343 -39.942 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -56.570 -51.557 -47.184 -43.344 -39.943 -36.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -56.598 -51.587 -47.214 -43.372 -39.970 -36.932 -34.198 -31.721 -29.461 -27.386 -25.470 -23.686 -22.006 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -56.610 -51.600 -47.226 -43.384 -39.982 -36.943 -34.208 -31.731 -29.471 -27.396 -25.480 -23.698 -22.023 -20.413 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -56.626 -51.617 -47.242 -43.400 -39.996 -36.957 -34.222 -31.743 -29.483 -27.409 -25.493 -23.713 -22.042 -20.449 -18.828 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -56.638 -51.630 -47.255 -43.412 -40.008 -36.968 -34.232 -31.753 -29.493 -27.418 -25.503 -23.724 -22.056 -20.471 -18.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -56.656 -51.648 -47.273 -43.429 -40.024 -36.983 -34.247 -31.768 -29.507 -27.432 -25.518 -23.739 -22.075 -20.499 -18.973 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -56.675 -51.667 -47.291 -43.446 -40.040 -36.999 -34.262 -31.782 -29.520 -27.446 -25.532 -23.754 -22.092 -20.523 -19.018 -15.078 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -56.693 -51.686 -47.309 -43.463 -40.057 -37.014 -34.276 -31.796 -29.534 -27.459 -25.545 -23.769 -22.109 -20.545 -19.052 -15.874 -14.985 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -56.712 -51.704 -47.327 -43.481 -40.073 -37.029 -34.291 -31.810 -29.548 -27.473 -25.559 -23.783 -22.124 -20.564 -19.081 -16.098 -15.425 -14.665 -13.793 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -56.730 -51.723 -47.345 -43.498 -40.089 -37.045 -34.306 -31.824 -29.561 -27.486 -25.572 -23.797 -22.140 -20.582 -19.106 -16.218 -15.616 -14.979 -14.291 -13.544 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -56.749 -51.742 -47.363 -43.515 -40.105 -37.060 -34.320 -31.838 -29.575 -27.499 -25.585 -23.810 -22.154 -20.599 -19.128 -16.298 -15.729 -15.146 -14.539 -13.900 -13.227 -12.528 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -56.769 -51.761 -47.382 -43.532 -40.122 -37.076 -34.335 -31.852 -29.588 -27.513 -25.598 -23.824 -22.169 -20.616 -19.148 -16.358 -15.809 -15.253 -14.688 -14.106 -13.505 -12.882 -12.245 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -56.788 -51.780 -47.400 -43.549 -40.138 -37.091 -34.349 -31.866 -29.602 -27.526 -25.611 -23.837 -22.183 -20.631 -19.167 -16.406 -15.869 -15.331 -14.790 -14.241 -13.682 -13.110 -12.526 -11.933 -11.338 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -56.807 -51.800 -47.418 -43.567 -40.154 -37.106 -34.364 -31.880 -29.615 -27.539 -25.624 -23.850 -22.196 -20.646 -19.185 -16.446 -15.917 -15.392 -14.866 -14.338 -13.805 -13.266 -12.719 -12.166 -11.607 -11.049 -10.495 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -56.827 -51.819 -47.436 -43.584 -40.170 -37.122 -34.378 -31.893 -29.628 -27.551 -25.637 -23.863 -22.210 -20.661 -19.202 -16.480 -15.958 -15.441 -14.926 -14.412 -13.897 -13.380 -12.859 -12.334 -11.805 -11.275 -10.746 -10.222 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -56.847 -51.838 -47.455 -43.601 -40.187 -37.137 -34.393 -31.907 -29.642 -27.564 -25.650 -23.875 -22.223 -20.675 -19.218 -16.510 -15.993 -15.482 -14.975 -14.472 -13.969 -13.467 -12.964 -12.460 -11.954 -11.447 -10.941 -10.436 -9.937 -9.445 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -56.867 -51.858 -47.473 -43.618 -40.203 -37.152 -34.407 -31.921 -29.655 -27.577 -25.662 -23.888 -22.236 -20.689 -19.234 -16.537 -16.024 -15.518 -15.017 -14.521 -14.028 -13.537 -13.048 -12.558 -12.069 -11.581 -11.092 -10.606 -10.123 -9.645 -9.174 99999.999 99999.999 99999.999 99999.999 99999.999 -56.887 -51.877 -47.491 -43.636 -40.219 -37.167 -34.422 -31.935 -29.668 -27.590 -25.675 -23.900 -22.249 -20.703 -19.249 -16.561 -16.052 -15.549 -15.054 -14.563 -14.077 -13.595 -13.115 -12.638 -12.161 -11.687 -11.214 -10.742 -10.274 -9.810 -9.350 -8.897 -8.452 99999.999 99999.999 99999.999 -56.907 -51.897 -47.510 -43.653 -40.235 -37.183 -34.436 -31.948 -29.681 -27.602 -25.687 -23.913 -22.261 -20.717 -19.264 -16.584 -16.077 -15.578 -15.086 -14.600 -14.119 -13.644 -13.172 -12.703 -12.237 -11.773 -11.312 -10.853 -10.397 -9.945 -9.497 -9.054 -8.618 -8.188 99999.999 99999.999 -56.928 -51.916 -47.528 -43.670 -40.251 -37.198 -34.451 -31.962 -29.694 -27.615 -25.699 -23.925 -22.274 -20.730 -19.279 -16.605 -16.100 -15.603 -15.114 -14.632 -14.156 -13.686 -13.220 -12.758 -12.300 -11.845 -11.393 -10.945 -10.499 -10.057 -9.619 -9.186 -8.758 -8.337 -7.921 -7.513 -56.948 -51.936 -47.547 -43.687 -40.268 -37.213 -34.465 -31.976 -29.707 -27.628 -25.712 -23.937 -22.286 -20.743 -19.293 -16.624 -16.121 -15.627 -15.141 -14.662 -14.189 -13.723 -13.262 -12.806 -12.354 -11.906 -11.462 -11.022 -10.585 -10.152 -9.723 -9.298 -8.878 -8.464 -8.056 -7.654 -57.161 -52.135 -47.733 -43.861 -40.429 -37.365 -34.608 -32.111 -29.836 -27.751 -25.831 -24.055 -22.403 -20.862 -19.418 -16.777 -16.283 -15.799 -15.325 -14.861 -14.405 -13.957 -13.518 -13.086 -12.662 -12.244 -11.833 -11.429 -11.030 -10.638 -10.251 -9.870 -9.494 -9.123 -8.758 -8.397 -57.384 -52.340 -47.921 -44.035 -40.591 -37.516 -34.750 -32.245 -29.963 -27.872 -25.947 -24.167 -22.513 -20.971 -19.528 -16.894 -16.403 -15.922 -15.452 -14.992 -14.541 -14.099 -13.665 -13.240 -12.823 -12.413 -12.011 -11.617 -11.228 -10.847 -10.472 -10.103 -9.740 -9.383 -9.032 -8.686 -57.616 -52.549 -48.111 -44.210 -40.753 -37.667 -34.891 -32.378 -30.088 -27.991 -26.061 -24.276 -22.619 -21.074 -19.630 -16.996 -16.506 -16.027 -15.557 -15.098 -14.649 -14.209 -13.778 -13.355 -12.941 -12.535 -12.136 -11.744 -11.360 -10.983 -10.612 -10.248 -9.890 -9.538 -9.192 -8.852 -57.855 -52.761 -48.303 -44.386 -40.916 -37.818 -35.032 -32.510 -30.213 -28.109 -26.174 -24.384 -22.723 -21.175 -19.727 -17.092 -16.601 -16.122 -15.653 -15.194 -14.745 -14.306 -13.875 -13.453 -13.040 -12.635 -12.237 -11.848 -11.465 -11.089 -10.721 -10.358 -10.002 -9.653 -9.309 -8.971 -58.100 -52.976 -48.497 -44.562 -41.078 -37.969 -35.173 -32.642 -30.337 -28.227 -26.285 -24.491 -22.825 -21.273 -19.823 -17.183 -16.691 -16.212 -15.742 -15.283 -14.834 -14.395 -13.964 -13.543 -13.129 -12.725 -12.327 -11.938 -11.556 -11.181 -10.813 -10.451 -10.096 -9.748 -9.405 -9.068 -58.351 -53.193 -48.692 -44.740 -41.242 -38.120 -35.314 -32.774 -30.461 -28.344 -26.396 -24.596 -22.926 -21.370 -19.916 -17.271 -16.779 -16.298 -15.828 -15.369 -14.919 -14.479 -14.048 -13.626 -13.213 -12.808 -12.411 -12.021 -11.639 -11.264 -10.896 -10.535 -10.180 -9.832 -9.489 -9.153 -58.606 -53.414 -48.888 -44.918 -41.405 -38.271 -35.455 -32.906 -30.585 -28.461 -26.507 -24.702 -23.027 -21.467 -20.009 -17.358 -16.865 -16.383 -15.912 -15.452 -15.002 -14.561 -14.130 -13.707 -13.293 -12.888 -12.490 -12.100 -11.718 -11.343 -10.974 -10.613 -10.258 -9.909 -9.567 -9.230 99999.999 -53.636 -49.086 -45.097 -41.569 -38.423 -35.596 -33.038 -30.709 -28.578 -26.618 -24.807 -23.127 -21.563 -20.101 -17.443 -16.949 -16.467 -15.995 -15.534 -15.082 -14.641 -14.209 -13.785 -13.371 -12.965 -12.566 -12.176 -11.793 -11.417 -11.049 -10.687 -10.332 -9.983 -9.640 -9.303 HNO3,aq HNO3(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 1.000 32 1.000 4 -1.000 6 -1.000 2 95.530 86.760 79.256 72.770 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.530 86.760 79.256 72.770 67.106 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.531 86.761 79.257 72.771 67.107 62.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.533 86.763 79.259 72.773 67.109 62.114 57.667 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.537 86.767 79.262 72.776 67.112 62.117 57.670 53.678 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.543 86.772 79.267 72.781 67.117 62.121 57.675 53.683 50.069 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.552 86.781 79.275 72.788 67.124 62.128 57.682 53.691 50.077 46.775 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.565 86.792 79.286 72.799 67.134 62.138 57.692 53.701 50.088 46.788 43.741 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.582 86.808 79.301 72.813 67.148 62.152 57.706 53.716 50.103 46.805 43.761 40.916 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.606 86.830 79.321 72.833 67.167 62.171 57.725 53.735 50.124 46.827 43.788 40.949 38.247 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.637 86.858 79.347 72.858 67.191 62.195 57.749 53.760 50.150 46.857 43.822 40.992 38.307 35.670 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.676 86.894 79.381 72.890 67.222 62.226 57.780 53.792 50.184 46.893 43.864 41.045 38.380 35.790 33.040 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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47.146 44.147 41.378 38.801 36.378 34.059 29.765 28.878 27.962 27.001 25.971 24.852 23.636 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 96.000 87.190 79.658 73.153 67.477 62.476 58.031 54.048 50.451 47.180 44.184 41.421 38.852 36.442 34.146 29.907 29.054 28.189 27.301 26.379 25.411 24.384 23.298 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 96.041 87.227 79.692 73.186 67.509 62.507 58.062 54.079 50.484 47.214 44.221 41.462 38.900 36.501 34.226 30.027 29.198 28.364 27.520 26.660 25.774 24.856 23.900 22.905 21.878 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 96.081 87.263 79.726 73.218 67.540 62.538 58.093 54.110 50.515 47.248 44.257 41.502 38.947 36.557 34.299 30.133 29.320 28.509 27.694 26.872 26.038 25.185 24.310 23.410 22.486 21.542 20.586 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34.539 30.464 29.691 28.928 28.174 27.426 26.683 25.944 25.206 24.469 23.730 22.990 22.247 21.503 20.760 20.019 19.282 18.553 17.835 99999.999 99999.999 99999.999 96.277 87.442 79.893 73.377 67.693 62.687 58.240 54.259 50.668 47.407 44.427 41.687 39.153 36.796 34.589 30.533 29.766 29.010 28.264 27.527 26.796 26.070 25.348 24.629 23.912 23.195 22.479 21.763 21.049 20.337 19.630 18.929 18.238 17.557 99999.999 99999.999 96.315 87.476 79.925 73.407 67.722 62.716 58.269 54.288 50.698 47.438 44.459 41.722 39.191 36.838 34.636 30.597 29.836 29.086 28.348 27.618 26.897 26.183 25.474 24.770 24.069 23.371 22.675 21.982 21.291 20.604 19.921 19.245 18.576 17.917 17.269 16.634 96.353 87.511 79.958 73.438 67.752 62.745 58.298 54.316 50.727 47.468 44.491 41.755 39.227 36.878 34.682 30.659 29.902 29.158 28.425 27.703 26.990 26.285 25.587 24.895 24.208 23.525 22.846 22.171 21.499 20.832 20.170 19.513 18.864 18.224 17.593 16.974 96.717 87.843 80.267 73.732 68.034 63.019 58.568 54.586 51.000 47.748 44.782 42.063 39.556 37.233 35.072 31.152 30.423 29.710 29.012 28.329 27.659 27.002 26.357 25.723 25.100 24.488 23.885 23.292 22.707 22.131 21.564 21.005 20.453 19.910 19.375 18.847 97.057 88.154 80.557 74.006 68.296 63.274 58.817 54.834 51.248 48.000 45.041 42.331 39.837 37.531 35.389 31.523 30.807 30.109 29.427 28.760 28.109 27.471 26.847 26.235 25.636 25.049 24.472 23.907 23.352 22.806 22.270 21.744 21.226 20.717 20.217 19.724 97.380 88.448 80.831 74.265 68.544 63.513 59.051 55.064 51.478 48.231 45.276 42.572 40.086 37.791 35.662 31.830 31.122 30.433 29.760 29.103 28.461 27.835 27.222 26.622 26.036 25.462 24.899 24.348 23.808 23.278 22.759 22.249 21.748 21.257 20.774 20.300 97.687 88.728 81.092 74.511 68.779 63.739 59.271 55.281 51.692 48.446 45.493 42.793 40.312 38.024 35.904 32.095 31.393 30.709 30.042 29.392 28.757 28.137 27.532 26.940 26.362 25.796 25.242 24.700 24.169 23.649 23.139 22.639 22.149 21.668 21.196 20.733 97.982 88.996 81.341 74.746 69.003 63.955 59.481 55.486 51.895 48.647 45.695 42.997 40.520 38.237 36.124 32.331 31.633 30.953 30.290 29.645 29.014 28.400 27.799 27.213 26.640 26.080 25.532 24.996 24.471 23.958 23.455 22.962 22.478 22.004 21.540 21.083 98.267 89.255 81.581 74.972 69.218 64.161 59.681 55.681 52.087 48.838 45.886 43.189 40.714 38.435 36.326 32.545 31.850 31.173 30.513 29.871 29.244 28.633 28.036 27.454 26.885 26.329 25.785 25.253 24.733 24.224 23.726 23.238 22.759 22.290 21.831 21.380 98.544 89.506 81.813 75.189 69.425 64.360 59.873 55.869 52.271 49.020 46.066 43.370 40.897 38.619 36.514 32.741 32.048 31.374 30.717 30.076 29.452 28.844 28.250 27.670 27.104 26.551 26.011 25.482 24.966 24.460 23.965 23.480 23.006 22.540 22.084 21.637 99999.999 89.749 82.038 75.400 69.625 64.552 60.058 56.049 52.447 49.194 46.239 43.542 41.069 38.793 36.690 32.924 32.233 31.560 30.904 30.266 29.644 29.037 28.445 27.868 27.304 26.753 26.215 25.689 25.175 24.672 24.180 23.698 23.226 22.763 22.310 21.866 NO3- NO3(-) P-T:All Charge =-1. 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-27.789 -25.668 -23.699 -21.860 -20.137 -18.516 -15.533 -14.973 -14.423 -13.884 -13.355 -12.835 -12.324 -11.822 -11.328 -10.842 -10.363 -9.892 -9.428 -8.971 -8.520 -8.075 -7.637 -7.204 -6.777 -6.356 -5.940 -60.001 -54.526 -49.754 -45.558 -41.832 -38.497 -35.488 -32.754 -30.256 -27.960 -25.839 -23.870 -22.034 -20.316 -18.701 -15.738 -15.183 -14.638 -14.105 -13.582 -13.069 -12.565 -12.070 -11.584 -11.106 -10.636 -10.174 -9.719 -9.272 -8.831 -8.397 -7.970 -7.549 -7.133 -6.724 -6.320 -60.329 -54.801 -49.998 -45.779 -42.037 -38.689 -35.670 -32.929 -30.425 -28.126 -26.002 -24.033 -22.198 -20.482 -18.871 -15.919 -15.367 -14.827 -14.297 -13.778 -13.268 -12.769 -12.279 -11.798 -11.325 -10.860 -10.404 -9.955 -9.514 -9.080 -8.652 -8.232 -7.817 -7.409 -7.007 -6.611 -60.659 -55.076 -50.240 -45.999 -42.240 -38.878 -35.849 -33.100 -30.590 -28.286 -26.159 -24.188 -22.353 -20.638 -19.029 -16.085 -15.535 -14.996 -14.469 -13.952 -13.446 -12.949 -12.462 -11.984 -11.515 -11.054 -10.601 -10.156 -9.719 -9.289 -8.866 -8.450 -8.040 -7.637 -7.239 -6.848 -60.991 -55.352 -50.482 -46.217 -42.440 -39.066 -36.026 -33.268 -30.752 -28.442 -26.312 -24.338 -22.501 -20.786 -19.178 -16.238 -15.689 -15.152 -14.627 -14.112 -13.607 -13.112 -12.627 -12.151 -11.685 -11.226 -10.776 -10.334 -9.899 -9.472 -9.052 -8.638 -8.232 -7.831 -7.437 -7.049 99999.999 -55.628 -50.722 -46.433 -42.640 -39.251 -36.200 -33.434 -30.910 -28.595 -26.461 -24.484 -22.645 -20.928 -19.320 -16.383 -15.835 -15.298 -14.773 -14.260 -13.756 -13.263 -12.779 -12.305 -11.839 -11.383 -10.934 -10.494 -10.061 -9.636 -9.217 -8.806 -8.402 -8.003 -7.612 -7.226 NO3- NO3(-) P-T:All Charge =-1. Radius(Å) = 2.97 Alk. = 0.000 Ref: Shock07 5 -1.000 1 1.000 32 1.000 4 -1.000 6 -1.000 2 93.990 85.458 78.204 71.968 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.990 85.458 78.204 71.968 66.550 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.991 85.459 78.205 71.969 66.551 61.798 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.992 85.460 78.206 71.970 66.552 61.799 57.593 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.995 85.463 78.209 71.973 66.554 61.801 57.595 53.845 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.999 85.467 78.213 71.976 66.558 61.805 57.599 53.849 50.481 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.006 85.473 78.218 71.982 66.563 61.810 57.604 53.854 50.486 47.441 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.015 85.482 78.227 71.990 66.571 61.817 57.611 53.861 50.493 47.448 44.677 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.028 85.494 78.239 72.001 66.582 61.828 57.621 53.871 50.503 47.459 44.688 42.150 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.045 85.510 78.254 72.016 66.596 61.841 57.635 53.884 50.516 47.472 44.703 42.166 39.826 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.067 85.531 78.274 72.035 66.614 61.859 57.652 53.901 50.534 47.490 44.721 42.186 39.849 37.680 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.095 85.559 78.300 72.060 66.638 61.882 57.675 53.924 50.556 47.512 44.745 42.212 39.879 37.713 35.688 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.117 85.580 78.320 72.079 66.656 61.900 57.692 53.941 50.573 47.530 44.763 42.232 39.901 37.739 35.709 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.147 85.609 78.348 72.106 66.682 61.925 57.717 53.965 50.597 47.554 44.789 42.259 39.932 37.776 35.751 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.178 85.639 78.376 72.133 66.708 61.950 57.741 53.989 50.621 47.579 44.814 42.286 39.962 37.811 35.795 32.709 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.209 85.668 78.404 72.159 66.734 61.975 57.765 54.012 50.645 47.602 44.838 42.312 39.992 37.846 35.838 32.523 31.974 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.239 85.697 78.432 72.186 66.759 61.999 57.789 54.036 50.668 47.626 44.862 42.338 40.020 37.878 35.880 32.496 31.891 31.323 30.774 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.268 85.726 78.459 72.212 66.784 62.023 57.812 54.059 50.691 47.649 44.886 42.363 40.047 37.910 35.919 32.499 31.876 31.280 30.711 30.158 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.298 85.754 78.486 72.238 66.809 62.047 57.836 54.082 50.714 47.672 44.910 42.388 40.074 37.940 35.957 32.513 31.882 31.274 30.688 30.124 29.574 29.027 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.327 85.783 78.513 72.263 66.833 62.071 57.859 54.105 50.736 47.695 44.933 42.412 40.100 37.969 35.992 32.532 31.897 31.282 30.688 30.114 29.558 29.015 28.480 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.356 85.811 78.540 72.289 66.858 62.095 57.882 54.127 50.758 47.717 44.955 42.435 40.125 37.996 36.024 32.553 31.916 31.298 30.699 30.119 29.556 29.010 28.476 27.952 27.434 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.385 85.838 78.567 72.314 66.882 62.118 57.904 54.150 50.781 47.739 44.978 42.459 40.149 38.023 36.055 32.575 31.936 31.316 30.715 30.131 29.564 29.014 28.478 27.956 27.443 26.938 26.439 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.413 85.866 78.593 72.339 66.906 62.141 57.927 54.172 50.802 47.761 45.000 42.481 40.173 38.048 36.084 32.597 31.958 31.337 30.733 30.147 29.578 29.025 28.487 27.963 27.451 26.950 26.458 25.974 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.442 85.893 78.619 72.364 66.930 62.164 57.949 54.193 50.824 47.782 45.022 42.503 40.196 38.073 36.111 32.620 31.980 31.358 30.754 30.166 29.595 29.040 28.500 27.974 27.462 26.961 26.472 25.992 25.522 25.060 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.470 85.920 78.645 72.389 66.953 62.187 57.971 54.215 50.845 47.804 45.043 42.525 40.218 38.096 36.136 32.643 32.002 31.380 30.775 30.187 29.615 29.058 28.516 27.989 27.475 26.974 26.485 26.007 25.540 25.082 24.634 99999.999 99999.999 99999.999 99999.999 99999.999 94.498 85.947 78.670 72.413 66.977 62.209 57.993 54.237 50.867 47.825 45.064 42.547 40.240 38.119 36.161 32.665 32.025 31.402 30.797 30.208 29.635 29.078 28.535 28.006 27.492 26.990 26.500 26.022 25.556 25.100 24.653 24.217 23.791 99999.999 99999.999 99999.999 94.525 85.974 78.696 72.437 67.000 62.232 58.015 54.258 50.888 47.846 45.085 42.568 40.262 38.141 36.183 32.688 32.047 31.425 30.819 30.230 29.657 29.098 28.555 28.025 27.510 27.007 26.517 26.039 25.572 25.116 24.671 24.236 23.811 23.396 99999.999 99999.999 94.553 86.001 78.721 72.462 67.023 62.254 58.037 54.279 50.908 47.866 45.106 42.589 40.283 38.163 36.206 32.710 32.070 31.447 30.841 30.252 29.678 29.120 28.576 28.046 27.529 27.026 26.535 26.056 25.589 25.133 24.688 24.254 23.829 23.415 23.011 22.616 94.580 86.027 78.746 72.486 67.046 62.276 58.058 54.300 50.929 47.887 45.127 42.609 40.304 38.184 36.227 32.732 32.092 31.469 30.863 30.274 29.700 29.141 28.597 28.066 27.550 27.046 26.554 26.075 25.608 25.151 24.706 24.271 23.847 23.433 23.028 22.634 94.841 86.281 78.988 72.716 67.267 62.489 58.264 54.501 51.127 48.082 45.321 42.804 40.500 38.382 36.428 32.939 32.300 31.678 31.074 30.485 29.912 29.354 28.810 28.279 27.762 27.257 26.765 26.284 25.815 25.357 24.909 24.472 24.044 23.626 23.218 22.819 95.086 86.519 79.217 72.934 67.475 62.689 58.458 54.689 51.311 48.264 45.501 42.983 40.679 38.562 36.609 33.124 32.486 31.866 31.262 30.675 30.103 29.546 29.003 28.474 27.958 27.455 26.964 26.484 26.016 25.559 25.112 24.675 24.248 23.830 23.422 23.022 95.319 86.746 79.433 73.141 67.673 62.879 58.641 54.867 51.484 48.434 45.669 43.150 40.845 38.728 36.775 33.293 32.655 32.036 31.433 30.846 30.276 29.720 29.178 28.650 28.135 27.633 27.143 26.665 26.198 25.742 25.296 24.860 24.434 24.018 23.610 23.212 95.541 86.963 79.641 73.339 67.862 63.060 58.816 55.036 51.649 48.595 45.827 43.306 41.001 38.883 36.930 33.449 32.811 32.192 31.590 31.004 30.434 29.878 29.337 28.810 28.296 27.795 27.306 26.828 26.362 25.907 25.463 25.028 24.603 24.188 23.781 23.384 95.754 87.171 79.840 73.529 68.044 63.235 58.983 55.198 51.806 48.749 45.978 43.455 41.148 39.029 37.076 33.594 32.957 32.338 31.736 31.150 30.580 30.025 29.485 28.958 28.445 27.944 27.455 26.979 26.513 26.059 25.615 25.181 24.757 24.343 23.937 23.540 95.959 87.372 80.033 73.713 68.220 63.403 59.145 55.355 51.958 48.897 46.123 43.597 41.288 39.167 37.213 33.731 33.094 32.475 31.873 31.287 30.718 30.163 29.623 29.096 28.583 28.083 27.594 27.118 26.653 26.199 25.756 25.323 24.899 24.485 24.081 23.684 96.159 87.568 80.219 73.891 68.390 63.566 59.302 55.506 52.105 49.039 46.262 43.734 41.422 39.300 37.345 33.861 33.224 32.605 32.003 31.417 30.847 30.292 29.752 29.226 28.713 28.213 27.725 27.249 26.784 26.331 25.888 25.455 25.032 24.618 24.214 23.818 99999.999 87.757 80.401 74.064 68.555 63.724 59.454 55.653 52.247 49.177 46.396 43.865 41.551 39.427 37.471 33.985 33.347 32.728 32.126 31.540 30.970 30.415 29.875 29.349 28.836 28.336 27.848 27.372 26.907 26.454 26.011 25.578 25.156 24.742 24.338 23.943 N2,aq N2(0) P-T:All Charge = 0. Radius(Å) = 9.99 Alk. = 0.000 Ref: Shock07 5 -1.250 1 -3.000 2 -0.750 6 2.000 32 0.750 4 6.756 5.759 4.758 3.788 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.756 5.759 4.758 3.788 2.856 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.757 5.760 4.759 3.789 2.857 1.962 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.760 5.763 4.761 3.791 2.859 1.964 1.101 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.765 5.767 4.765 3.795 2.863 1.967 1.104 0.267 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.772 5.773 4.771 3.801 2.868 1.973 1.110 0.273 -0.545 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.783 5.783 4.780 3.809 2.877 1.982 1.118 0.282 -0.536 -1.343 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.798 5.797 4.793 3.822 2.889 1.994 1.131 0.294 -0.523 -1.329 -2.139 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.820 5.816 4.812 3.839 2.906 2.010 1.147 0.311 -0.504 -1.309 -2.116 -2.945 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.848 5.842 4.836 3.862 2.928 2.032 1.170 0.334 -0.480 -1.283 -2.086 -2.908 -3.781 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.885 5.876 4.867 3.892 2.958 2.061 1.199 0.364 -0.449 -1.249 -2.048 -2.861 -3.718 -4.684 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.933 5.919 4.908 3.931 2.995 2.098 1.236 0.402 -0.409 -1.206 -1.999 -2.803 -3.641 -4.564 -5.766 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.969 5.953 4.939 3.961 3.024 2.127 1.264 0.431 -0.379 -1.174 -1.963 -2.759 -3.585 -4.480 -5.581 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.022 6.000 4.984 4.003 3.065 2.167 1.305 0.473 -0.336 -1.127 -1.911 -2.699 -3.508 -4.372 -5.383 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.073 6.048 5.028 4.046 3.106 2.208 1.345 0.514 -0.293 -1.082 -1.861 -2.641 -3.436 -4.274 -5.222 -8.403 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.125 6.094 5.072 4.088 3.147 2.248 1.385 0.554 -0.251 -1.037 -1.812 -2.584 -3.367 -4.183 -5.084 -7.175 -8.065 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.175 6.141 5.115 4.129 3.187 2.287 1.425 0.594 -0.210 -0.993 -1.764 -2.530 -3.302 -4.099 -4.962 -6.795 -7.353 -8.074 -9.048 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.226 6.187 5.159 4.170 3.227 2.326 1.464 0.634 -0.169 -0.950 -1.717 -2.477 -3.240 -4.020 -4.852 -6.561 -7.014 -7.538 -8.168 -8.943 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.275 6.233 5.202 4.211 3.267 2.365 1.503 0.673 -0.128 -0.908 -1.672 -2.426 -3.180 -3.946 -4.751 -6.386 -6.787 -7.227 -7.723 -8.294 -8.958 -9.722 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.325 6.278 5.244 4.252 3.306 2.404 1.541 0.712 -0.089 -0.866 -1.627 -2.377 -3.123 -3.877 -4.659 -6.243 -6.612 -7.006 -7.435 -7.907 -8.434 -9.025 -9.683 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.374 6.323 5.286 4.292 3.345 2.442 1.579 0.750 -0.049 -0.825 -1.583 -2.329 -3.068 -3.811 -4.574 -6.120 -6.467 -6.832 -7.220 -7.636 -8.088 -8.581 -9.119 -9.704 -10.329 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.422 6.368 5.328 4.332 3.384 2.480 1.617 0.788 -0.010 -0.785 -1.540 -2.282 -3.015 -3.749 -4.496 -6.011 -6.342 -6.686 -7.047 -7.428 -7.832 -8.265 -8.730 -9.228 -9.759 -10.318 -10.898 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.470 6.412 5.370 4.372 3.422 2.518 1.654 0.826 0.028 -0.745 -1.498 -2.236 -2.964 -3.690 -4.423 -5.912 -6.231 -6.560 -6.901 -7.257 -7.629 -8.022 -8.438 -8.879 -9.344 -9.833 -10.342 -10.865 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.518 6.456 5.411 4.411 3.460 2.555 1.691 0.863 0.066 -0.705 -1.456 -2.191 -2.915 -3.633 -4.355 -5.821 -6.130 -6.447 -6.773 -7.110 -7.460 -7.825 -8.207 -8.607 -9.026 -9.464 -9.919 -10.388 -10.867 -11.351 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.565 6.499 5.452 4.450 3.498 2.592 1.728 0.900 0.104 -0.667 -1.415 -2.147 -2.867 -3.579 -4.292 -5.737 -6.038 -6.345 -6.659 -6.982 -7.315 -7.659 -8.016 -8.387 -8.772 -9.172 -9.586 -10.013 -10.449 -10.892 -11.337 99999.999 99999.999 99999.999 99999.999 99999.999 7.612 6.543 5.493 4.489 3.536 2.629 1.764 0.937 0.141 -0.628 -1.375 -2.104 -2.820 -3.527 -4.232 -5.658 -5.952 -6.251 -6.555 -6.867 -7.186 -7.514 -7.852 -8.201 -8.561 -8.932 -9.315 -9.709 -10.111 -10.520 -10.932 -11.346 -11.757 99999.999 99999.999 99999.999 7.659 6.586 5.534 4.528 3.573 2.665 1.800 0.973 0.178 -0.590 -1.335 -2.062 -2.774 -3.477 -4.175 -5.583 -5.871 -6.163 -6.460 -6.762 -7.070 -7.385 -7.708 -8.039 -8.380 -8.730 -9.088 -9.456 -9.831 -10.212 -10.597 -10.984 -11.371 -11.755 99999.999 99999.999 7.705 6.629 5.574 4.566 3.610 2.702 1.836 1.009 0.214 -0.553 -1.296 -2.021 -2.730 -3.429 -4.121 -5.512 -5.795 -6.081 -6.371 -6.665 -6.964 -7.269 -7.580 -7.897 -8.222 -8.554 -8.894 -9.240 -9.593 -9.952 -10.314 -10.679 -11.044 -11.408 -11.769 -12.124 7.750 6.671 5.614 4.605 3.647 2.738 1.872 1.045 0.250 -0.515 -1.258 -1.980 -2.686 -3.381 -4.069 -5.444 -5.723 -6.004 -6.288 -6.575 -6.866 -7.162 -7.463 -7.769 -8.081 -8.399 -8.723 -9.053 -9.388 -9.728 -10.072 -10.417 -10.764 -11.110 -11.454 -11.795 8.190 7.081 6.001 4.974 4.003 3.085 2.215 1.387 0.595 -0.164 -0.895 -1.602 -2.288 -2.956 -3.609 -4.884 -5.136 -5.387 -5.637 -5.887 -6.137 -6.387 -6.637 -6.888 -7.139 -7.390 -7.642 -7.894 -8.148 -8.401 -8.655 -8.910 -9.164 -9.419 -9.673 -9.926 8.601 7.467 6.367 5.324 4.341 3.414 2.538 1.706 0.915 0.159 -0.566 -1.263 -1.937 -2.589 -3.223 -4.445 -4.683 -4.919 -5.154 -5.388 -5.620 -5.851 -6.081 -6.310 -6.538 -6.765 -6.992 -7.217 -7.442 -7.667 -7.890 -8.113 -8.335 -8.557 -8.777 -8.997 8.988 7.835 6.716 5.658 4.663 3.727 2.844 2.009 1.216 0.461 -0.261 -0.953 -1.618 -2.260 -2.881 -4.070 -4.300 -4.528 -4.754 -4.978 -5.200 -5.421 -5.640 -5.857 -6.072 -6.286 -6.499 -6.711 -6.921 -7.130 -7.338 -7.545 -7.750 -7.955 -8.158 -8.361 9.357 8.186 7.050 5.978 4.971 4.026 3.136 2.296 1.501 0.746 0.025 -0.663 -1.324 -1.959 -2.572 -3.738 -3.963 -4.185 -4.405 -4.623 -4.839 -5.052 -5.264 -5.473 -5.681 -5.887 -6.091 -6.294 -6.495 -6.695 -6.893 -7.090 -7.285 -7.480 -7.672 -7.864 9.710 8.524 7.372 6.287 5.269 4.314 3.417 2.572 1.774 1.016 0.296 -0.391 -1.048 -1.679 -2.286 -3.437 -3.658 -3.876 -4.092 -4.306 -4.517 -4.725 -4.932 -5.136 -5.339 -5.539 -5.738 -5.934 -6.129 -6.323 -6.514 -6.705 -6.893 -7.080 -7.266 -7.451 10.050 8.849 7.684 6.585 5.556 4.592 3.688 2.838 2.035 1.275 0.554 -0.133 -0.788 -1.416 -2.019 -3.159 -3.377 -3.593 -3.806 -4.016 -4.224 -4.429 -4.632 -4.833 -5.031 -5.228 -5.422 -5.614 -5.805 -5.994 -6.181 -6.367 -6.550 -6.733 -6.914 -7.093 10.378 9.165 7.985 6.874 5.834 4.862 3.950 3.094 2.287 1.524 0.801 0.114 -0.541 -1.167 -1.767 -2.899 -3.116 -3.329 -3.540 -3.748 -3.953 -4.156 -4.356 -4.554 -4.750 -4.944 -5.135 -5.324 -5.512 -5.697 -5.881 -6.063 -6.244 -6.422 -6.600 -6.775 99999.999 9.471 8.278 7.155 6.104 5.123 4.205 3.342 2.531 1.765 1.039 0.351 -0.305 -0.930 -1.529 -2.655 -2.870 -3.082 -3.291 -3.498 -3.701 -3.902 -4.101 -4.297 -4.490 -4.682 -4.871 -5.058 -5.243 -5.426 -5.607 -5.787 -5.965 -6.141 -6.315 -6.488 N2O2-2 N2O2-2 P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 5 -3.000 1 -1.000 6 -2.000 2 2.000 32 1.000 4 110.872 101.591 93.764 87.081 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.872 101.591 93.764 87.081 81.313 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.872 101.591 93.764 87.081 81.313 76.288 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.873 101.591 93.765 87.081 81.313 76.288 71.876 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.874 101.592 93.765 87.082 81.313 76.288 71.876 67.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.875 101.593 93.766 87.083 81.314 76.288 71.876 67.978 64.515 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.878 101.595 93.767 87.084 81.314 76.289 71.877 67.978 64.514 61.425 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.881 101.597 93.769 87.085 81.316 76.290 71.877 67.978 64.514 61.424 58.663 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.886 101.600 93.772 87.087 81.317 76.291 71.878 67.978 64.513 61.422 58.659 56.194 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.892 101.605 93.775 87.090 81.319 76.292 71.879 67.978 64.512 61.419 58.655 56.185 53.994 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.900 101.610 93.779 87.093 81.322 76.294 71.880 67.978 64.511 61.416 58.649 56.173 53.972 52.055 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.910 101.618 93.785 87.097 81.325 76.297 71.881 67.979 64.510 61.413 58.641 56.160 53.947 52.003 50.426 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.918 101.623 93.789 87.101 81.328 76.299 71.883 67.979 64.509 61.410 58.636 56.150 53.929 51.969 50.330 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.929 101.631 93.795 87.105 81.332 76.302 71.884 67.979 64.508 61.407 58.629 56.138 53.906 51.926 50.232 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.940 101.638 93.801 87.110 81.335 76.304 71.886 67.980 64.507 61.404 58.623 56.126 53.886 51.889 50.156 47.812 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.951 101.646 93.806 87.115 81.339 76.307 71.888 67.981 64.506 61.401 58.617 56.116 53.868 51.856 50.092 47.134 46.887 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.961 101.653 93.812 87.119 81.343 76.310 71.890 67.981 64.505 61.399 58.612 56.106 53.851 51.828 50.039 46.944 46.507 46.184 46.036 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.971 101.660 93.817 87.124 81.346 76.313 71.892 67.982 64.505 61.396 58.607 56.097 53.836 51.802 49.993 46.836 46.339 45.903 45.549 45.302 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.981 101.667 93.823 87.128 81.350 76.315 71.893 67.983 64.504 61.394 58.603 56.089 53.823 51.780 49.952 46.760 46.235 45.752 45.320 44.951 44.657 44.443 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.991 101.674 93.828 87.132 81.353 76.318 71.895 67.984 64.504 61.392 58.599 56.082 53.810 51.759 49.918 46.702 46.159 45.650 45.180 44.754 44.379 44.060 43.799 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 111.001 101.681 93.833 87.136 81.357 76.320 71.897 67.985 64.504 61.391 58.595 56.075 53.800 51.742 49.887 46.655 46.099 45.574 45.082 44.624 44.205 43.828 43.495 43.206 42.958 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 111.010 101.687 93.839 87.141 81.360 76.323 71.899 67.986 64.503 61.389 58.591 56.069 53.790 51.726 49.861 46.615 46.051 45.515 45.007 44.529 44.084 43.671 43.295 42.954 42.649 42.376 42.131 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 111.020 101.694 93.844 87.145 81.363 76.326 71.901 67.987 64.503 61.388 58.588 56.064 53.781 51.712 49.839 46.581 46.010 45.465 44.947 44.455 43.992 43.557 43.152 42.778 42.434 42.118 41.830 41.564 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 111.029 101.700 93.848 87.149 81.366 76.328 71.903 67.987 64.503 61.386 58.585 56.059 53.773 51.700 49.819 46.550 45.974 45.423 44.896 44.395 43.918 43.468 43.044 42.646 42.275 41.930 41.609 41.311 41.031 40.767 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 111.038 101.706 93.853 87.153 81.370 76.331 71.904 67.988 64.503 61.385 58.583 56.054 53.766 51.689 49.802 46.524 45.943 45.386 44.853 44.344 43.858 43.396 42.958 42.543 42.153 41.786 41.442 41.118 40.813 40.525 40.250 99999.999 99999.999 99999.999 99999.999 99999.999 111.046 101.712 93.858 87.156 81.373 76.333 71.906 67.990 64.503 61.384 58.580 56.050 53.759 51.679 49.788 46.499 45.915 45.354 44.816 44.300 43.807 43.336 42.887 42.460 42.056 41.673 41.310 40.967 40.643 40.335 40.041 39.759 39.486 99999.999 99999.999 99999.999 111.055 101.718 93.863 87.160 81.376 76.336 71.908 67.991 64.504 61.383 58.578 56.046 53.753 51.670 49.775 46.477 45.890 45.325 44.782 44.262 43.762 43.284 42.827 42.391 41.975 41.580 41.204 40.846 40.506 40.182 39.872 39.575 39.289 39.011 99999.999 99999.999 111.064 101.724 93.867 87.164 81.379 76.338 71.910 67.992 64.504 61.382 58.576 56.043 53.748 51.662 49.764 46.457 45.867 45.299 44.753 44.228 43.723 43.239 42.776 42.332 41.908 41.502 41.115 40.746 40.394 40.057 39.735 39.425 39.127 38.838 38.557 38.283 111.072 101.730 93.872 87.168 81.382 76.341 71.911 67.993 64.504 61.382 58.574 56.039 53.742 51.655 49.754 46.439 45.846 45.275 44.726 44.197 43.688 43.200 42.731 42.281 41.849 41.436 41.041 40.662 40.300 39.952 39.619 39.299 38.991 38.693 38.403 38.121 111.148 101.783 93.913 87.201 81.410 76.363 71.929 68.004 64.508 61.378 58.560 56.014 53.704 51.600 49.680 46.310 45.702 45.115 44.547 43.998 43.468 42.954 42.458 41.977 41.513 41.064 40.629 40.208 39.801 39.407 39.026 38.657 38.299 37.952 37.615 37.289 111.212 101.827 93.947 87.229 81.433 76.382 71.944 68.015 64.514 61.378 58.554 55.999 53.680 51.566 49.633 46.233 45.618 45.023 44.447 43.889 43.348 42.825 42.317 41.825 41.349 40.886 40.438 40.003 39.581 39.171 38.773 38.387 38.013 37.648 37.295 36.951 111.267 101.864 93.976 87.253 81.453 76.399 71.957 68.025 64.520 61.379 58.550 55.990 53.664 51.542 49.601 46.180 45.561 44.961 44.380 43.817 43.271 42.741 42.227 41.729 41.245 40.776 40.320 39.877 39.447 39.029 38.623 38.229 37.845 37.472 37.109 36.756 111.314 101.895 94.000 87.272 81.469 76.413 71.969 68.034 64.526 61.382 58.549 55.984 53.653 51.525 49.578 46.143 45.520 44.917 44.332 43.765 43.215 42.682 42.164 41.661 41.173 40.699 40.238 39.791 39.356 38.933 38.521 38.121 37.732 37.353 36.985 36.626 111.353 101.921 94.019 87.289 81.483 76.425 71.979 68.041 64.532 61.385 58.548 55.980 53.644 51.513 49.561 46.114 45.489 44.883 44.296 43.726 43.173 42.637 42.116 41.611 41.119 40.642 40.178 39.727 39.289 38.862 38.447 38.043 37.650 37.268 36.895 36.532 111.387 101.941 94.035 87.301 81.494 76.434 71.986 68.047 64.536 61.387 58.548 55.977 53.638 51.503 49.547 46.091 45.464 44.857 44.267 43.696 43.141 42.602 42.079 41.571 41.078 40.598 40.131 39.678 39.237 38.808 38.390 37.983 37.588 37.202 36.827 36.461 111.414 101.957 94.047 87.311 81.502 76.441 71.992 68.052 64.539 61.388 58.548 55.974 53.633 51.495 49.536 46.073 45.445 44.835 44.244 43.671 43.115 42.574 42.049 41.540 41.044 40.563 40.094 39.639 39.196 38.765 38.345 37.936 37.538 37.151 36.773 36.406 99999.999 101.969 94.056 87.318 81.508 76.446 71.996 68.055 64.541 61.389 58.547 55.972 53.629 51.488 49.526 46.058 45.428 44.818 44.225 43.651 43.093 42.551 42.025 41.514 41.017 40.534 40.064 39.607 39.163 38.730 38.308 37.898 37.499 37.110 36.731 36.361 N2O2-2 N2O2-2 P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 -4.000 1 -2.000 2 2.000 32 2.000 31 -41.227 -36.726 -32.675 -29.033 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.227 -36.726 -32.675 -29.033 -25.736 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.228 -36.727 -32.676 -29.034 -25.738 -22.730 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.231 -36.730 -32.679 -29.036 -25.740 -22.733 -19.965 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.235 -36.734 -32.683 -29.040 -25.744 -22.737 -19.969 -17.399 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.241 -36.741 -32.690 -29.047 -25.750 -22.743 -19.976 -17.406 -14.995 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.251 -36.751 -32.700 -29.057 -25.760 -22.753 -19.985 -17.416 -15.006 -12.719 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.266 -36.766 -32.714 -29.070 -25.774 -22.766 -19.999 -17.431 -15.022 -12.737 -10.534 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.286 -36.786 -32.734 -29.090 -25.793 -22.785 -20.019 -17.451 -15.044 -12.762 -10.564 -8.398 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.312 -36.813 -32.760 -29.115 -25.818 -22.811 -20.044 -17.477 -15.073 -12.794 -10.603 -8.451 -6.259 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.347 -36.848 -32.794 -29.149 -25.851 -22.843 -20.078 -17.512 -15.110 -12.836 -10.654 -8.517 -6.358 -4.028 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.392 -36.893 -32.839 -29.192 -25.893 -22.886 -20.121 -17.557 -15.158 -12.889 -10.716 -8.598 -6.475 -4.235 -1.442 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.427 -36.928 -32.873 -29.225 -25.926 -22.918 -20.153 -17.591 -15.194 -12.930 -10.764 -8.658 -6.559 -4.374 -1.810 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.477 -36.979 -32.922 -29.273 -25.973 -22.964 -20.200 -17.639 -15.245 -12.986 -10.830 -8.740 -6.672 -4.550 -2.177 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.527 -37.029 -32.971 -29.320 -26.019 -23.010 -20.247 -17.687 -15.296 -13.042 -10.893 -8.818 -6.776 -4.705 -2.459 5.137 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.577 -37.079 -33.019 -29.367 -26.065 -23.056 -20.292 -17.734 -15.345 -13.096 -10.955 -8.893 -6.874 -4.845 -2.694 2.315 4.385 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.627 -37.129 -33.067 -29.414 -26.111 -23.101 -20.338 -17.780 -15.394 -13.148 -11.015 -8.964 -6.965 -4.973 -2.897 1.499 2.795 4.457 6.671 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.677 -37.178 -33.116 -29.461 -26.156 -23.146 -20.382 -17.826 -15.442 -13.200 -11.073 -9.033 -7.051 -5.090 -3.075 1.030 2.079 3.287 4.730 6.486 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.728 -37.228 -33.163 -29.507 -26.201 -23.190 -20.427 -17.871 -15.489 -13.251 -11.129 -9.099 -7.133 -5.198 -3.234 0.697 1.627 2.643 3.780 5.080 6.578 8.279 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.778 -37.277 -33.211 -29.553 -26.246 -23.234 -20.471 -17.916 -15.536 -13.301 -11.184 -9.162 -7.210 -5.298 -3.377 0.437 1.296 2.208 3.191 4.269 5.464 6.793 8.256 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.828 -37.327 -33.259 -29.599 -26.290 -23.278 -20.515 -17.960 -15.582 -13.349 -11.238 -9.224 -7.283 -5.391 -3.506 0.222 1.033 1.879 2.771 3.723 4.749 5.862 7.069 8.368 9.743 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.878 -37.376 -33.306 -29.645 -26.334 -23.321 -20.558 -18.004 -15.627 -13.397 -11.290 -9.283 -7.353 -5.478 -3.623 0.037 0.814 1.614 2.447 3.319 4.240 5.220 6.265 7.378 8.556 9.786 11.051 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.928 -37.425 -33.353 -29.690 -26.378 -23.364 -20.601 -18.048 -15.672 -13.445 -11.341 -9.340 -7.420 -5.559 -3.730 -0.126 0.625 1.392 2.181 2.999 3.850 4.742 5.680 6.668 7.705 8.788 9.907 11.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.978 -37.474 -33.400 -29.735 -26.422 -23.407 -20.643 -18.091 -15.716 -13.491 -11.391 -9.396 -7.484 -5.636 -3.827 -0.271 0.458 1.199 1.957 2.734 3.536 4.366 5.230 6.130 7.068 8.042 9.048 10.078 11.125 12.175 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -42.028 -37.523 -33.447 -29.780 -26.466 -23.450 -20.685 -18.133 -15.760 -13.537 -11.441 -9.450 -7.545 -5.708 -3.917 -0.404 0.308 1.029 1.761 2.508 3.272 4.058 4.867 5.704 6.569 7.462 8.381 9.323 10.282 11.249 12.217 99999.999 99999.999 99999.999 99999.999 99999.999 -42.079 -37.571 -33.494 -29.825 -26.509 -23.492 -20.727 -18.175 -15.803 -13.582 -11.489 -9.502 -7.605 -5.777 -4.000 -0.526 0.172 0.876 1.588 2.311 3.046 3.797 4.565 5.354 6.164 6.996 7.849 8.722 9.609 10.507 11.408 12.308 13.199 99999.999 99999.999 99999.999 -42.129 -37.620 -33.540 -29.869 -26.552 -23.534 -20.769 -18.217 -15.846 -13.626 -11.536 -9.554 -7.662 -5.842 -4.078 -0.639 0.048 0.737 1.433 2.135 2.847 3.570 4.307 5.059 5.827 6.612 7.413 8.230 9.060 9.900 10.745 11.592 12.434 13.266 99999.999 99999.999 -42.179 -37.668 -33.586 -29.914 -26.595 -23.576 -20.810 -18.258 -15.888 -13.670 -11.582 -9.604 -7.717 -5.905 -4.151 -0.745 -0.068 0.609 1.291 1.977 2.670 3.371 4.082 4.804 5.538 6.286 7.047 7.819 8.603 9.396 10.194 10.994 11.792 12.585 13.367 14.136 -42.229 -37.717 -33.633 -29.958 -26.637 -23.617 -20.851 -18.299 -15.930 -13.714 -11.628 -9.653 -7.771 -5.966 -4.220 -0.844 -0.177 0.491 1.160 1.832 2.509 3.192 3.882 4.580 5.288 6.005 6.732 7.470 8.216 8.969 9.727 10.488 11.248 12.005 12.754 13.493 -42.729 -38.196 -34.087 -30.391 -27.054 -24.021 -21.247 -18.693 -16.327 -14.121 -12.053 -10.103 -8.255 -6.495 -4.810 -1.619 -1.004 -0.394 0.210 0.809 1.404 1.995 2.583 3.168 3.751 4.332 4.911 5.488 6.064 6.638 7.211 7.782 8.351 8.918 9.483 10.044 -43.229 -38.667 -34.531 -30.811 -27.455 -24.407 -21.623 -19.064 -16.697 -14.494 -12.435 -10.499 -8.670 -6.936 -5.283 -2.184 -1.592 -1.009 -0.432 0.137 0.699 1.255 1.806 2.350 2.890 3.424 3.954 4.479 5.001 5.518 6.031 6.540 7.046 7.548 8.046 8.541 -43.729 -39.133 -34.967 -31.222 -27.844 -24.781 -21.985 -19.417 -17.045 -14.843 -12.787 -10.859 -9.042 -7.323 -5.690 -2.646 -2.067 -1.498 -0.937 -0.385 0.160 0.697 1.228 1.751 2.269 2.780 3.285 3.785 4.279 4.768 5.252 5.732 6.207 6.677 7.143 7.605 -44.228 -39.594 -35.395 -31.624 -28.225 -25.144 -22.334 -19.757 -17.379 -15.173 -13.118 -11.193 -9.382 -7.673 -6.054 -3.044 -2.474 -1.914 -1.363 -0.821 -0.287 0.239 0.757 1.268 1.771 2.268 2.759 3.243 3.722 4.194 4.662 5.124 5.580 6.032 6.479 6.922 -44.729 -40.052 -35.819 -32.019 -28.598 -25.499 -22.675 -20.086 -17.700 -15.490 -13.432 -11.508 -9.701 -7.998 -6.386 -3.399 -2.835 -2.281 -1.737 -1.202 -0.675 -0.157 0.353 0.855 1.350 1.838 2.319 2.793 3.261 3.723 4.179 4.630 5.075 5.515 5.950 6.381 -45.232 -40.507 -36.238 -32.410 -28.965 -25.848 -23.008 -20.408 -18.013 -15.796 -13.734 -11.808 -10.002 -8.302 -6.695 -3.724 -3.164 -2.614 -2.075 -1.544 -1.023 -0.510 -0.005 0.491 0.980 1.461 1.936 2.403 2.864 3.319 3.768 4.211 4.648 5.080 5.507 5.929 -45.736 -40.962 -36.654 -32.796 -29.328 -26.191 -23.336 -20.722 -18.317 -16.093 -14.026 -12.097 -10.290 -8.591 -6.987 -4.026 -3.468 -2.922 -2.385 -1.858 -1.340 -0.831 -0.330 0.162 0.647 1.124 1.594 2.056 2.513 2.962 3.406 3.843 4.275 4.701 5.122 5.538 99999.999 -41.416 -37.067 -33.179 -29.686 -26.529 -23.658 -21.031 -18.615 -16.383 -14.310 -12.377 -10.567 -8.867 -7.264 -4.309 -3.754 -3.209 -2.674 -2.149 -1.633 -1.127 -0.629 -0.140 0.342 0.816 1.282 1.742 2.194 2.640 3.080 3.514 3.942 4.364 4.781 5.193 HN2O2- HNO2- P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 5 -2.000 1 -1.000 6 -2.000 2 2.000 32 1.000 4 99.351 90.596 83.113 76.653 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.351 90.596 83.113 76.653 71.020 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.353 90.597 83.113 76.654 71.020 66.061 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.416 90.653 83.165 76.703 71.067 66.107 61.703 57.763 54.213 50.993 48.053 45.348 42.840 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.442 90.676 83.187 76.723 71.086 66.125 61.721 57.781 54.232 51.013 48.073 45.371 42.868 40.530 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.475 90.706 83.214 76.748 71.111 66.149 61.744 57.805 54.256 51.037 48.100 45.400 42.903 40.571 38.373 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.501 90.728 83.235 76.768 71.129 66.167 61.762 57.823 54.274 51.056 48.120 45.423 42.929 40.603 38.402 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.537 90.760 83.264 76.796 71.156 66.193 61.788 57.848 54.300 51.083 48.148 45.454 42.965 40.647 38.455 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.573 90.792 83.294 76.823 71.183 66.219 61.813 57.873 54.325 51.109 48.176 45.485 43.000 40.690 38.510 35.156 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.608 90.824 83.323 76.851 71.209 66.244 61.838 57.898 54.350 51.135 48.203 45.515 43.034 40.730 38.563 34.973 34.366 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.643 90.855 83.351 76.878 71.235 66.269 61.863 57.923 54.375 51.160 48.230 45.543 43.067 40.769 38.613 34.952 34.291 33.665 33.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.677 90.886 83.380 76.905 71.260 66.294 61.887 57.947 54.399 51.185 48.256 45.572 43.098 40.806 38.661 34.963 34.283 33.630 33.002 32.387 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.711 90.916 83.408 76.931 71.286 66.318 61.911 57.971 54.423 51.210 48.282 45.599 43.129 40.842 38.706 34.984 34.297 33.632 32.990 32.367 31.757 31.146 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.745 90.946 83.436 76.957 71.311 66.343 61.935 57.994 54.447 51.234 48.307 45.626 43.158 40.875 38.748 35.010 34.319 33.648 32.998 32.368 31.754 31.153 30.556 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.778 90.976 83.463 76.983 71.335 66.367 61.958 58.018 54.471 51.258 48.332 45.652 43.187 40.908 38.787 35.037 34.344 33.671 33.017 32.381 31.763 31.161 30.570 29.987 29.406 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.811 91.005 83.491 77.009 71.360 66.390 61.982 58.041 54.494 51.282 48.356 45.678 43.214 40.938 38.824 35.065 34.371 33.697 33.040 32.402 31.781 31.176 30.585 30.006 29.436 28.872 28.313 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.843 91.034 83.517 77.034 71.384 66.414 62.005 58.064 54.517 51.305 48.380 45.703 43.241 40.968 38.858 35.093 34.399 33.724 33.066 32.426 31.803 31.196 30.604 30.026 29.459 28.902 28.354 27.813 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.875 91.063 83.544 77.059 71.408 66.437 62.028 58.086 54.539 51.328 48.403 45.727 43.267 40.996 38.889 35.122 34.427 33.752 33.094 32.453 31.829 31.220 30.627 30.048 29.482 28.928 28.384 27.850 27.325 26.808 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.907 91.092 83.571 77.084 71.432 66.460 62.050 58.109 54.562 51.350 48.427 45.751 43.292 41.023 38.919 35.150 34.456 33.780 33.122 32.480 31.855 31.246 30.652 30.072 29.506 28.953 28.411 27.881 27.360 26.849 26.348 99999.999 99999.999 99999.999 99999.999 99999.999 99.938 91.120 83.597 77.109 71.456 66.483 62.073 58.131 54.584 51.373 48.449 45.775 43.317 41.048 38.947 35.177 34.484 33.808 33.150 32.508 31.883 31.273 30.679 30.099 29.532 28.979 28.438 27.909 27.391 26.883 26.386 25.898 25.421 99999.999 99999.999 99999.999 99.969 91.148 83.623 77.133 71.479 66.506 62.095 58.153 54.606 51.395 48.472 45.798 43.341 41.074 38.974 35.205 34.511 33.836 33.178 32.536 31.911 31.301 30.707 30.126 29.559 29.006 28.465 27.937 27.419 26.914 26.418 25.934 25.459 24.995 99999.999 99999.999 99.999 91.175 83.648 77.158 71.502 66.528 62.117 58.174 54.627 51.417 48.494 45.821 43.364 41.098 38.999 35.232 34.538 33.863 33.205 32.564 31.939 31.329 30.735 30.154 29.587 29.034 28.493 27.965 27.448 26.943 26.449 25.965 25.492 25.030 24.578 24.136 100.030 91.203 83.674 77.182 71.525 66.550 62.138 58.196 54.649 51.438 48.516 45.843 43.387 41.122 39.024 35.258 34.565 33.890 33.233 32.592 31.967 31.357 30.763 30.182 29.615 29.062 28.521 27.993 27.476 26.972 26.478 25.995 25.523 25.062 24.611 24.170 100.315 91.463 83.916 77.411 71.744 66.762 62.345 58.400 54.852 51.642 48.722 46.053 43.602 41.343 39.252 35.502 34.813 34.141 33.487 32.850 32.228 31.622 31.030 30.453 29.889 29.338 28.800 28.273 27.759 27.256 26.764 26.282 25.811 25.350 24.899 24.457 100.576 91.702 84.140 77.623 71.947 66.958 62.536 58.587 55.038 51.828 48.909 46.242 43.795 41.539 39.453 35.715 35.028 34.359 33.708 33.073 32.455 31.851 31.263 30.689 30.128 29.580 29.045 28.522 28.011 27.511 27.022 26.543 26.074 25.615 25.166 24.726 100.815 91.924 84.349 77.821 72.137 67.142 62.714 58.762 55.210 51.999 49.081 46.415 43.970 41.717 39.634 35.904 35.219 34.552 33.903 33.270 32.654 32.053 31.467 30.895 30.337 29.792 29.260 28.739 28.231 27.733 27.247 26.771 26.305 25.848 25.402 24.964 101.038 92.132 84.545 78.007 72.316 67.314 62.882 58.926 55.372 52.160 49.241 46.575 44.131 41.880 39.800 36.075 35.392 34.726 34.079 33.448 32.833 32.234 31.650 31.080 30.524 29.981 29.450 28.932 28.425 27.930 27.446 26.972 26.508 26.054 25.610 25.174 101.246 92.328 84.729 78.183 72.485 67.477 63.041 59.081 55.524 52.310 49.390 46.725 44.281 42.031 39.953 36.233 35.550 34.886 34.240 33.610 32.997 32.399 31.816 31.247 30.692 30.151 29.622 29.105 28.600 28.107 27.624 27.152 26.690 26.238 25.795 25.362 101.443 92.513 84.905 78.351 72.645 67.633 63.192 59.229 55.669 52.453 49.532 46.866 44.422 42.173 40.095 36.379 35.697 35.034 34.388 33.759 33.147 32.550 31.968 31.401 30.847 30.307 29.779 29.263 28.760 28.268 27.786 27.316 26.855 26.404 25.963 25.531 101.628 92.689 85.072 78.511 72.799 67.781 63.336 59.369 55.807 52.589 49.666 47.000 44.556 42.307 40.230 36.515 35.834 35.171 34.526 33.898 33.286 32.690 32.109 31.543 30.990 30.450 29.924 29.409 28.906 28.415 27.935 27.465 27.006 26.556 26.116 25.685 99999.999 92.857 85.233 78.664 72.946 67.923 63.474 59.504 55.939 52.718 49.794 47.127 44.682 42.433 40.356 36.643 35.962 35.300 34.656 34.028 33.417 32.822 32.241 31.675 31.123 30.584 30.058 29.544 29.042 28.552 28.073 27.604 27.145 26.696 26.257 25.827 HN2O2- HNO2- P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 4 -3.000 1 -2.000 2 2.000 32 2.000 31 -52.747 -47.721 -43.327 -39.461 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -52.747 -47.721 -43.327 -39.461 -36.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -52.748 -47.722 -43.327 -39.461 -36.030 -32.957 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -52.749 -47.723 -43.329 -39.463 -36.031 -32.958 -30.182 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -52.751 -47.725 -43.331 -39.465 -36.033 -32.960 -30.184 -27.655 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -52.754 -47.729 -43.334 -39.468 -36.036 -32.963 -30.187 -27.658 -25.335 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -53.078 -48.058 -43.654 -39.776 -36.334 -33.254 -30.475 -27.949 -25.637 -23.505 -21.526 -19.675 -17.929 -16.266 -14.661 -11.513 -10.866 -10.204 -9.520 -8.808 -8.062 -7.276 -6.445 -5.570 -4.657 -3.718 -2.767 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -53.105 -48.084 -43.679 -39.800 -36.357 -33.276 -30.497 -27.971 -25.658 -23.527 -21.550 -19.701 -17.960 -16.304 -14.711 -11.613 -10.986 -10.349 -9.699 -9.030 -8.338 -7.618 -6.867 -6.084 -5.269 -4.428 -3.569 -2.701 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -53.132 -48.111 -43.705 -39.824 -36.380 -33.298 -30.518 -27.992 -25.680 -23.550 -21.574 -19.727 -17.990 -16.340 -14.757 -11.700 -11.089 -10.472 -9.846 -9.208 -8.554 -7.881 -7.187 -6.468 -5.726 -4.961 -4.177 -3.382 -2.582 -1.784 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -53.159 -48.137 -43.730 -39.848 -36.403 -33.320 -30.540 -28.013 -25.701 -23.572 -21.597 -19.753 -18.019 -16.375 -14.800 -11.778 -11.179 -10.577 -9.970 -9.355 -8.730 -8.092 -7.438 -6.767 -6.078 -5.372 -4.649 -3.914 -3.171 -2.426 -1.685 99999.999 99999.999 99999.999 99999.999 99999.999 -53.187 -48.164 -43.755 -39.872 -36.426 -33.342 -30.561 -28.034 -25.722 -23.593 -21.620 -19.778 -18.047 -16.407 -14.841 -11.848 -11.259 -10.670 -10.078 -9.481 -8.878 -8.265 -7.643 -7.008 -6.359 -5.697 -5.023 -4.337 -3.643 -2.945 -2.247 -1.552 -0.866 99999.999 99999.999 99999.999 -53.215 -48.190 -43.780 -39.896 -36.449 -33.364 -30.582 -28.055 -25.743 -23.615 -21.642 -19.802 -18.074 -16.439 -14.879 -11.912 -11.331 -10.752 -10.172 -9.590 -9.004 -8.412 -7.814 -7.206 -6.589 -5.962 -5.325 -4.680 -4.027 -3.369 -2.709 -2.050 -1.396 -0.750 99999.999 99999.999 -53.243 -48.217 -43.806 -39.920 -36.471 -33.386 -30.603 -28.076 -25.764 -23.636 -21.664 -19.826 -18.100 -16.469 -14.916 -11.970 -11.397 -10.826 -10.257 -9.686 -9.114 -8.539 -7.959 -7.374 -6.782 -6.183 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-45.629 -41.597 -38.031 -34.851 -31.992 -29.405 -27.049 -24.892 -22.907 -21.072 -19.368 -17.779 -16.293 -13.584 -13.079 -12.586 -12.103 -11.630 -11.168 -10.714 -10.270 -9.835 -9.408 -8.988 -8.577 -8.173 -7.777 -7.387 -7.004 -6.628 -6.258 -5.893 -5.535 -5.182 99999.999 -50.528 -45.891 -41.833 -38.248 -35.052 -32.181 -29.583 -27.218 -25.054 -23.062 -21.222 -19.514 -17.923 -16.435 -13.724 -13.220 -12.726 -12.244 -11.771 -11.309 -10.857 -10.413 -9.978 -9.552 -9.134 -8.724 -8.321 -7.926 -7.538 -7.156 -6.781 -6.412 -6.049 -5.693 -5.342 H2N2O2,aq H2N2O2 P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 5 -1.000 1 -1.000 6 -2.000 2 2.000 32 1.000 4 92.002 83.559 76.297 69.995 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.002 83.559 76.297 69.995 64.471 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.003 83.560 76.298 69.996 64.472 59.583 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.029 83.584 76.320 70.017 64.493 59.603 55.236 51.300 47.722 44.439 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.045 83.598 76.334 70.030 64.506 59.616 55.249 51.313 47.736 44.455 41.410 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.067 83.618 76.352 70.048 64.523 59.633 55.266 51.331 47.755 44.476 41.434 38.572 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.096 83.645 76.377 70.072 64.546 59.656 55.289 51.355 47.781 44.504 41.467 38.613 35.874 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.134 83.679 76.410 70.103 64.576 59.686 55.319 51.386 47.813 44.539 41.508 38.665 35.946 33.245 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.182 83.723 76.451 70.143 64.615 59.724 55.357 51.426 47.855 44.585 41.561 38.729 36.034 33.387 30.520 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.219 83.757 76.483 70.173 64.644 59.753 55.387 51.456 47.887 44.620 41.600 38.777 36.097 33.485 30.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.272 83.806 76.528 70.217 64.687 59.795 55.429 51.499 47.932 44.669 41.655 38.844 36.184 33.611 30.989 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.324 83.854 76.573 70.259 64.728 59.836 55.470 51.541 47.976 44.716 41.709 38.907 36.264 33.724 31.180 24.741 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.376 83.901 76.618 70.302 64.769 59.877 55.511 51.583 48.020 44.763 41.761 38.968 36.340 33.828 31.343 26.331 24.764 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.426 83.948 76.662 70.344 64.810 59.917 55.551 51.624 48.063 44.809 41.811 39.026 36.412 33.923 31.486 26.810 25.675 24.343 22.700 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.477 83.994 76.705 70.386 64.851 59.957 55.591 51.664 48.105 44.853 41.860 39.083 36.481 34.012 31.614 27.098 26.100 25.025 23.826 22.453 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.526 84.040 76.748 70.427 64.890 59.996 55.630 51.704 48.146 44.897 41.908 39.137 36.546 34.094 31.730 27.310 26.379 25.412 24.387 23.278 22.062 20.731 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.575 84.085 76.791 70.467 64.930 60.035 55.669 51.744 48.187 44.940 41.955 39.190 36.608 34.171 31.835 27.480 26.591 25.682 24.745 23.763 22.723 21.614 20.431 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.624 84.130 76.833 70.508 64.969 60.073 55.707 51.782 48.227 44.983 42.001 39.241 36.667 34.244 31.932 27.625 26.763 25.893 25.007 24.097 23.155 22.172 21.141 20.063 18.945 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.672 84.174 76.875 70.548 65.008 60.111 55.745 51.821 48.267 45.024 42.046 39.291 36.724 34.312 32.020 27.752 26.911 26.066 25.215 24.352 23.470 22.564 21.628 20.661 19.662 18.639 17.599 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.720 84.218 76.916 70.587 65.046 60.149 55.783 51.859 48.306 45.065 42.090 39.339 36.778 34.377 32.101 27.866 27.040 26.216 25.389 24.558 23.716 22.861 21.988 21.095 20.180 19.246 18.296 17.337 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.766 84.262 76.957 70.626 65.084 60.186 55.820 51.896 48.344 45.105 42.132 39.386 36.831 34.438 32.176 27.970 27.156 26.347 25.540 24.732 23.920 23.100 22.271 21.429 20.573 19.704 18.822 17.933 17.040 16.150 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.813 84.305 76.998 70.665 65.121 60.223 55.856 51.933 48.382 45.145 42.174 39.431 36.882 34.496 32.246 28.066 27.262 26.466 25.673 24.883 24.093 23.300 22.503 21.698 20.885 20.064 19.234 18.399 17.559 16.721 15.888 99999.999 99999.999 99999.999 99999.999 99999.999 92.859 84.348 77.038 70.704 65.159 60.259 55.893 51.970 48.419 45.184 42.216 39.476 36.931 34.552 32.312 28.155 27.360 26.574 25.794 25.018 24.245 23.473 22.699 21.923 21.142 20.357 19.567 18.773 17.977 17.182 16.389 15.604 14.830 99999.999 99999.999 99999.999 92.904 84.390 77.078 70.742 65.196 60.295 55.929 52.006 48.456 45.222 42.256 39.519 36.979 34.605 32.373 28.239 27.451 26.673 25.903 25.140 24.380 23.624 22.870 22.115 21.360 20.603 19.844 19.083 18.321 17.561 16.803 16.051 15.307 14.575 99999.999 99999.999 92.949 84.432 77.118 70.780 65.232 60.331 55.964 52.042 48.493 45.260 42.296 39.562 37.025 34.656 32.431 28.318 27.537 26.766 26.005 25.251 24.503 23.760 23.021 22.284 21.549 20.814 20.079 19.345 18.611 17.879 17.150 16.426 15.710 15.002 14.306 13.624 92.994 84.473 77.157 70.817 65.268 60.367 55.999 52.077 48.529 45.298 42.335 39.604 37.070 34.706 32.487 28.393 27.617 26.853 26.099 25.354 24.616 23.884 23.158 22.435 21.716 20.999 20.284 19.570 18.859 18.151 17.446 16.746 16.053 15.368 14.692 14.028 93.417 84.870 77.532 71.175 65.615 60.705 56.334 52.413 48.869 45.647 42.699 39.987 37.479 35.147 32.970 28.999 28.257 27.530 26.818 26.119 25.432 24.757 24.094 23.441 22.798 22.165 21.540 20.924 20.316 19.716 19.124 18.539 17.962 17.392 16.829 16.275 93.805 85.236 77.880 71.509 65.937 61.019 56.644 52.720 49.179 45.962 43.022 40.322 37.830 35.518 33.365 29.459 28.734 28.024 27.330 26.652 25.987 25.335 24.697 24.070 23.456 22.852 22.259 21.676 21.103 20.540 19.985 19.440 18.902 18.373 17.852 17.339 94.164 85.579 78.206 71.821 66.238 61.313 56.932 53.006 49.465 46.250 43.316 40.624 38.142 35.843 33.706 29.841 29.126 28.427 27.744 27.077 26.425 25.786 25.161 24.550 23.950 23.363 22.786 22.221 21.666 21.121 20.586 20.060 19.543 19.035 18.535 18.044 94.500 85.901 78.514 72.116 66.524 61.591 57.204 53.275 49.732 46.519 43.587 40.900 38.425 36.136 34.010 30.173 29.464 28.772 28.097 27.438 26.793 26.164 25.548 24.945 24.355 23.778 23.212 22.657 22.113 21.580 21.057 20.543 20.039 19.543 19.056 18.578 94.818 86.207 78.806 72.397 66.795 61.854 57.462 53.529 49.984 46.770 43.841 41.157 38.687 36.404 34.286 30.469 29.765 29.078 28.408 27.754 27.115 26.492 25.882 25.286 24.703 24.132 23.573 23.026 22.490 21.964 21.449 20.943 20.447 19.960 19.482 19.013 95.119 86.499 79.086 72.666 67.054 62.106 57.708 53.770 50.223 47.008 44.079 41.397 38.930 36.652 34.539 30.738 30.037 29.354 28.688 28.038 27.404 26.784 26.179 25.588 25.009 24.444 23.890 23.348 22.817 22.297 21.788 21.288 20.798 20.317 19.845 19.382 95.407 86.778 79.354 72.923 67.303 62.347 57.943 54.001 50.451 47.234 44.305 41.624 39.159 36.884 34.776 30.986 30.287 29.607 28.944 28.297 27.666 27.049 26.448 25.860 25.285 24.723 24.173 23.635 23.109 22.593 22.087 21.592 21.106 20.630 20.162 19.704 99999.999 87.047 79.612 73.171 67.542 62.579 58.169 54.223 50.669 47.451 44.520 41.839 39.376 37.103 34.997 31.216 30.519 29.841 29.180 28.536 27.907 27.293 26.694 26.109 25.537 24.978 24.431 23.896 23.372 22.860 22.357 21.865 21.383 20.910 20.446 19.990 H2N2O2,aq H2N2O2 P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 -2.000 1 -2.000 2 2.000 32 2.000 31 -60.097 -54.758 -50.143 -46.119 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -60.097 -54.758 -50.143 -46.119 -42.578 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -60.097 -54.758 -50.143 -46.119 -42.578 -39.435 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -60.108 -54.773 -50.158 -46.133 -42.591 -39.447 -36.634 -34.101 -31.804 -29.710 -27.791 -26.022 -24.380 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -60.113 -54.779 -50.164 -46.139 -42.597 -39.452 -36.639 -34.105 -31.807 -29.713 -27.794 -26.025 -24.384 -22.838 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -60.120 -54.787 -50.172 -46.147 -42.604 -39.458 -36.644 -34.110 -31.812 -29.717 -27.797 -26.028 -24.388 -22.851 -21.348 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -60.126 -54.794 -50.179 -46.153 -42.609 -39.464 -36.649 -34.114 -31.816 -29.720 -27.800 -26.031 -24.391 -22.858 -21.391 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -60.134 -54.803 -50.188 -46.162 -42.618 -39.471 -36.656 -34.120 -31.821 -29.725 -27.804 -26.034 -24.395 -22.865 -21.420 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -60.143 -54.813 -50.198 -46.171 -42.626 -39.479 -36.663 -34.126 -31.826 -29.729 -27.808 -26.037 -24.398 -22.870 -21.435 -17.934 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -60.152 -54.823 -50.208 -46.180 -42.634 -39.486 -36.669 -34.132 -31.831 -29.734 -27.811 -26.041 -24.401 -22.874 -21.444 -18.488 -17.738 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -60.162 -54.834 -50.218 -46.190 -42.643 -39.494 -36.676 -34.138 -31.837 -29.738 -27.815 -26.044 -24.404 -22.877 -21.449 -18.636 -18.037 -17.384 -16.665 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -60.172 -54.844 -50.228 -46.199 -42.652 -39.502 -36.683 -34.144 -31.842 -29.743 -27.819 -26.047 -24.407 -22.880 -21.453 -18.709 -18.160 -17.592 -16.993 -16.363 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -60.183 -54.855 -50.238 -46.208 -42.660 -39.509 -36.690 -34.150 -31.847 -29.748 -27.823 -26.051 -24.410 -22.883 -21.456 -18.754 -18.228 -17.696 -17.153 -16.593 -16.017 -15.432 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -60.193 -54.866 -50.248 -46.218 -42.669 -39.517 -36.697 -34.156 -31.853 -29.753 -27.828 -26.054 -24.413 -22.886 -21.459 -18.785 -18.272 -17.760 -17.244 -16.723 -16.192 -15.653 -15.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -60.205 -54.877 -50.259 -46.228 -42.678 -39.525 -36.704 -34.163 -31.858 -29.757 -27.832 -26.058 -24.416 -22.889 -21.462 -18.808 -18.303 -17.803 -17.304 -16.804 -16.301 -15.794 -15.284 -14.775 -14.270 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -60.216 -54.888 -50.270 -46.237 -42.687 -39.533 -36.712 -34.169 -31.864 -29.762 -27.836 -26.062 -24.419 -22.892 -21.464 -18.826 -18.327 -17.834 -17.345 -16.859 -16.373 -15.888 -15.401 -14.915 -14.431 -13.952 -13.481 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -60.228 -54.900 -50.280 -46.247 -42.696 -39.541 -36.719 -34.175 -31.870 -29.767 -27.840 -26.065 -24.422 -22.895 -21.467 -18.840 -18.345 -17.857 -17.376 -16.899 -16.425 -15.953 -15.483 -15.015 -14.548 -14.085 -13.627 -13.177 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -60.241 -54.912 -50.291 -46.257 -42.705 -39.550 -36.726 -34.182 -31.875 -29.772 -27.844 -26.069 -24.426 -22.898 -21.470 -18.852 -18.360 -17.876 -17.399 -16.929 -16.463 -16.001 -15.543 -15.087 -14.634 -14.185 -13.739 -13.299 -12.867 -12.442 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -60.253 -54.924 -50.302 -46.267 -42.714 -39.558 -36.733 -34.188 -31.881 -29.777 -27.849 -26.073 -24.429 -22.901 -21.473 -18.862 -18.372 -17.891 -17.418 -16.952 -16.492 -16.038 -15.588 -15.142 -14.699 -14.261 -13.826 -13.396 -12.972 -12.555 -12.145 99999.999 99999.999 99999.999 99999.999 99999.999 -60.266 -54.936 -50.313 -46.278 -42.723 -39.566 -36.741 -34.195 -31.887 -29.782 -27.853 -26.077 -24.433 -22.904 -21.477 -18.870 -18.382 -17.904 -17.434 -16.971 -16.516 -16.066 -15.623 -15.184 -14.749 -14.319 -13.894 -13.473 -13.057 -12.647 -12.243 -11.846 -11.457 99999.999 99999.999 99999.999 -60.279 -54.948 -50.325 -46.288 -42.732 -39.574 -36.748 -34.202 -31.893 -29.787 -27.858 -26.081 -24.436 -22.908 -21.480 -18.878 -18.391 -17.914 -17.447 -16.987 -16.535 -16.089 -15.650 -15.217 -14.789 -14.366 -13.947 -13.533 -13.125 -12.721 -12.324 -11.933 -11.548 -11.170 99999.999 99999.999 -60.293 -54.961 -50.336 -46.298 -42.742 -39.583 -36.756 -34.208 -31.899 -29.793 -27.862 -26.085 -24.440 -22.911 -21.484 -18.884 -18.399 -17.924 -17.457 -17.000 -16.550 -16.108 -15.673 -15.244 -14.820 -14.402 -13.990 -13.582 -13.180 -12.783 -12.391 -12.005 -11.625 -11.251 -10.884 -10.524 -60.307 -54.974 -50.348 -46.309 -42.751 -39.591 -36.763 -34.215 -31.904 -29.798 -27.867 -26.089 -24.443 -22.914 -21.487 -18.890 -18.406 -17.931 -17.467 -17.011 -16.563 -16.124 -15.691 -15.266 -14.846 -14.433 -14.025 -13.622 -13.225 -12.833 -12.446 -12.065 -11.690 -11.320 -10.957 -10.599 -60.460 -55.109 -50.468 -46.417 -42.848 -39.678 -36.841 -34.285 -31.966 -29.852 -27.914 -26.130 -24.480 -22.948 -21.520 -18.930 -18.449 -17.979 -17.520 -17.071 -16.632 -16.202 -15.781 -15.368 -14.964 -14.567 -14.178 -13.796 -13.421 -13.053 -12.691 -12.335 -11.986 -11.642 -11.303 -10.970 -60.636 -55.258 -50.599 -46.532 -42.951 -39.770 -36.924 -34.358 -32.032 -29.910 -27.966 -26.176 -24.520 -22.984 -21.552 -18.958 -18.477 -18.007 -17.549 -17.101 -16.663 -16.234 -15.815 -15.405 -15.003 -14.610 -14.225 -13.847 -13.477 -13.113 -12.757 -12.407 -12.064 -11.727 -11.396 -11.071 -60.831 -55.418 -50.736 -46.653 -43.059 -39.866 -37.010 -34.435 -32.101 -29.972 -28.021 -26.224 -24.563 -23.022 -21.585 -18.985 -18.503 -18.032 -17.573 -17.124 -16.686 -16.257 -15.838 -15.428 -15.027 -14.634 -14.249 -13.872 -13.503 -13.140 -12.785 -12.437 -12.095 -11.760 -11.431 -11.108 -61.042 -55.587 -50.881 -46.780 -43.171 -39.966 -37.099 -34.516 -32.173 -30.037 -28.079 -26.276 -24.610 -23.063 -21.622 -19.013 -18.530 -18.058 -17.598 -17.148 -16.709 -16.279 -15.859 -15.449 -15.047 -14.653 -14.268 -13.890 -13.521 -13.158 -12.803 -12.455 -12.113 -11.778 -11.449 -11.126 -61.265 -55.765 -51.031 -46.911 -43.286 -40.069 -37.192 -34.599 -32.248 -30.104 -28.140 -26.331 -24.659 -23.107 -21.661 -19.044 -18.560 -18.087 -17.625 -17.174 -16.733 -16.303 -15.882 -15.470 -15.067 -14.672 -14.286 -13.908 -13.537 -13.174 -12.819 -12.470 -12.127 -11.792 -11.462 -11.139 -61.499 -55.950 -51.187 -47.046 -43.405 -40.176 -37.287 -34.685 -32.325 -30.174 -28.203 -26.388 -24.710 -23.153 -21.703 -19.078 -18.591 -18.117 -17.654 -17.202 -16.760 -16.328 -15.906 -15.493 -15.088 -14.693 -14.306 -13.927 -13.555 -13.191 -12.834 -12.485 -12.142 -11.805 -11.475 -11.151 -61.743 -56.141 -51.347 -47.184 -43.528 -40.285 -37.385 -34.773 -32.405 -30.247 -28.269 -26.448 -24.764 -23.202 -21.747 -19.113 -18.626 -18.150 -17.685 -17.232 -16.788 -16.355 -15.932 -15.518 -15.112 -14.716 -14.327 -13.947 -13.575 -13.210 -12.852 -12.501 -12.157 -11.820 -11.489 -11.164 99999.999 -56.338 -51.511 -47.326 -43.653 -40.396 -37.485 -34.863 -32.487 -30.321 -28.337 -26.510 -24.821 -23.253 -21.793 -19.152 -18.662 -18.185 -17.719 -17.264 -16.819 -16.385 -15.960 -15.545 -15.138 -14.740 -14.351 -13.970 -13.596 -13.230 -12.871 -12.519 -12.174 -11.836 -11.504 -11.178 N2H5+ N2H5+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 5 -0.750 1 -0.250 6 -1.000 2 2.000 32 0.250 4 36.994 33.857 31.186 28.886 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.994 33.857 31.186 28.886 26.885 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.994 33.858 31.186 28.886 26.885 25.126 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.995 33.858 31.187 28.887 26.886 25.127 23.566 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.996 33.859 31.187 28.888 26.887 25.127 23.567 22.170 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.997 33.860 31.189 28.889 26.888 25.129 23.568 22.172 20.911 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.999 33.862 31.191 28.891 26.890 25.131 23.570 22.174 20.913 19.766 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.002 33.865 31.193 28.894 26.892 25.134 23.573 22.177 20.917 19.769 18.714 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.006 33.869 31.197 28.897 26.896 25.137 23.577 22.181 20.921 19.775 18.721 17.739 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.011 33.874 31.202 28.902 26.901 25.142 23.583 22.187 20.928 19.782 18.729 17.750 16.824 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.018 33.881 31.209 28.909 26.908 25.149 23.589 22.194 20.936 19.791 18.740 17.764 16.843 15.951 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.027 33.889 31.217 28.917 26.916 25.157 23.598 22.204 20.946 19.803 18.754 17.781 16.867 15.987 15.086 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.033 33.896 31.223 28.923 26.922 25.164 23.605 22.211 20.954 19.812 18.764 17.794 16.884 16.012 15.133 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.043 33.905 31.232 28.932 26.931 25.173 23.614 22.221 20.965 19.824 18.779 17.812 16.907 16.046 15.191 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.051 33.913 31.241 28.940 26.940 25.182 23.624 22.231 20.976 19.836 18.793 17.829 16.929 16.077 15.240 13.625 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.060 33.922 31.249 28.949 26.948 25.191 23.633 22.241 20.986 19.848 18.806 17.845 16.950 16.105 15.284 13.835 13.474 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.068 33.930 31.258 28.957 26.957 25.199 23.642 22.250 20.997 19.859 18.819 17.861 16.970 16.132 15.323 13.907 13.603 13.273 12.886 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.077 33.939 31.266 28.966 26.965 25.208 23.651 22.260 21.007 19.870 18.832 17.876 16.988 16.156 15.359 13.956 13.670 13.376 13.066 12.725 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.084 33.947 31.274 28.974 26.973 25.216 23.660 22.269 21.017 19.881 18.844 17.890 17.006 16.179 15.391 13.997 13.719 13.440 13.155 12.860 12.546 12.207 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.092 33.955 31.282 28.982 26.981 25.225 23.668 22.278 21.026 19.892 18.856 17.904 17.023 16.200 15.421 14.031 13.760 13.489 13.217 12.941 12.658 12.364 12.054 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.099 33.962 31.289 28.989 26.989 25.233 23.677 22.287 21.036 19.902 18.868 17.917 17.039 16.220 15.448 14.062 13.795 13.530 13.265 13.001 12.734 12.462 12.183 11.894 11.597 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.106 33.970 31.297 28.997 26.997 25.241 23.685 22.296 21.045 19.912 18.879 17.930 17.054 16.239 15.473 14.091 13.826 13.565 13.306 13.049 12.791 12.532 12.270 12.004 11.733 11.456 11.175 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.113 33.977 31.305 29.005 27.005 25.249 23.693 22.304 21.055 19.922 18.890 17.943 17.069 16.256 15.495 14.117 13.855 13.597 13.342 13.090 12.839 12.588 12.337 12.084 11.829 11.572 11.312 11.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.120 33.984 31.312 29.012 27.012 25.256 23.701 22.313 21.064 19.932 18.901 17.955 17.082 16.273 15.516 14.141 13.882 13.626 13.375 13.126 12.879 12.635 12.391 12.147 11.904 11.659 11.413 11.167 10.920 10.675 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.127 33.991 31.319 29.019 27.020 25.264 23.709 22.321 21.073 19.942 18.911 17.967 17.096 16.288 15.534 14.164 13.906 13.653 13.404 13.158 12.916 12.675 12.437 12.200 11.964 11.728 11.493 11.257 11.023 10.790 10.559 99999.999 99999.999 99999.999 99999.999 99999.999 37.133 33.998 31.326 29.027 27.027 25.272 23.717 22.329 21.081 19.951 18.922 17.978 17.109 16.303 15.552 14.186 13.930 13.678 13.431 13.188 12.949 12.712 12.477 12.245 12.015 11.786 11.558 11.331 11.105 10.881 10.659 10.440 10.224 99999.999 99999.999 99999.999 37.139 34.005 31.333 29.034 27.034 25.279 23.725 22.337 21.090 19.961 18.932 17.989 17.121 16.317 15.568 14.206 13.952 13.702 13.457 13.216 12.979 12.745 12.514 12.285 12.059 11.835 11.613 11.392 11.173 10.956 10.742 10.529 10.320 10.115 99999.999 99999.999 37.145 34.012 31.340 29.041 27.041 25.286 23.732 22.345 21.098 19.970 18.942 18.000 17.133 16.330 15.583 14.226 13.973 13.724 13.481 13.242 13.007 12.775 12.547 12.321 12.099 11.879 11.661 11.445 11.231 11.020 10.811 10.605 10.401 10.201 10.005 9.814 37.150 34.018 31.347 29.048 27.048 25.294 23.740 22.353 21.107 19.979 18.951 18.011 17.145 16.343 15.598 14.245 13.993 13.746 13.504 13.266 13.033 12.803 12.577 12.355 12.135 11.918 11.703 11.491 11.282 11.075 10.871 10.669 10.470 10.275 10.083 9.896 37.198 34.076 31.408 29.111 27.114 25.361 23.810 22.426 21.184 20.061 19.040 18.107 17.249 16.458 15.724 14.401 14.157 13.918 13.685 13.458 13.235 13.017 12.804 12.595 12.390 12.189 11.992 11.798 11.608 11.421 11.238 11.058 10.881 10.706 10.535 10.368 37.230 34.122 31.461 29.166 27.171 25.420 23.871 22.491 21.251 20.133 19.116 18.188 17.337 16.552 15.826 14.523 14.283 14.049 13.821 13.598 13.381 13.169 12.961 12.758 12.560 12.366 12.176 11.990 11.807 11.628 11.453 11.281 11.112 10.946 10.784 10.624 37.250 34.160 31.505 29.215 27.222 25.473 23.927 22.548 21.312 20.196 19.183 18.260 17.413 16.634 15.913 14.623 14.386 14.155 13.930 13.711 13.497 13.289 13.085 12.886 12.692 12.502 12.316 12.134 11.956 11.782 11.612 11.444 11.280 11.120 10.962 10.807 37.261 34.190 31.544 29.258 27.268 25.521 23.976 22.600 21.366 20.253 19.244 18.323 17.480 16.705 15.990 14.709 14.475 14.246 14.023 13.807 13.595 13.389 13.188 12.992 12.801 12.614 12.431 12.252 12.077 11.906 11.739 11.575 11.414 11.257 11.103 10.951 37.263 34.214 31.576 29.295 27.309 25.565 24.022 22.648 21.416 20.305 19.298 18.381 17.541 16.769 16.057 14.785 14.552 14.325 14.105 13.890 13.680 13.476 13.277 13.083 12.894 12.709 12.528 12.352 12.179 12.011 11.846 11.684 11.526 11.371 11.219 11.070 37.259 34.232 31.605 29.329 27.346 25.604 24.063 22.691 21.461 20.353 19.348 18.433 17.596 16.827 16.118 14.853 14.621 14.396 14.176 13.963 13.755 13.553 13.355 13.163 12.975 12.792 12.613 12.438 12.268 12.101 11.938 11.778 11.622 11.469 11.319 11.172 37.248 34.246 31.629 29.359 27.379 25.640 24.102 22.731 21.503 20.396 19.393 18.481 17.646 16.879 16.173 14.913 14.683 14.459 14.241 14.029 13.822 13.621 13.425 13.234 13.048 12.866 12.688 12.515 12.346 12.180 12.018 11.860 11.705 11.554 11.406 11.260 99999.999 34.255 31.649 29.385 27.409 25.673 24.137 22.768 21.542 20.437 19.436 18.525 17.692 16.928 16.224 14.969 14.739 14.516 14.299 14.088 13.883 13.683 13.488 13.298 13.113 12.932 12.756 12.583 12.415 12.251 12.090 11.933 11.780 11.630 11.483 11.339 N2H5+ N2H5+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 4 -1.000 1 -1.000 2 2.000 32 0.500 31 -1.031 -0.722 -0.424 -0.142 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.031 -0.722 -0.424 -0.142 0.123 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.031 -0.722 -0.424 -0.142 0.123 0.372 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.031 -0.722 -0.424 -0.142 0.123 0.372 0.606 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.032 -0.723 -0.425 -0.143 0.122 0.371 0.605 0.826 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.032 -0.723 -0.425 -0.143 0.122 0.371 0.605 0.826 1.033 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.033 -0.724 -0.426 -0.144 0.121 0.370 0.605 0.825 1.033 1.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.035 -0.726 -0.427 -0.145 0.120 0.370 0.604 0.825 1.033 1.229 1.415 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.037 -0.728 -0.429 -0.147 0.119 0.368 0.603 0.824 1.032 1.229 1.415 1.591 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.040 -0.730 -0.432 -0.149 0.117 0.367 0.602 0.823 1.032 1.229 1.415 1.591 1.761 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.044 -0.734 -0.435 -0.152 0.114 0.365 0.600 0.822 1.031 1.228 1.415 1.591 1.761 1.930 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.049 -0.739 -0.439 -0.156 0.111 0.362 0.598 0.820 1.029 1.227 1.414 1.592 1.761 1.927 2.119 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.053 -0.742 -0.442 -0.159 0.109 0.360 0.596 0.818 1.028 1.227 1.414 1.592 1.762 1.927 2.099 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.059 -0.748 -0.447 -0.163 0.105 0.357 0.593 0.816 1.027 1.226 1.414 1.592 1.763 1.927 2.088 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.065 -0.753 -0.452 -0.167 0.101 0.353 0.591 0.814 1.025 1.225 1.413 1.593 1.764 1.928 2.086 2.956 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.072 -0.759 -0.457 -0.172 0.097 0.350 0.588 0.812 1.023 1.223 1.413 1.593 1.765 1.930 2.087 2.631 2.849 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.079 -0.765 -0.462 -0.176 0.093 0.347 0.585 0.810 1.022 1.222 1.412 1.593 1.766 1.931 2.089 2.545 2.675 2.841 3.045 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.086 -0.771 -0.468 -0.181 0.089 0.343 0.582 0.808 1.020 1.221 1.412 1.593 1.766 1.933 2.092 2.505 2.605 2.722 2.861 3.021 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.093 -0.777 -0.473 -0.185 0.086 0.340 0.580 0.805 1.018 1.220 1.411 1.593 1.767 1.935 2.095 2.481 2.567 2.663 2.771 2.892 3.027 3.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.100 -0.783 -0.478 -0.190 0.081 0.337 0.577 0.803 1.016 1.219 1.410 1.593 1.768 1.936 2.097 2.465 2.544 2.628 2.720 2.820 2.930 3.047 3.169 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.108 -0.790 -0.484 -0.194 0.077 0.333 0.574 0.800 1.015 1.217 1.410 1.593 1.768 1.937 2.100 2.454 2.528 2.606 2.688 2.776 2.870 2.970 3.076 3.185 3.293 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.116 -0.796 -0.489 -0.199 0.073 0.330 0.571 0.798 1.013 1.216 1.409 1.592 1.768 1.938 2.102 2.446 2.517 2.590 2.666 2.746 2.830 2.919 3.013 3.110 3.209 3.308 3.405 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.124 -0.802 -0.495 -0.204 0.069 0.326 0.568 0.796 1.011 1.214 1.408 1.592 1.768 1.938 2.103 2.440 2.509 2.579 2.651 2.726 2.803 2.884 2.969 3.057 3.147 3.239 3.331 3.421 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.132 -0.809 -0.500 -0.209 0.065 0.322 0.565 0.793 1.009 1.213 1.407 1.591 1.768 1.939 2.104 2.436 2.502 2.570 2.640 2.711 2.784 2.859 2.938 3.018 3.102 3.187 3.273 3.359 3.444 3.527 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.140 -0.816 -0.506 -0.214 0.061 0.319 0.562 0.791 1.007 1.211 1.406 1.591 1.768 1.939 2.104 2.432 2.498 2.564 2.631 2.700 2.769 2.841 2.914 2.990 3.068 3.147 3.227 3.309 3.390 3.471 3.550 99999.999 99999.999 99999.999 99999.999 99999.999 -1.148 -0.823 -0.512 -0.219 0.057 0.315 0.559 0.788 1.005 1.210 1.405 1.590 1.768 1.939 2.105 2.429 2.494 2.559 2.625 2.691 2.758 2.827 2.897 2.969 3.042 3.116 3.192 3.269 3.347 3.424 3.501 3.577 3.652 99999.999 99999.999 99999.999 -1.157 -0.829 -0.517 -0.224 0.052 0.312 0.555 0.785 1.003 1.208 1.403 1.589 1.767 1.939 2.105 2.427 2.491 2.555 2.619 2.684 2.750 2.816 2.884 2.952 3.022 3.093 3.165 3.238 3.312 3.386 3.460 3.533 3.607 3.679 99999.999 99999.999 -1.166 -0.836 -0.523 -0.229 0.048 0.308 0.552 0.783 1.000 1.207 1.402 1.589 1.767 1.938 2.104 2.425 2.489 2.552 2.615 2.679 2.743 2.808 2.873 2.939 3.007 3.075 3.143 3.213 3.284 3.355 3.426 3.497 3.568 3.638 3.708 3.777 -1.175 -0.844 -0.529 -0.234 0.044 0.304 0.549 0.780 0.998 1.205 1.401 1.588 1.766 1.938 2.104 2.424 2.487 2.550 2.612 2.675 2.738 2.801 2.865 2.929 2.994 3.060 3.126 3.193 3.261 3.329 3.398 3.466 3.535 3.603 3.671 3.739 -1.272 -0.919 -0.592 -0.287 -0.002 0.265 0.516 0.752 0.975 1.186 1.387 1.577 1.759 1.934 2.101 2.419 2.481 2.541 2.601 2.660 2.719 2.777 2.835 2.893 2.949 3.006 3.062 3.118 3.174 3.229 3.284 3.339 3.394 3.448 3.502 3.556 -1.380 -1.001 -0.659 -0.344 -0.051 0.223 0.479 0.721 0.949 1.164 1.369 1.564 1.749 1.927 2.097 2.419 2.480 2.541 2.601 2.660 2.718 2.776 2.833 2.890 2.945 3.000 3.055 3.109 3.162 3.215 3.267 3.319 3.370 3.421 3.471 3.521 -1.499 -1.089 -0.730 -0.404 -0.102 0.178 0.441 0.688 0.920 1.140 1.349 1.548 1.737 1.917 2.091 2.417 2.479 2.540 2.601 2.661 2.720 2.778 2.835 2.892 2.948 3.003 3.057 3.111 3.164 3.217 3.269 3.320 3.371 3.421 3.470 3.519 -1.625 -1.182 -0.805 -0.466 -0.156 0.132 0.401 0.653 0.890 1.114 1.327 1.529 1.722 1.906 2.082 2.413 2.476 2.538 2.600 2.660 2.720 2.779 2.837 2.894 2.950 3.006 3.061 3.115 3.169 3.222 3.274 3.325 3.376 3.427 3.476 3.525 -1.757 -1.279 -0.883 -0.532 -0.212 0.084 0.359 0.616 0.858 1.086 1.303 1.509 1.705 1.892 2.070 2.407 2.471 2.534 2.596 2.658 2.718 2.778 2.836 2.894 2.952 3.008 3.063 3.118 3.173 3.226 3.279 3.331 3.382 3.433 3.483 3.533 -1.896 -1.380 -0.964 -0.599 -0.269 0.034 0.315 0.577 0.824 1.057 1.277 1.486 1.686 1.876 2.057 2.399 2.464 2.528 2.591 2.653 2.714 2.775 2.834 2.893 2.951 3.008 3.064 3.120 3.175 3.229 3.282 3.335 3.387 3.438 3.489 3.539 -2.039 -1.484 -1.047 -0.668 -0.329 -0.018 0.270 0.538 0.789 1.026 1.250 1.463 1.665 1.858 2.042 2.389 2.455 2.520 2.584 2.647 2.709 2.770 2.830 2.890 2.948 3.006 3.063 3.119 3.175 3.230 3.284 3.337 3.390 3.442 3.493 3.544 99999.999 -1.591 -1.132 -0.739 -0.389 -0.071 0.223 0.497 0.753 0.994 1.221 1.437 1.643 1.839 2.026 2.377 2.444 2.510 2.575 2.638 2.701 2.763 2.824 2.884 2.944 3.002 3.060 3.117 3.173 3.229 3.283 3.337 3.391 3.443 3.495 3.546 N2H6+2 N2H6+2 P-T:All Charge = 2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 5 0.250 1 -0.250 6 -1.000 2 2.000 32 0.250 4 37.873 34.884 32.338 30.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.873 34.884 32.338 30.148 28.245 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.873 34.884 32.338 30.148 28.245 26.575 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.873 34.884 32.338 30.148 28.245 26.575 25.098 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.873 34.884 32.338 30.148 28.245 26.575 25.098 23.782 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.874 34.884 32.338 30.149 28.245 26.575 25.099 23.782 22.602 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.874 34.884 32.339 30.149 28.245 26.576 25.099 23.783 22.602 21.536 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.874 34.885 32.339 30.149 28.246 26.576 25.099 23.783 22.603 21.536 20.567 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.875 34.885 32.340 30.150 28.246 26.577 25.100 23.784 22.604 21.537 20.569 19.682 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.876 34.886 32.340 30.150 28.247 26.577 25.101 23.785 22.605 21.539 20.570 19.684 18.866 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.876 34.886 32.341 30.151 28.248 26.578 25.102 23.786 22.606 21.541 20.572 19.687 18.870 18.100 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.877 34.887 32.342 30.152 28.249 26.580 25.103 23.788 22.608 21.543 20.575 19.691 18.876 18.113 17.354 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.878 34.888 32.342 30.153 28.250 26.581 25.104 23.789 22.609 21.544 20.577 19.693 18.879 18.120 17.388 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.879 34.889 32.343 30.154 28.251 26.582 25.106 23.791 22.611 21.547 20.580 19.697 18.884 18.128 17.414 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.879 34.889 32.344 30.155 28.252 26.583 25.107 23.793 22.613 21.549 20.582 19.700 18.888 18.135 17.429 15.448 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.879 34.890 32.345 30.155 28.253 26.584 25.109 23.794 22.615 21.551 20.585 19.703 18.892 18.140 17.439 15.889 15.443 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.879 34.890 32.345 30.156 28.254 26.585 25.110 23.796 22.617 21.553 20.587 19.706 18.895 18.145 17.447 16.009 15.684 15.311 14.881 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.879 34.890 32.346 30.157 28.255 26.587 25.111 23.797 22.619 21.555 20.590 19.708 18.899 18.150 17.453 16.072 15.786 15.481 15.149 14.786 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.879 34.891 32.346 30.158 28.256 26.588 25.112 23.799 22.620 21.557 20.592 19.711 18.902 18.154 17.458 16.113 15.846 15.570 15.282 14.978 14.655 14.322 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.879 34.891 32.347 30.158 28.256 26.588 25.114 23.800 22.622 21.559 20.594 19.714 18.905 18.158 17.463 16.143 15.886 15.626 15.361 15.088 14.804 14.509 14.208 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.878 34.891 32.347 30.159 28.257 26.589 25.115 23.801 22.623 21.561 20.596 19.716 18.908 18.161 17.467 16.166 15.916 15.666 15.414 15.159 14.898 14.630 14.357 14.079 13.802 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.878 34.890 32.347 30.159 28.258 26.590 25.116 23.802 22.625 21.562 20.598 19.719 18.911 18.165 17.472 16.185 15.940 15.696 15.453 15.209 14.963 14.713 14.459 14.202 13.943 13.685 13.429 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.877 34.890 32.347 30.159 28.258 26.591 25.117 23.804 22.626 21.564 20.600 19.721 18.914 18.168 17.476 16.201 15.959 15.721 15.484 15.247 15.010 14.772 14.533 14.291 14.048 13.804 13.560 13.320 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.876 34.890 32.347 30.160 28.259 26.592 25.118 23.805 22.628 21.566 20.602 19.723 18.917 18.172 17.480 16.214 15.976 15.740 15.508 15.277 15.047 14.818 14.588 14.357 14.126 13.894 13.663 13.433 13.205 12.980 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.875 34.889 32.347 30.160 28.259 26.593 25.119 23.806 22.629 21.567 20.604 19.726 18.919 18.176 17.485 16.226 15.990 15.757 15.528 15.301 15.077 14.853 14.631 14.409 14.187 13.965 13.743 13.522 13.303 13.087 12.873 99999.999 99999.999 99999.999 99999.999 99999.999 37.873 34.889 32.347 30.160 28.260 26.593 25.120 23.807 22.630 21.569 20.606 19.728 18.922 18.179 17.489 16.236 16.002 15.772 15.545 15.322 15.101 14.882 14.665 14.450 14.235 14.020 13.807 13.595 13.383 13.174 12.967 12.763 12.562 99999.999 99999.999 99999.999 37.872 34.888 32.347 30.160 28.260 26.594 25.120 23.808 22.632 21.571 20.608 19.730 18.925 18.182 17.494 16.246 16.013 15.784 15.560 15.339 15.122 14.907 14.694 14.483 14.274 14.066 13.859 13.653 13.449 13.246 13.045 12.847 12.651 12.459 99999.999 99999.999 37.870 34.888 32.347 30.160 28.261 26.594 25.121 23.809 22.633 21.572 20.610 19.732 18.928 18.186 17.498 16.254 16.023 15.796 15.573 15.355 15.139 14.927 14.718 14.511 14.306 14.103 13.901 13.701 13.503 13.306 13.111 12.918 12.727 12.540 12.354 12.172 37.869 34.887 32.346 30.160 28.261 26.595 25.122 23.810 22.634 21.573 20.611 19.734 18.930 18.189 17.502 16.262 16.031 15.806 15.585 15.368 15.155 14.945 14.739 14.535 14.333 14.134 13.937 13.741 13.548 13.356 13.166 12.978 12.792 12.609 12.428 12.250 37.845 34.875 32.340 30.158 28.262 26.598 25.128 23.818 22.644 21.585 20.626 19.752 18.951 18.215 17.535 16.315 16.091 15.872 15.659 15.451 15.248 15.049 14.855 14.666 14.480 14.298 14.120 13.945 13.773 13.605 13.440 13.277 13.118 12.961 12.806 12.655 37.811 34.855 32.328 30.151 28.259 26.598 25.130 23.823 22.651 21.594 20.637 19.765 18.967 18.234 17.557 16.348 16.126 15.910 15.700 15.495 15.296 15.101 14.911 14.726 14.545 14.369 14.196 14.027 13.862 13.701 13.543 13.388 13.236 13.088 12.942 12.800 37.770 34.831 32.312 30.141 28.252 26.595 25.130 23.825 22.655 21.600 20.645 19.774 18.979 18.248 17.574 16.371 16.151 15.936 15.728 15.525 15.327 15.135 14.947 14.764 14.586 14.411 14.241 14.075 13.913 13.755 13.600 13.448 13.300 13.155 13.013 12.875 37.721 34.801 32.293 30.128 28.243 26.590 25.127 23.824 22.657 21.604 20.650 19.782 18.988 18.259 17.587 16.388 16.169 15.956 15.748 15.547 15.350 15.159 14.973 14.791 14.614 14.441 14.273 14.108 13.948 13.791 13.638 13.488 13.342 13.199 13.059 12.922 37.667 34.768 32.270 30.111 28.232 26.582 25.122 23.822 22.656 21.606 20.654 19.787 18.994 18.267 17.597 16.402 16.183 15.971 15.765 15.564 15.368 15.178 14.992 14.812 14.635 14.464 14.296 14.133 13.973 13.818 13.665 13.517 13.372 13.230 13.091 12.955 37.607 34.731 32.244 30.093 28.218 26.572 25.115 23.818 22.655 21.606 20.655 19.790 18.999 18.273 17.604 16.413 16.195 15.983 15.777 15.577 15.382 15.192 15.008 14.828 14.652 14.481 14.315 14.152 13.993 13.838 13.687 13.539 13.395 13.254 13.116 12.981 37.544 34.691 32.216 30.072 28.203 26.560 25.107 23.812 22.651 21.604 20.656 19.792 19.003 18.278 17.610 16.421 16.204 15.993 15.788 15.588 15.394 15.204 15.020 14.841 14.666 14.496 14.330 14.167 14.009 13.855 13.704 13.557 13.413 13.273 13.136 13.001 99999.999 34.648 32.186 30.049 28.185 26.547 25.097 23.805 22.646 21.601 20.654 19.793 19.004 18.281 17.615 16.428 16.211 16.001 15.796 15.597 15.403 15.214 15.031 14.852 14.677 14.507 14.342 14.180 14.022 13.869 13.718 13.572 13.428 13.288 13.152 13.018 N2H6+2 N2H6+2 P-T:All Charge = 2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 3 -1.000 2 2.000 32 0.500 31 -0.152 0.304 0.728 1.120 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.152 0.304 0.728 1.120 1.482 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.152 0.304 0.728 1.119 1.482 1.821 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.153 0.303 0.727 1.119 1.482 1.820 2.138 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.154 0.302 0.726 1.118 1.481 1.819 2.137 2.438 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.156 0.300 0.725 1.116 1.479 1.818 2.136 2.437 2.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.158 0.298 0.722 1.114 1.477 1.815 2.133 2.434 2.722 3.000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.162 0.294 0.718 1.110 1.473 1.812 2.130 2.431 2.719 2.996 3.268 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.168 0.289 0.713 1.105 1.469 1.808 2.126 2.427 2.714 2.992 3.263 3.534 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.175 0.281 0.706 1.099 1.463 1.802 2.120 2.421 2.709 2.985 3.256 3.526 3.802 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.185 0.272 0.698 1.091 1.455 1.794 2.113 2.414 2.701 2.977 3.247 3.515 3.788 4.079 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.198 0.260 0.686 1.080 1.444 1.784 2.103 2.404 2.691 2.967 3.236 3.501 3.770 4.053 4.387 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.208 0.250 0.677 1.071 1.436 1.776 2.095 2.397 2.684 2.959 3.227 3.491 3.757 4.034 4.353 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.223 0.236 0.664 1.059 1.425 1.765 2.085 2.386 2.673 2.948 3.215 3.477 3.739 4.009 4.312 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.238 0.223 0.651 1.047 1.413 1.755 2.074 2.376 2.663 2.938 3.203 3.464 3.722 3.986 4.275 4.779 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.253 0.209 0.638 1.035 1.402 1.744 2.064 2.366 2.652 2.927 3.192 3.451 3.706 3.965 4.243 4.684 4.818 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.268 0.195 0.625 1.023 1.391 1.733 2.053 2.355 2.642 2.916 3.181 3.438 3.691 3.945 4.213 4.648 4.756 4.879 5.039 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.283 0.181 0.613 1.011 1.379 1.722 2.043 2.345 2.632 2.906 3.170 3.426 3.677 3.927 4.186 4.621 4.721 4.827 4.945 5.083 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.298 0.167 0.600 0.999 1.368 1.711 2.032 2.335 2.622 2.896 3.159 3.414 3.663 3.909 4.161 4.597 4.694 4.793 4.897 5.010 5.136 5.281 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.313 0.153 0.587 0.987 1.357 1.700 2.022 2.325 2.612 2.886 3.149 3.403 3.650 3.893 4.139 4.577 4.670 4.766 4.864 4.966 5.075 5.193 5.322 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.329 0.139 0.574 0.975 1.345 1.690 2.012 2.315 2.602 2.876 3.138 3.391 3.637 3.878 4.119 4.558 4.650 4.742 4.837 4.934 5.034 5.139 5.250 5.370 5.498 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.345 0.125 0.561 0.963 1.334 1.679 2.002 2.305 2.592 2.866 3.128 3.381 3.625 3.864 4.101 4.540 4.631 4.721 4.813 4.907 5.002 5.100 5.202 5.308 5.420 5.537 5.659 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.360 0.111 0.548 0.951 1.323 1.669 1.991 2.295 2.583 2.856 3.118 3.370 3.614 3.851 4.084 4.524 4.613 4.702 4.792 4.883 4.975 5.069 5.165 5.264 5.366 5.471 5.580 5.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.376 0.096 0.535 0.939 1.312 1.658 1.981 2.285 2.573 2.846 3.108 3.360 3.602 3.838 4.069 4.509 4.597 4.685 4.773 4.862 4.952 5.042 5.134 5.228 5.324 5.422 5.522 5.625 5.728 5.832 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.392 0.082 0.522 0.927 1.301 1.647 1.971 2.276 2.563 2.837 3.098 3.350 3.592 3.826 4.055 4.494 4.581 4.668 4.755 4.843 4.930 5.019 5.108 5.199 5.290 5.384 5.478 5.574 5.671 5.768 5.865 99999.999 99999.999 99999.999 99999.999 99999.999 -0.408 0.068 0.509 0.915 1.289 1.637 1.961 2.266 2.554 2.827 3.089 3.340 3.581 3.815 4.042 4.480 4.566 4.652 4.738 4.825 4.911 4.998 5.085 5.173 5.262 5.351 5.442 5.533 5.625 5.717 5.809 5.900 5.990 99999.999 99999.999 99999.999 -0.424 0.054 0.496 0.903 1.278 1.626 1.951 2.256 2.544 2.818 3.079 3.330 3.571 3.804 4.030 4.467 4.552 4.637 4.723 4.808 4.893 4.978 5.064 5.150 5.236 5.323 5.411 5.499 5.587 5.675 5.764 5.851 5.937 6.022 99999.999 99999.999 -0.440 0.039 0.483 0.891 1.267 1.616 1.941 2.247 2.535 2.809 3.070 3.321 3.561 3.794 4.019 4.454 4.539 4.623 4.708 4.792 4.876 4.960 5.045 5.129 5.214 5.299 5.384 5.469 5.555 5.640 5.726 5.810 5.894 5.976 6.057 6.135 -0.457 0.025 0.470 0.879 1.256 1.605 1.931 2.237 2.526 2.800 3.061 3.311 3.552 3.784 4.009 4.441 4.526 4.610 4.693 4.777 4.860 4.943 5.026 5.110 5.193 5.276 5.360 5.443 5.527 5.610 5.693 5.775 5.857 5.937 6.016 6.093 -0.624 -0.120 0.340 0.760 1.146 1.502 1.834 2.144 2.435 2.711 2.973 3.222 3.461 3.691 3.912 4.333 4.415 4.495 4.575 4.654 4.732 4.810 4.887 4.963 5.039 5.115 5.190 5.265 5.339 5.413 5.486 5.559 5.631 5.702 5.773 5.843 -0.799 -0.268 0.209 0.641 1.037 1.401 1.738 2.053 2.348 2.626 2.890 3.140 3.379 3.608 3.828 4.244 4.324 4.402 4.480 4.557 4.634 4.709 4.784 4.857 4.931 5.003 5.075 5.146 5.217 5.287 5.357 5.426 5.495 5.563 5.630 5.697 -0.979 -0.418 0.077 0.522 0.928 1.300 1.644 1.964 2.263 2.545 2.810 3.062 3.302 3.531 3.751 4.164 4.244 4.322 4.399 4.475 4.550 4.624 4.697 4.770 4.841 4.912 4.983 5.052 5.121 5.189 5.257 5.324 5.390 5.456 5.522 5.587 -1.165 -0.571 -0.056 0.404 0.820 1.200 1.551 1.877 2.180 2.465 2.734 2.988 3.229 3.459 3.679 4.092 4.171 4.248 4.325 4.400 4.475 4.548 4.621 4.693 4.763 4.834 4.903 4.971 5.039 5.106 5.173 5.239 5.304 5.368 5.432 5.496 -1.354 -0.725 -0.190 0.284 0.712 1.101 1.459 1.790 2.098 2.387 2.659 2.915 3.158 3.389 3.610 4.024 4.102 4.180 4.256 4.332 4.406 4.479 4.551 4.623 4.693 4.763 4.831 4.899 4.966 5.033 5.099 5.164 5.228 5.292 5.355 5.418 -1.547 -0.881 -0.324 0.165 0.603 1.002 1.367 1.704 2.017 2.310 2.585 2.844 3.089 3.322 3.544 3.959 4.038 4.115 4.192 4.267 4.341 4.414 4.487 4.558 4.628 4.697 4.766 4.833 4.900 4.966 5.031 5.096 5.160 5.223 5.286 5.348 -1.744 -1.039 -0.459 0.045 0.495 0.903 1.275 1.618 1.937 2.234 2.512 2.774 3.022 3.256 3.480 3.897 3.976 4.054 4.130 4.206 4.280 4.353 4.425 4.497 4.567 4.636 4.704 4.772 4.838 4.904 4.969 5.034 5.097 5.160 5.223 5.285 99999.999 -1.199 -0.595 -0.075 0.387 0.803 1.184 1.533 1.857 2.158 2.440 2.705 2.955 3.192 3.417 3.836 3.916 3.994 4.071 4.147 4.221 4.295 4.367 4.438 4.509 4.578 4.646 4.714 4.780 4.846 4.911 4.976 5.039 5.102 5.164 5.226 NaCl,aq NaCl(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 2 1.000 13 1.000 3 0.829 0.777 0.691 0.587 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.829 0.777 0.691 0.587 0.473 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.829 0.777 0.691 0.588 0.473 0.349 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.829 0.778 0.691 0.588 0.473 0.349 0.214 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.830 0.778 0.692 0.588 0.474 0.350 0.215 0.068 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.831 0.779 0.692 0.589 0.475 0.351 0.216 0.069 -0.093 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.833 0.780 0.694 0.591 0.476 0.352 0.218 0.071 -0.090 -0.273 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.835 0.782 0.695 0.592 0.478 0.355 0.221 0.075 -0.086 -0.267 -0.478 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.839 0.785 0.698 0.595 0.481 0.358 0.224 0.079 -0.081 -0.260 -0.468 -0.719 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.843 0.788 0.701 0.598 0.484 0.362 0.229 0.085 -0.073 -0.250 -0.454 -0.700 -1.013 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.849 0.793 0.705 0.602 0.489 0.367 0.235 0.092 -0.064 -0.238 -0.437 -0.675 -0.973 -1.384 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.856 0.798 0.710 0.607 0.495 0.373 0.243 0.102 -0.052 -0.223 -0.417 -0.645 -0.926 -1.300 -1.925 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.862 0.803 0.714 0.611 0.499 0.378 0.249 0.109 -0.043 -0.211 -0.401 -0.623 -0.892 -1.243 -1.790 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.869 0.809 0.720 0.617 0.505 0.385 0.257 0.119 -0.031 -0.195 -0.380 -0.593 -0.847 -1.169 -1.643 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.877 0.814 0.725 0.622 0.511 0.392 0.265 0.128 -0.019 -0.180 -0.360 -0.564 -0.805 -1.104 -1.523 -3.085 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.884 0.820 0.730 0.628 0.517 0.398 0.272 0.138 -0.008 -0.166 -0.341 -0.538 -0.767 -1.045 -1.421 -2.247 -2.763 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.891 0.825 0.735 0.633 0.522 0.404 0.280 0.146 0.003 -0.152 -0.322 -0.513 -0.732 -0.991 -1.332 -1.999 -2.283 -2.687 -3.298 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.897 0.830 0.740 0.638 0.527 0.411 0.287 0.155 0.014 -0.138 -0.305 -0.490 -0.699 -0.943 -1.254 -1.849 -2.060 -2.323 -2.668 -3.132 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.904 0.835 0.745 0.642 0.533 0.417 0.294 0.164 0.024 -0.125 -0.288 -0.468 -0.668 -0.899 -1.184 -1.737 -1.913 -2.118 -2.365 -2.671 -3.054 -3.528 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.910 0.840 0.749 0.647 0.538 0.422 0.301 0.172 0.034 -0.113 -0.273 -0.447 -0.640 -0.859 -1.122 -1.648 -1.801 -1.974 -2.173 -2.407 -2.684 -3.016 -3.407 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.916 0.845 0.753 0.651 0.543 0.428 0.307 0.180 0.044 -0.101 -0.257 -0.427 -0.614 -0.822 -1.067 -1.572 -1.710 -1.862 -2.033 -2.226 -2.447 -2.702 -2.997 -3.333 -3.708 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.921 0.849 0.758 0.656 0.547 0.433 0.314 0.187 0.054 -0.089 -0.243 -0.409 -0.589 -0.789 -1.018 -1.506 -1.632 -1.770 -1.921 -2.089 -2.276 -2.486 -2.722 -2.988 -3.284 -3.607 -3.953 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.927 0.854 0.762 0.660 0.552 0.439 0.320 0.195 0.063 -0.078 -0.229 -0.391 -0.566 -0.758 -0.974 -1.447 -1.564 -1.691 -1.828 -1.978 -2.142 -2.323 -2.522 -2.743 -2.986 -3.251 -3.535 -3.835 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.932 0.858 0.766 0.664 0.557 0.444 0.326 0.202 0.072 -0.067 -0.215 -0.374 -0.545 -0.730 -0.935 -1.394 -1.504 -1.622 -1.748 -1.884 -2.032 -2.192 -2.367 -2.557 -2.764 -2.987 -3.227 -3.481 -3.745 -4.016 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.937 0.862 0.770 0.668 0.561 0.449 0.332 0.209 0.080 -0.057 -0.203 -0.358 -0.524 -0.704 -0.900 -1.345 -1.449 -1.560 -1.678 -1.804 -1.938 -2.083 -2.240 -2.408 -2.589 -2.783 -2.991 -3.210 -3.438 -3.674 -3.915 99999.999 99999.999 99999.999 99999.999 99999.999 0.942 0.866 0.773 0.672 0.565 0.454 0.338 0.216 0.088 -0.047 -0.190 -0.343 -0.505 -0.680 -0.869 -1.300 -1.399 -1.504 -1.615 -1.732 -1.857 -1.990 -2.132 -2.284 -2.446 -2.619 -2.802 -2.995 -3.196 -3.405 -3.618 -3.833 -4.048 99999.999 99999.999 99999.999 0.946 0.870 0.777 0.676 0.570 0.459 0.343 0.223 0.097 -0.037 -0.178 -0.328 -0.487 -0.658 -0.841 -1.258 -1.353 -1.453 -1.557 -1.668 -1.785 -1.908 -2.040 -2.179 -2.326 -2.482 -2.647 -2.820 -3.000 -3.186 -3.377 -3.571 -3.765 -3.959 99999.999 99999.999 0.951 0.873 0.780 0.680 0.574 0.463 0.349 0.230 0.104 -0.027 -0.166 -0.314 -0.470 -0.637 -0.815 -1.219 -1.310 -1.405 -1.505 -1.610 -1.720 -1.835 -1.958 -2.087 -2.222 -2.365 -2.516 -2.672 -2.836 -3.004 -3.177 -3.353 -3.531 -3.708 -3.884 -4.056 0.955 0.877 0.784 0.683 0.578 0.468 0.354 0.236 0.112 -0.018 -0.155 -0.300 -0.454 -0.617 -0.791 -1.183 -1.270 -1.361 -1.456 -1.556 -1.660 -1.770 -1.884 -2.005 -2.131 -2.264 -2.402 -2.546 -2.696 -2.850 -3.009 -3.170 -3.333 -3.497 -3.660 -3.820 0.989 0.906 0.812 0.714 0.612 0.507 0.401 0.292 0.179 0.062 -0.059 -0.184 -0.316 -0.452 -0.595 -0.902 -0.967 -1.034 -1.103 -1.174 -1.246 -1.320 -1.396 -1.474 -1.554 -1.637 -1.721 -1.807 -1.895 -1.985 -2.077 -2.170 -2.264 -2.360 -2.457 -2.554 1.008 0.924 0.832 0.736 0.638 0.538 0.438 0.335 0.232 0.126 0.017 -0.095 -0.210 -0.329 -0.451 -0.709 -0.763 -0.817 -0.873 -0.929 -0.986 -1.045 -1.104 -1.165 -1.226 -1.289 -1.353 -1.418 -1.484 -1.551 -1.619 -1.688 -1.757 -1.828 -1.900 -1.972 1.016 0.934 0.844 0.752 0.657 0.562 0.467 0.371 0.274 0.176 0.077 -0.024 -0.127 -0.232 -0.340 -0.562 -0.608 -0.655 -0.702 -0.749 -0.798 -0.846 -0.896 -0.946 -0.997 -1.048 -1.100 -1.153 -1.207 -1.261 -1.316 -1.372 -1.428 -1.485 -1.542 -1.600 1.015 0.937 0.851 0.762 0.671 0.580 0.490 0.399 0.308 0.218 0.126 0.034 -0.059 -0.153 -0.249 -0.446 -0.486 -0.527 -0.568 -0.609 -0.651 -0.693 -0.735 -0.778 -0.821 -0.865 -0.910 -0.954 -1.000 -1.046 -1.092 -1.139 -1.186 -1.234 -1.283 -1.331 1.007 0.935 0.853 0.768 0.681 0.594 0.508 0.422 0.337 0.252 0.167 0.083 -0.002 -0.088 -0.175 -0.350 -0.386 -0.422 -0.458 -0.495 -0.531 -0.568 -0.606 -0.643 -0.681 -0.719 -0.758 -0.797 -0.836 -0.876 -0.916 -0.957 -0.998 -1.039 -1.081 -1.124 0.993 0.929 0.852 0.770 0.687 0.604 0.522 0.440 0.360 0.280 0.201 0.123 0.045 -0.033 -0.112 -0.271 -0.303 -0.335 -0.367 -0.400 -0.433 -0.466 -0.499 -0.532 -0.566 -0.600 -0.634 -0.668 -0.703 -0.738 -0.774 -0.810 -0.846 -0.882 -0.919 -0.957 0.974 0.919 0.846 0.769 0.690 0.611 0.533 0.455 0.379 0.304 0.230 0.157 0.085 0.013 -0.059 -0.203 -0.232 -0.261 -0.290 -0.320 -0.349 -0.379 -0.409 -0.439 -0.469 -0.499 -0.530 -0.561 -0.592 -0.623 -0.655 -0.687 -0.720 -0.752 -0.786 -0.819 99999.999 0.905 0.838 0.765 0.690 0.615 0.540 0.467 0.394 0.323 0.254 0.186 0.119 0.053 -0.013 -0.145 -0.171 -0.198 -0.224 -0.251 -0.278 -0.305 -0.332 -0.359 -0.386 -0.414 -0.441 -0.469 -0.498 -0.526 -0.555 -0.584 -0.613 -0.643 -0.673 -0.703 NaF,aq NaF(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 2 1.000 13 1.000 23 1.082 0.998 0.882 0.756 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.082 0.998 0.882 0.756 0.623 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.082 0.998 0.883 0.756 0.624 0.484 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.083 0.998 0.883 0.757 0.624 0.485 0.338 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.083 0.999 0.884 0.757 0.625 0.486 0.338 0.180 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.085 1.000 0.884 0.758 0.626 0.487 0.340 0.182 0.010 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.087 1.001 0.886 0.760 0.627 0.489 0.342 0.185 0.013 -0.180 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.090 1.004 0.888 0.762 0.629 0.491 0.345 0.188 0.018 -0.174 -0.396 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.094 1.007 0.890 0.764 0.632 0.494 0.349 0.193 0.024 -0.165 -0.385 -0.651 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.099 1.010 0.894 0.768 0.636 0.499 0.355 0.200 0.032 -0.154 -0.370 -0.629 -0.957 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.105 1.016 0.899 0.773 0.641 0.505 0.362 0.209 0.043 -0.140 -0.351 -0.601 -0.914 -1.335 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.114 1.022 0.905 0.779 0.648 0.512 0.370 0.220 0.057 -0.123 -0.327 -0.567 -0.862 -1.249 -1.855 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.120 1.027 0.909 0.783 0.653 0.518 0.377 0.228 0.067 -0.110 -0.309 -0.542 -0.824 -1.189 -1.742 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.129 1.034 0.915 0.789 0.660 0.526 0.387 0.239 0.081 -0.091 -0.285 -0.507 -0.773 -1.109 -1.599 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.138 1.041 0.922 0.796 0.667 0.534 0.396 0.251 0.095 -0.074 -0.261 -0.475 -0.726 -1.036 -1.475 -2.116 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.147 1.047 0.928 0.802 0.673 0.541 0.405 0.261 0.109 -0.057 -0.239 -0.445 -0.682 -0.970 -1.364 -1.809 -2.068 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.155 1.054 0.934 0.808 0.680 0.549 0.414 0.272 0.121 -0.041 -0.218 -0.416 -0.642 -0.909 -1.264 -1.690 -1.864 -2.095 -2.463 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.163 1.060 0.939 0.814 0.686 0.556 0.422 0.282 0.134 -0.025 -0.198 -0.389 -0.604 -0.854 -1.175 -1.597 -1.745 -1.917 -2.131 -2.426 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.171 1.066 0.945 0.820 0.693 0.563 0.431 0.292 0.146 -0.010 -0.178 -0.363 -0.569 -0.804 -1.095 -1.519 -1.652 -1.799 -1.967 -2.170 -2.426 -2.757 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.179 1.072 0.951 0.825 0.699 0.570 0.439 0.302 0.158 0.005 -0.160 -0.339 -0.536 -0.757 -1.024 -1.450 -1.572 -1.705 -1.851 -2.016 -2.208 -2.438 -2.717 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.187 1.078 0.956 0.831 0.705 0.577 0.447 0.312 0.170 0.019 -0.142 -0.316 -0.505 -0.715 -0.961 -1.387 -1.502 -1.624 -1.756 -1.901 -2.062 -2.244 -2.455 -2.699 -2.979 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.194 1.084 0.962 0.836 0.711 0.584 0.454 0.321 0.181 0.033 -0.125 -0.294 -0.477 -0.677 -0.905 -1.330 -1.438 -1.552 -1.674 -1.805 -1.948 -2.104 -2.278 -2.473 -2.692 -2.935 -3.199 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.201 1.090 0.967 0.842 0.716 0.590 0.462 0.330 0.192 0.046 -0.109 -0.274 -0.451 -0.642 -0.855 -1.278 -1.380 -1.488 -1.602 -1.723 -1.853 -1.993 -2.144 -2.310 -2.492 -2.690 -2.904 -3.133 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.208 1.095 0.972 0.847 0.722 0.597 0.470 0.339 0.203 0.059 -0.093 -0.254 -0.426 -0.610 -0.811 -1.229 -1.326 -1.429 -1.536 -1.650 -1.770 -1.898 -2.035 -2.182 -2.339 -2.509 -2.691 -2.883 -3.084 -3.292 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.215 1.101 0.977 0.852 0.728 0.603 0.477 0.347 0.213 0.072 -0.077 -0.235 -0.402 -0.580 -0.772 -1.183 -1.276 -1.374 -1.476 -1.583 -1.696 -1.815 -1.941 -2.074 -2.216 -2.366 -2.525 -2.692 -2.867 -3.046 -3.229 99999.999 99999.999 99999.999 99999.999 99999.999 1.222 1.106 0.982 0.857 0.733 0.609 0.484 0.356 0.223 0.084 -0.063 -0.217 -0.381 -0.553 -0.738 -1.140 -1.230 -1.323 -1.420 -1.522 -1.629 -1.740 -1.858 -1.981 -2.111 -2.247 -2.390 -2.540 -2.695 -2.854 -3.016 -3.179 -3.340 99999.999 99999.999 99999.999 1.228 1.111 0.987 0.862 0.739 0.615 0.491 0.364 0.233 0.096 -0.048 -0.200 -0.360 -0.528 -0.707 -1.099 -1.186 -1.275 -1.368 -1.466 -1.567 -1.672 -1.783 -1.898 -2.019 -2.145 -2.276 -2.412 -2.553 -2.697 -2.843 -2.991 -3.137 -3.281 99999.999 99999.999 1.234 1.116 0.992 0.867 0.744 0.621 0.498 0.372 0.243 0.107 -0.035 -0.183 -0.340 -0.505 -0.678 -1.060 -1.144 -1.230 -1.320 -1.413 -1.509 -1.610 -1.714 -1.823 -1.937 -2.054 -2.176 -2.302 -2.432 -2.564 -2.699 -2.834 -2.969 -3.102 -3.231 -3.356 1.241 1.121 0.996 0.872 0.749 0.627 0.505 0.380 0.252 0.119 -0.021 -0.167 -0.321 -0.482 -0.652 -1.023 -1.104 -1.188 -1.274 -1.363 -1.456 -1.552 -1.651 -1.755 -1.862 -1.973 -2.087 -2.205 -2.326 -2.449 -2.574 -2.700 -2.826 -2.950 -3.072 -3.190 1.294 1.166 1.039 0.916 0.797 0.681 0.566 0.452 0.336 0.218 0.097 -0.028 -0.158 -0.292 -0.431 -0.725 -0.787 -0.851 -0.915 -0.981 -1.049 -1.117 -1.188 -1.260 -1.334 -1.409 -1.485 -1.563 -1.643 -1.723 -1.805 -1.888 -1.971 -2.055 -2.139 -2.223 1.335 1.202 1.075 0.954 0.838 0.726 0.618 0.512 0.406 0.300 0.192 0.083 -0.030 -0.145 -0.262 -0.507 -0.558 -0.609 -0.662 -0.715 -0.769 -0.823 -0.879 -0.935 -0.993 -1.051 -1.111 -1.171 -1.232 -1.294 -1.357 -1.421 -1.486 -1.551 -1.617 -1.684 1.366 1.232 1.105 0.986 0.873 0.766 0.663 0.563 0.465 0.368 0.272 0.174 0.076 -0.025 -0.126 -0.335 -0.378 -0.421 -0.465 -0.509 -0.554 -0.600 -0.645 -0.692 -0.739 -0.787 -0.835 -0.884 -0.934 -0.985 -1.036 -1.088 -1.140 -1.193 -1.247 -1.302 1.389 1.255 1.130 1.014 0.904 0.800 0.702 0.608 0.516 0.427 0.339 0.252 0.164 0.076 -0.013 -0.194 -0.231 -0.268 -0.306 -0.343 -0.381 -0.420 -0.459 -0.498 -0.537 -0.578 -0.618 -0.659 -0.701 -0.743 -0.786 -0.829 -0.873 -0.918 -0.963 -1.008 1.406 1.275 1.152 1.038 0.931 0.831 0.737 0.647 0.562 0.479 0.398 0.319 0.240 0.162 0.083 -0.075 -0.107 -0.140 -0.172 -0.204 -0.237 -0.270 -0.304 -0.337 -0.371 -0.406 -0.440 -0.476 -0.511 -0.547 -0.583 -0.620 -0.658 -0.696 -0.734 -0.773 1.418 1.291 1.170 1.059 0.955 0.859 0.768 0.683 0.602 0.524 0.450 0.377 0.306 0.236 0.166 0.027 -0.001 -0.030 -0.058 -0.086 -0.115 -0.144 -0.172 -0.202 -0.231 -0.261 -0.291 -0.321 -0.352 -0.383 -0.414 -0.446 -0.479 -0.511 -0.545 -0.578 1.425 1.303 1.186 1.077 0.976 0.883 0.796 0.714 0.638 0.565 0.496 0.429 0.364 0.301 0.239 0.115 0.091 0.066 0.041 0.016 -0.009 -0.034 -0.059 -0.085 -0.111 -0.137 -0.163 -0.189 -0.216 -0.243 -0.271 -0.298 -0.327 -0.355 -0.384 -0.414 99999.999 1.314 1.199 1.093 0.995 0.905 0.821 0.743 0.670 0.602 0.537 0.475 0.416 0.359 0.303 0.193 0.172 0.150 0.128 0.106 0.084 0.062 0.039 0.017 -0.006 -0.028 -0.051 -0.075 -0.098 -0.122 -0.146 -0.171 -0.196 -0.221 -0.247 -0.273 NaOH,aq NaOH(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 1.000 Ref: Shock07 3 -1.000 1 1.000 13 1.000 2 15.131 14.205 13.464 12.866 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.131 14.205 13.464 12.866 12.377 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.131 14.204 13.464 12.865 12.377 11.975 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.131 14.204 13.463 12.865 12.376 11.975 11.642 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.130 14.203 13.462 12.864 12.376 11.974 11.641 11.364 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.128 14.201 13.461 12.862 12.374 11.973 11.640 11.363 11.130 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.126 14.199 13.459 12.860 12.372 11.971 11.638 11.361 11.129 10.932 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.122 14.196 13.455 12.857 12.369 11.968 11.636 11.359 11.127 10.930 10.762 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.118 14.191 13.451 12.853 12.365 11.964 11.632 11.356 11.124 10.928 10.760 10.613 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.112 14.185 13.445 12.847 12.360 11.959 11.628 11.351 11.120 10.924 10.757 10.611 10.480 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.104 14.177 13.437 12.840 12.353 11.953 11.621 11.345 11.114 10.920 10.753 10.609 10.479 10.358 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.093 14.166 13.427 12.830 12.344 11.944 11.613 11.338 11.108 10.913 10.748 10.605 10.478 10.360 10.239 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.085 14.158 13.419 12.823 12.337 11.937 11.607 11.332 11.102 10.909 10.744 10.602 10.477 10.361 10.241 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.074 14.147 13.408 12.812 12.327 11.928 11.598 11.324 11.095 10.902 10.738 10.598 10.475 10.363 10.248 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.062 14.135 13.397 12.802 12.317 11.918 11.589 11.315 11.087 10.895 10.732 10.593 10.472 10.364 10.255 10.301 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.051 14.124 13.386 12.791 12.307 11.909 11.580 11.307 11.079 10.888 10.726 10.588 10.470 10.364 10.261 10.233 10.244 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.039 14.112 13.375 12.781 12.297 11.899 11.571 11.299 11.071 10.880 10.720 10.583 10.466 10.364 10.266 10.211 10.206 10.208 10.202 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.028 14.100 13.364 12.770 12.287 11.890 11.562 11.290 11.063 10.873 10.713 10.578 10.463 10.363 10.270 10.199 10.189 10.183 10.180 10.173 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.017 14.089 13.353 12.759 12.276 11.880 11.553 11.282 11.056 10.866 10.707 10.573 10.459 10.361 10.272 10.192 10.179 10.169 10.162 10.156 10.149 10.134 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.005 14.077 13.341 12.749 12.266 11.871 11.544 11.273 11.048 10.859 10.700 10.567 10.455 10.359 10.274 10.186 10.172 10.160 10.150 10.143 10.137 10.129 10.117 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.994 14.066 13.330 12.738 12.256 11.861 11.535 11.265 11.040 10.852 10.694 10.561 10.450 10.356 10.274 10.181 10.166 10.153 10.142 10.133 10.126 10.120 10.112 10.103 10.089 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.982 14.055 13.319 12.728 12.246 11.852 11.526 11.257 11.032 10.844 10.687 10.555 10.445 10.353 10.274 10.176 10.161 10.147 10.136 10.126 10.118 10.111 10.105 10.098 10.090 10.080 10.068 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.971 14.043 13.308 12.717 12.236 11.842 11.517 11.248 11.024 10.837 10.680 10.549 10.440 10.349 10.272 10.171 10.156 10.142 10.130 10.120 10.111 10.104 10.098 10.092 10.086 10.080 10.073 10.065 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.960 14.032 13.297 12.707 12.226 11.833 11.508 11.240 11.016 10.829 10.674 10.543 10.435 10.345 10.269 10.167 10.151 10.137 10.125 10.115 10.106 10.098 10.091 10.086 10.081 10.076 10.072 10.067 10.062 10.056 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.949 14.020 13.286 12.696 12.216 11.823 11.499 11.231 11.008 10.822 10.667 10.537 10.429 10.340 10.266 10.163 10.147 10.133 10.121 10.110 10.101 10.093 10.086 10.080 10.076 10.072 10.068 10.065 10.062 10.059 10.057 99999.999 99999.999 99999.999 99999.999 99999.999 14.937 14.009 13.275 12.686 12.206 11.814 11.490 11.223 11.000 10.815 10.660 10.531 10.424 10.335 10.262 10.158 10.143 10.129 10.116 10.106 10.096 10.088 10.081 10.075 10.071 10.067 10.064 10.062 10.060 10.059 10.058 10.058 10.059 99999.999 99999.999 99999.999 14.926 13.998 13.264 12.675 12.196 11.804 11.482 11.214 10.992 10.807 10.653 10.524 10.418 10.330 10.258 10.154 10.138 10.125 10.112 10.101 10.092 10.084 10.077 10.071 10.066 10.062 10.060 10.058 10.056 10.056 10.056 10.057 10.059 10.063 99999.999 99999.999 14.915 13.986 13.253 12.665 12.186 11.795 11.473 11.206 10.984 10.800 10.646 10.518 10.412 10.324 10.253 10.149 10.134 10.120 10.108 10.097 10.088 10.080 10.073 10.067 10.062 10.058 10.055 10.053 10.053 10.052 10.053 10.055 10.058 10.061 10.066 10.073 14.904 13.975 13.242 12.654 12.177 11.786 11.464 11.197 10.976 10.792 10.639 10.512 10.406 10.319 10.248 10.145 10.130 10.116 10.104 10.093 10.084 10.076 10.069 10.063 10.058 10.054 10.051 10.050 10.049 10.049 10.050 10.052 10.055 10.059 10.064 10.070 14.793 13.863 13.134 12.550 12.078 11.692 11.374 11.113 10.896 10.717 10.568 10.445 10.344 10.261 10.194 10.099 10.086 10.073 10.062 10.053 10.044 10.037 10.031 10.026 10.022 10.019 10.017 10.016 10.015 10.015 10.016 10.018 10.021 10.024 10.028 10.033 14.683 13.752 13.026 12.448 11.980 11.599 11.286 11.029 10.816 10.641 10.497 10.378 10.281 10.202 10.138 10.050 10.038 10.027 10.017 10.009 10.002 9.996 9.992 9.988 9.985 9.983 9.982 9.982 9.983 9.984 9.986 9.989 9.992 9.996 10.000 10.005 14.576 13.642 12.920 12.346 11.883 11.506 11.198 10.945 10.737 10.566 10.425 10.310 10.216 10.141 10.081 9.999 9.988 9.978 9.970 9.963 9.957 9.953 9.949 9.947 9.945 9.944 9.944 9.945 9.947 9.950 9.953 9.956 9.961 9.965 9.971 9.977 14.469 13.535 12.816 12.246 11.788 11.415 11.111 10.862 10.658 10.490 10.353 10.242 10.151 10.079 10.023 9.947 9.937 9.928 9.921 9.915 9.910 9.907 9.904 9.903 9.902 9.903 9.904 9.906 9.909 9.912 9.917 9.921 9.927 9.932 9.939 9.946 14.364 13.428 12.712 12.147 11.693 11.325 11.025 10.780 10.579 10.415 10.282 10.173 10.086 10.017 9.964 9.893 9.885 9.877 9.871 9.866 9.862 9.860 9.858 9.858 9.858 9.860 9.862 9.865 9.869 9.873 9.878 9.884 9.890 9.897 9.904 9.912 14.260 13.323 12.610 12.049 11.599 11.236 10.940 10.699 10.502 10.341 10.211 10.105 10.021 9.955 9.904 9.840 9.832 9.825 9.820 9.816 9.813 9.812 9.811 9.812 9.813 9.815 9.819 9.822 9.827 9.832 9.838 9.845 9.852 9.860 9.868 9.876 14.158 13.218 12.509 11.952 11.506 11.147 10.855 10.618 10.424 10.267 10.140 10.038 9.957 9.893 9.845 9.785 9.778 9.773 9.769 9.766 9.764 9.763 9.763 9.765 9.767 9.770 9.774 9.779 9.784 9.790 9.797 9.805 9.812 9.821 9.830 9.839 99999.999 13.115 12.408 11.855 11.415 11.059 10.772 10.538 10.348 10.194 10.070 9.970 9.892 9.832 9.786 9.731 9.725 9.720 9.717 9.715 9.714 9.714 9.715 9.717 9.720 9.724 9.729 9.734 9.741 9.748 9.755 9.763 9.772 9.781 9.791 9.801 NiCl+ NiCl(+) P-T:All Charge = 1. Radius(Å) = 4.38 Alk. = 0.000 Ref: Shock07 2 1.000 26 1.000 3 1.044 0.996 0.883 0.735 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.044 0.996 0.883 0.735 0.562 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.044 0.996 0.884 0.735 0.563 0.370 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.044 0.997 0.884 0.735 0.563 0.371 0.161 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.045 0.997 0.884 0.736 0.563 0.371 0.161 -0.067 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.046 0.997 0.885 0.737 0.564 0.372 0.163 -0.065 -0.313 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.047 0.998 0.886 0.738 0.565 0.374 0.164 -0.063 -0.310 -0.582 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.048 1.000 0.887 0.739 0.567 0.376 0.167 -0.059 -0.306 -0.576 -0.880 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.050 1.001 0.889 0.741 0.570 0.379 0.171 -0.055 -0.299 -0.568 -0.869 -1.218 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.053 1.004 0.891 0.744 0.573 0.383 0.176 -0.049 -0.292 -0.557 -0.854 -1.196 -1.608 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.056 1.006 0.894 0.747 0.577 0.388 0.182 -0.041 -0.281 -0.544 -0.836 -1.169 -1.565 -2.068 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.060 1.010 0.898 0.751 0.582 0.394 0.190 -0.031 -0.269 -0.527 -0.813 -1.136 -1.514 -1.984 -2.663 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.062 1.013 0.901 0.755 0.586 0.399 0.196 -0.023 -0.259 -0.515 -0.796 -1.111 -1.477 -1.924 -2.555 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.066 1.016 0.904 0.759 0.591 0.405 0.204 -0.013 -0.246 -0.497 -0.772 -1.078 -1.427 -1.846 -2.418 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.070 1.019 0.908 0.763 0.596 0.412 0.212 -0.003 -0.233 -0.481 -0.750 -1.046 -1.381 -1.775 -2.296 -2.997 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.073 1.023 0.912 0.767 0.601 0.418 0.219 0.007 -0.221 -0.465 -0.729 -1.017 -1.339 -1.710 -2.186 -2.753 -3.014 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.076 1.026 0.915 0.771 0.606 0.424 0.227 0.016 -0.209 -0.450 -0.708 -0.989 -1.299 -1.650 -2.089 -2.653 -2.845 -3.087 -3.458 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.079 1.028 0.918 0.775 0.610 0.429 0.234 0.025 -0.198 -0.435 -0.689 -0.963 -1.262 -1.596 -2.001 -2.570 -2.742 -2.935 -3.165 -3.472 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.081 1.031 0.921 0.779 0.615 0.435 0.241 0.034 -0.187 -0.421 -0.671 -0.939 -1.228 -1.547 -1.922 -2.498 -2.658 -2.830 -3.021 -3.243 -3.515 -3.861 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.084 1.033 0.924 0.782 0.619 0.440 0.248 0.042 -0.176 -0.408 -0.653 -0.915 -1.196 -1.502 -1.852 -2.433 -2.585 -2.745 -2.917 -3.105 -3.319 -3.568 -3.865 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.086 1.035 0.926 0.785 0.623 0.445 0.254 0.050 -0.166 -0.394 -0.637 -0.894 -1.167 -1.461 -1.790 -2.375 -2.519 -2.670 -2.830 -3.001 -3.187 -3.392 -3.624 -3.889 -4.189 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.087 1.037 0.929 0.788 0.627 0.450 0.260 0.058 -0.156 -0.382 -0.621 -0.873 -1.139 -1.423 -1.735 -2.321 -2.460 -2.604 -2.755 -2.914 -3.083 -3.265 -3.463 -3.681 -3.921 -4.186 -4.472 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.089 1.039 0.931 0.791 0.631 0.455 0.266 0.066 -0.146 -0.370 -0.605 -0.853 -1.114 -1.390 -1.687 -2.271 -2.405 -2.543 -2.687 -2.837 -2.995 -3.162 -3.340 -3.531 -3.736 -3.958 -4.196 -4.447 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.090 1.041 0.933 0.794 0.634 0.460 0.272 0.073 -0.137 -0.358 -0.591 -0.835 -1.090 -1.359 -1.644 -2.225 -2.354 -2.487 -2.625 -2.769 -2.918 -3.074 -3.239 -3.412 -3.596 -3.790 -3.996 -4.213 -4.438 -4.669 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.092 1.043 0.936 0.797 0.638 0.464 0.278 0.080 -0.128 -0.347 -0.577 -0.817 -1.068 -1.330 -1.606 -2.181 -2.307 -2.436 -2.569 -2.706 -2.849 -2.997 -3.151 -3.312 -3.481 -3.658 -3.842 -4.035 -4.234 -4.439 -4.646 99999.999 99999.999 99999.999 99999.999 99999.999 1.092 1.044 0.938 0.800 0.641 0.468 0.283 0.087 -0.119 -0.336 -0.563 -0.800 -1.048 -1.305 -1.573 -2.140 -2.262 -2.387 -2.516 -2.649 -2.786 -2.927 -3.074 -3.226 -3.383 -3.547 -3.717 -3.893 -4.073 -4.258 -4.446 -4.634 -4.820 99999.999 99999.999 99999.999 1.093 1.045 0.939 0.802 0.645 0.473 0.289 0.094 -0.111 -0.325 -0.550 -0.784 -1.028 -1.281 -1.543 -2.101 -2.220 -2.342 -2.467 -2.595 -2.727 -2.863 -3.003 -3.148 -3.297 -3.452 -3.610 -3.774 -3.941 -4.111 -4.284 -4.457 -4.629 -4.799 99999.999 99999.999 1.094 1.046 0.941 0.804 0.648 0.477 0.294 0.101 -0.102 -0.315 -0.538 -0.769 -1.009 -1.258 -1.516 -2.064 -2.180 -2.299 -2.420 -2.545 -2.673 -2.804 -2.939 -3.078 -3.220 -3.367 -3.517 -3.671 -3.828 -3.988 -4.149 -4.311 -4.472 -4.631 -4.787 -4.938 1.094 1.047 0.943 0.807 0.651 0.481 0.299 0.107 -0.094 -0.305 -0.525 -0.754 -0.992 -1.237 -1.491 -2.029 -2.142 -2.258 -2.377 -2.498 -2.622 -2.749 -2.879 -3.013 -3.150 -3.290 -3.434 -3.580 -3.729 -3.880 -4.032 -4.185 -4.338 -4.489 -4.637 -4.782 1.088 1.050 0.952 0.823 0.675 0.513 0.341 0.161 -0.026 -0.220 -0.421 -0.628 -0.841 -1.059 -1.283 -1.745 -1.841 -1.937 -2.035 -2.134 -2.234 -2.335 -2.438 -2.542 -2.648 -2.755 -2.863 -2.972 -3.083 -3.194 -3.307 -3.420 -3.533 -3.647 -3.760 -3.874 1.066 1.042 0.953 0.831 0.690 0.535 0.372 0.202 0.026 -0.155 -0.341 -0.532 -0.727 -0.925 -1.127 -1.540 -1.624 -1.709 -1.795 -1.881 -1.968 -2.056 -2.144 -2.233 -2.323 -2.414 -2.505 -2.597 -2.691 -2.784 -2.879 -2.974 -3.070 -3.166 -3.262 -3.360 1.032 1.025 0.946 0.831 0.697 0.550 0.395 0.233 0.066 -0.104 -0.279 -0.456 -0.637 -0.820 -1.005 -1.381 -1.458 -1.534 -1.611 -1.689 -1.767 -1.845 -1.924 -2.003 -2.083 -2.163 -2.244 -2.325 -2.407 -2.489 -2.572 -2.655 -2.739 -2.824 -2.909 -2.994 0.989 1.001 0.932 0.826 0.699 0.559 0.410 0.256 0.097 -0.064 -0.229 -0.395 -0.564 -0.734 -0.906 -1.254 -1.324 -1.394 -1.465 -1.536 -1.607 -1.678 -1.750 -1.822 -1.894 -1.966 -2.039 -2.113 -2.187 -2.261 -2.335 -2.410 -2.485 -2.561 -2.638 -2.714 0.938 0.970 0.913 0.816 0.696 0.562 0.420 0.272 0.121 -0.033 -0.189 -0.346 -0.505 -0.664 -0.825 -1.149 -1.214 -1.279 -1.345 -1.410 -1.476 -1.542 -1.608 -1.674 -1.741 -1.807 -1.874 -1.941 -2.009 -2.077 -2.145 -2.214 -2.282 -2.352 -2.421 -2.491 0.881 0.936 0.890 0.801 0.688 0.561 0.425 0.284 0.139 -0.008 -0.156 -0.306 -0.456 -0.607 -0.758 -1.062 -1.123 -1.184 -1.245 -1.306 -1.367 -1.428 -1.490 -1.551 -1.613 -1.675 -1.737 -1.800 -1.862 -1.925 -1.988 -2.052 -2.115 -2.179 -2.244 -2.308 0.820 0.897 0.863 0.783 0.677 0.557 0.427 0.291 0.152 0.012 -0.130 -0.273 -0.415 -0.558 -0.701 -0.988 -1.045 -1.103 -1.160 -1.217 -1.275 -1.333 -1.390 -1.448 -1.506 -1.564 -1.622 -1.681 -1.739 -1.798 -1.857 -1.916 -1.976 -2.035 -2.096 -2.156 99999.999 0.855 0.833 0.762 0.663 0.549 0.425 0.295 0.162 0.027 -0.109 -0.246 -0.382 -0.518 -0.654 -0.925 -0.979 -1.034 -1.088 -1.142 -1.196 -1.251 -1.305 -1.360 -1.414 -1.469 -1.524 -1.579 -1.634 -1.690 -1.745 -1.801 -1.857 -1.913 -1.970 -2.027 NiF+ NiF(1) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 2 1.000 26 1.000 23 -1.122 -1.120 -1.194 -1.310 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.122 -1.120 -1.194 -1.310 -1.453 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.122 -1.120 -1.194 -1.309 -1.453 -1.618 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.113 -1.113 -1.187 -1.301 -1.442 -1.605 -1.788 -1.990 -2.213 -2.462 -2.745 -3.077 -3.483 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.110 -1.110 -1.184 -1.298 -1.438 -1.600 -1.782 -1.982 -2.203 -2.448 -2.725 -3.048 -3.438 -3.937 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.105 -1.106 -1.180 -1.293 -1.433 -1.594 -1.774 -1.972 -2.189 -2.430 -2.700 -3.012 -3.383 -3.850 -4.528 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.102 -1.103 -1.177 -1.290 -1.429 -1.589 -1.767 -1.964 -2.179 -2.417 -2.682 -2.986 -3.344 -3.787 -4.422 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.097 -1.100 -1.173 -1.286 -1.424 -1.582 -1.759 -1.953 -2.165 -2.398 -2.657 -2.950 -3.290 -3.704 -4.280 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.093 -1.096 -1.169 -1.281 -1.419 -1.576 -1.751 -1.942 -2.152 -2.381 -2.633 -2.917 -3.241 -3.628 -4.151 -4.621 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.089 -1.092 -1.166 -1.277 -1.413 -1.569 -1.743 -1.932 -2.139 -2.364 -2.611 -2.885 -3.195 -3.558 -4.035 -4.479 -4.685 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.085 -1.089 -1.162 -1.273 -1.409 -1.563 -1.735 -1.922 -2.126 -2.347 -2.589 -2.855 -3.152 -3.495 -3.930 -4.406 -4.571 -4.775 -5.105 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.082 -1.086 -1.159 -1.269 -1.404 -1.557 -1.727 -1.913 -2.114 -2.332 -2.569 -2.827 -3.113 -3.436 -3.836 -4.334 -4.489 -4.658 -4.860 -5.136 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.078 -1.083 -1.156 -1.265 -1.399 -1.551 -1.720 -1.903 -2.102 -2.317 -2.549 -2.801 -3.076 -3.383 -3.751 -4.268 -4.415 -4.571 -4.742 -4.941 -5.189 -5.515 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.075 -1.080 -1.152 -1.261 -1.394 -1.546 -1.713 -1.894 -2.091 -2.302 -2.530 -2.776 -3.042 -3.335 -3.676 -4.206 -4.347 -4.494 -4.651 -4.823 -5.017 -5.247 -5.527 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.072 -1.077 -1.149 -1.258 -1.390 -1.540 -1.706 -1.885 -2.079 -2.288 -2.512 -2.752 -3.010 -3.291 -3.609 -4.149 -4.284 -4.424 -4.572 -4.729 -4.900 -5.089 -5.305 -5.554 -5.843 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.070 -1.075 -1.146 -1.254 -1.386 -1.535 -1.699 -1.877 -2.069 -2.275 -2.495 -2.730 -2.981 -3.251 -3.550 -4.095 -4.225 -4.360 -4.501 -4.649 -4.805 -4.974 -5.157 -5.361 -5.588 -5.841 -6.119 99999.999 99999.999 99999.999 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-4.266 -4.391 -4.520 -4.653 -4.791 -4.934 -5.083 -5.237 -5.397 -5.562 -5.733 -5.908 -6.087 -6.266 -6.444 99999.999 99999.999 99999.999 -1.059 -1.064 -1.133 -1.238 -1.366 -1.510 -1.668 -1.838 -2.019 -2.213 -2.418 -2.634 -2.861 -3.097 -3.344 -3.870 -3.983 -4.098 -4.216 -4.337 -4.462 -4.590 -4.723 -4.859 -5.000 -5.145 -5.295 -5.448 -5.606 -5.767 -5.931 -6.095 -6.258 -6.419 99999.999 99999.999 -1.057 -1.062 -1.131 -1.235 -1.362 -1.505 -1.662 -1.830 -2.010 -2.202 -2.405 -2.618 -2.841 -3.073 -3.315 -3.832 -3.941 -4.054 -4.168 -4.286 -4.407 -4.531 -4.659 -4.790 -4.924 -5.063 -5.204 -5.350 -5.498 -5.648 -5.800 -5.953 -6.106 -6.256 -6.403 -6.545 -1.055 -1.060 -1.129 -1.233 -1.359 -1.501 -1.656 -1.823 -2.002 -2.191 -2.391 -2.602 -2.821 -3.050 -3.288 -3.795 -3.902 -4.011 -4.124 -4.238 -4.356 -4.476 -4.599 -4.726 -4.855 -4.988 -5.123 -5.261 -5.402 -5.545 -5.688 -5.833 -5.976 -6.119 -6.258 -6.393 -1.048 -1.047 -1.111 -1.209 -1.328 -1.461 -1.606 -1.761 -1.924 -2.096 -2.276 -2.463 -2.657 -2.857 -3.063 -3.493 -3.583 -3.673 -3.765 -3.858 -3.952 -4.047 -4.144 -4.243 -4.343 -4.444 -4.546 -4.650 -4.755 -4.861 -4.968 -5.075 -5.183 -5.291 -5.398 -5.506 -1.054 -1.044 -1.101 -1.192 -1.304 -1.430 -1.567 -1.711 -1.863 -2.021 -2.185 -2.354 -2.529 -2.709 -2.892 -3.271 -3.349 -3.427 -3.506 -3.586 -3.667 -3.749 -3.831 -3.914 -3.999 -4.084 -4.170 -4.257 -4.344 -4.433 -4.522 -4.612 -4.703 -4.794 -4.886 -4.978 -1.070 -1.047 -1.096 -1.180 -1.286 -1.405 -1.534 -1.670 -1.812 -1.959 -2.111 -2.266 -2.426 -2.589 -2.755 -3.096 -3.165 -3.235 -3.306 -3.376 -3.448 -3.520 -3.592 -3.665 -3.739 -3.813 -3.888 -3.964 -4.040 -4.117 -4.195 -4.273 -4.352 -4.431 -4.511 -4.592 -1.094 -1.056 -1.096 -1.174 -1.273 -1.386 -1.508 -1.637 -1.770 -1.908 -2.049 -2.193 -2.341 -2.490 -2.643 -2.953 -3.016 -3.079 -3.143 -3.207 -3.271 -3.336 -3.401 -3.466 -3.532 -3.599 -3.665 -3.733 -3.801 -3.869 -3.938 -4.007 -4.077 -4.148 -4.219 -4.290 -1.125 -1.070 -1.100 -1.171 -1.264 -1.370 -1.486 -1.609 -1.735 -1.865 -1.997 -2.132 -2.269 -2.408 -2.548 -2.833 -2.891 -2.949 -3.007 -3.066 -3.124 -3.183 -3.242 -3.302 -3.362 -3.422 -3.483 -3.544 -3.605 -3.667 -3.729 -3.792 -3.855 -3.919 -3.983 -4.047 -1.160 -1.087 -1.108 -1.171 -1.258 -1.359 -1.469 -1.585 -1.705 -1.828 -1.953 -2.080 -2.208 -2.337 -2.467 -2.732 -2.785 -2.838 -2.892 -2.946 -3.000 -3.054 -3.109 -3.163 -3.218 -3.274 -3.329 -3.385 -3.441 -3.498 -3.555 -3.612 -3.670 -3.728 -3.787 -3.846 -1.200 -1.107 -1.118 -1.174 -1.255 -1.350 -1.455 -1.565 -1.680 -1.797 -1.915 -2.035 -2.155 -2.276 -2.398 -2.644 -2.694 -2.744 -2.793 -2.843 -2.893 -2.944 -2.994 -3.045 -3.096 -3.147 -3.199 -3.250 -3.302 -3.354 -3.407 -3.460 -3.513 -3.567 -3.621 -3.676 99999.999 -1.130 -1.131 -1.180 -1.254 -1.344 -1.443 -1.549 -1.658 -1.769 -1.882 -1.995 -2.109 -2.223 -2.338 -2.568 -2.615 -2.661 -2.708 -2.754 -2.801 -2.848 -2.895 -2.942 -2.990 -3.038 -3.086 -3.134 -3.182 -3.231 -3.280 -3.329 -3.379 -3.429 -3.480 -3.531 NiOH+ NiOH(+) P-T:All Charge = 1. Radius(Å) = 3.97 Alk. = 0.000 Ref: Shock07 3 -1.000 1 1.000 2 1.000 26 11.687 10.803 10.018 9.325 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.687 10.803 10.018 9.325 8.709 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.686 10.803 10.018 9.325 8.709 8.157 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.686 10.802 10.018 9.325 8.709 8.157 7.658 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.685 10.802 10.017 9.324 8.708 8.156 7.657 7.202 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.684 10.801 10.016 9.323 8.707 8.156 7.657 7.202 6.783 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.682 10.799 10.015 9.322 8.706 8.155 7.656 7.201 6.782 6.393 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.680 10.797 10.013 9.320 8.705 8.153 7.655 7.200 6.782 6.393 6.026 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.676 10.794 10.010 9.318 8.703 8.151 7.653 7.199 6.781 6.392 6.027 5.677 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.671 10.789 10.006 9.314 8.700 8.149 7.651 7.197 6.780 6.392 6.027 5.679 5.343 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.665 10.784 10.002 9.310 8.696 8.145 7.648 7.195 6.778 6.391 6.027 5.681 5.348 5.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.657 10.777 9.995 9.304 8.691 8.141 7.644 7.192 6.776 6.390 6.028 5.684 5.354 5.034 4.748 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.650 10.771 9.990 9.300 8.686 8.137 7.641 7.189 6.774 6.389 6.028 5.686 5.358 5.040 4.728 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.641 10.763 9.983 9.293 8.681 8.132 7.637 7.185 6.771 6.387 6.028 5.689 5.364 5.050 4.730 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.632 10.755 9.976 9.287 8.675 8.127 7.632 7.182 6.768 6.385 6.028 5.691 5.370 5.060 4.744 5.373 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.622 10.747 9.968 9.280 8.669 8.122 7.628 7.178 6.765 6.383 6.027 5.692 5.375 5.070 4.760 4.756 4.961 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.613 10.739 9.961 9.274 8.663 8.116 7.623 7.174 6.762 6.381 6.026 5.694 5.379 5.079 4.777 4.601 4.637 4.745 4.919 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.604 10.730 9.954 9.267 8.657 8.111 7.618 7.170 6.759 6.379 6.025 5.694 5.383 5.087 4.794 4.529 4.511 4.528 4.587 4.683 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.594 10.722 9.946 9.260 8.651 8.105 7.613 7.166 6.755 6.376 6.024 5.695 5.386 5.093 4.808 4.488 4.446 4.423 4.425 4.455 4.508 4.567 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.585 10.714 9.939 9.254 8.645 8.100 7.609 7.162 6.752 6.374 6.023 5.695 5.388 5.099 4.821 4.462 4.406 4.363 4.336 4.327 4.337 4.363 4.396 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.575 10.706 9.931 9.247 8.639 8.094 7.604 7.157 6.749 6.371 6.021 5.695 5.390 5.104 4.831 4.444 4.379 4.324 4.280 4.249 4.233 4.229 4.237 4.251 4.265 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.566 10.697 9.924 9.240 8.632 8.089 7.599 7.153 6.745 6.369 6.019 5.694 5.391 5.107 4.839 4.430 4.360 4.298 4.244 4.199 4.165 4.141 4.129 4.124 4.125 4.128 4.128 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.556 10.689 9.916 9.233 8.626 8.083 7.594 7.149 6.741 6.366 6.017 5.693 5.391 5.110 4.845 4.420 4.347 4.279 4.218 4.164 4.118 4.081 4.053 4.033 4.020 4.012 4.006 4.000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.546 10.680 9.909 9.226 8.620 8.078 7.589 7.144 6.738 6.363 6.015 5.692 5.391 5.111 4.850 4.413 4.336 4.265 4.199 4.139 4.085 4.038 3.999 3.967 3.942 3.923 3.908 3.896 3.885 3.876 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.537 10.672 9.901 9.219 8.614 8.072 7.584 7.140 6.734 6.360 6.013 5.691 5.391 5.112 4.852 4.407 4.328 4.254 4.184 4.120 4.061 4.007 3.960 3.919 3.884 3.855 3.831 3.811 3.794 3.780 3.768 99999.999 99999.999 99999.999 99999.999 99999.999 11.527 10.663 9.893 9.212 8.607 8.066 7.578 7.135 6.730 6.356 6.011 5.689 5.390 5.112 4.853 4.402 4.322 4.245 4.173 4.105 4.042 3.984 3.931 3.883 3.840 3.803 3.771 3.744 3.720 3.700 3.682 3.667 3.655 99999.999 99999.999 99999.999 11.518 10.655 9.886 9.205 8.601 8.060 7.573 7.131 6.726 6.353 6.008 5.687 5.389 5.111 4.853 4.398 4.317 4.239 4.164 4.094 4.028 3.966 3.908 3.855 3.807 3.763 3.724 3.690 3.660 3.633 3.610 3.591 3.573 3.559 99999.999 99999.999 11.508 10.646 9.878 9.198 8.595 8.055 7.568 7.126 6.722 6.350 6.005 5.685 5.387 5.110 4.853 4.395 4.312 4.233 4.158 4.085 4.016 3.951 3.890 3.833 3.781 3.732 3.688 3.648 3.612 3.579 3.551 3.526 3.504 3.485 3.469 3.456 11.498 10.638 9.870 9.191 8.588 8.049 7.563 7.121 6.718 6.346 6.003 5.683 5.386 5.109 4.851 4.392 4.309 4.229 4.152 4.078 4.007 3.940 3.877 3.816 3.760 3.707 3.659 3.614 3.573 3.536 3.502 3.472 3.445 3.421 3.400 3.382 11.399 10.551 9.792 9.120 8.523 7.989 7.508 7.073 6.675 6.309 5.971 5.658 5.366 5.093 4.838 4.376 4.291 4.207 4.126 4.047 3.970 3.895 3.822 3.750 3.681 3.613 3.548 3.484 3.422 3.361 3.303 3.246 3.192 3.139 3.088 3.039 11.299 10.463 9.712 9.047 8.456 7.927 7.451 7.021 6.628 6.267 5.935 5.626 5.339 5.071 4.820 4.364 4.279 4.196 4.115 4.036 3.958 3.882 3.808 3.736 3.665 3.595 3.527 3.460 3.395 3.330 3.267 3.206 3.145 3.085 3.027 2.970 11.198 10.373 9.631 8.973 8.387 7.864 7.393 6.967 6.578 6.223 5.895 5.591 5.309 5.045 4.798 4.348 4.264 4.183 4.103 4.024 3.948 3.873 3.799 3.727 3.657 3.587 3.519 3.453 3.387 3.323 3.259 3.197 3.136 3.075 3.016 2.957 11.095 10.283 9.550 8.898 8.318 7.799 7.333 6.911 6.527 6.176 5.852 5.553 5.274 5.015 4.772 4.329 4.247 4.166 4.087 4.010 3.935 3.861 3.789 3.718 3.648 3.580 3.512 3.447 3.382 3.318 3.255 3.194 3.133 3.073 3.014 2.956 10.992 10.193 9.468 8.822 8.248 7.734 7.273 6.855 6.475 6.127 5.808 5.512 5.238 4.982 4.743 4.307 4.226 4.146 4.069 3.993 3.919 3.846 3.775 3.705 3.636 3.569 3.503 3.438 3.374 3.312 3.250 3.189 3.129 3.070 3.012 2.955 10.889 10.102 9.385 8.747 8.178 7.669 7.212 6.798 6.422 6.078 5.762 5.470 5.199 4.947 4.711 4.282 4.202 4.124 4.048 3.973 3.900 3.828 3.758 3.689 3.622 3.556 3.491 3.427 3.364 3.302 3.242 3.182 3.123 3.065 3.008 2.952 10.786 10.012 9.303 8.671 8.107 7.603 7.150 6.740 6.368 6.027 5.715 5.426 5.159 4.910 4.678 4.254 4.176 4.099 4.024 3.950 3.878 3.808 3.739 3.671 3.604 3.539 3.475 3.413 3.351 3.290 3.231 3.172 3.114 3.057 3.001 2.945 99999.999 9.921 9.221 8.595 8.037 7.537 7.089 6.683 6.314 5.977 5.667 5.382 5.118 4.872 4.642 4.225 4.148 4.072 3.998 3.925 3.854 3.785 3.717 3.650 3.585 3.521 3.458 3.396 3.335 3.275 3.217 3.159 3.102 3.046 2.991 2.936 NiO2-2 NiO2(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 4.000 Ref: Shock07 3 -4.000 1 1.000 26 2.000 2 47.271 44.036 41.360 39.120 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.271 44.036 41.360 39.120 37.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.270 44.035 41.359 39.120 37.229 35.623 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.268 44.033 41.358 39.118 37.228 35.622 34.254 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.266 44.031 41.355 39.116 37.225 35.620 34.252 33.086 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.261 44.027 41.352 39.112 37.222 35.616 34.248 33.082 32.093 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.255 44.021 41.346 39.107 37.216 35.610 34.242 33.076 32.086 31.257 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.246 44.013 41.338 39.099 37.208 35.602 34.233 33.066 32.076 31.245 30.569 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.233 44.001 41.327 39.088 37.198 35.591 34.222 33.054 32.062 31.229 30.549 30.028 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.216 43.986 41.312 39.074 37.183 35.577 34.206 33.037 32.043 31.208 30.522 29.992 29.644 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.194 43.966 41.293 39.055 37.165 35.558 34.186 33.016 32.020 31.180 30.488 29.947 29.578 29.456 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.165 43.939 41.268 39.031 37.141 35.533 34.161 32.988 31.989 31.145 30.446 29.892 29.498 29.318 29.607 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.143 43.919 41.249 39.012 37.122 35.514 34.141 32.967 31.966 31.118 30.414 29.851 29.441 29.225 29.371 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.111 43.890 41.222 38.986 37.095 35.487 34.113 32.937 31.933 31.081 30.370 29.795 29.363 29.105 29.131 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.080 43.861 41.194 38.959 37.069 35.460 34.085 32.907 31.900 31.044 30.326 29.741 29.292 28.999 28.942 30.995 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.048 43.832 41.167 38.932 37.042 35.433 34.057 32.878 31.868 31.009 30.285 29.690 29.224 28.903 28.784 29.267 30.063 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.017 43.804 41.139 38.906 37.016 35.407 34.030 32.849 31.837 30.974 30.244 29.641 29.161 28.816 28.647 28.754 29.077 29.639 30.554 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.985 43.775 41.112 38.879 36.990 35.380 34.002 32.820 31.806 30.939 30.205 29.594 29.102 28.735 28.525 28.451 28.624 28.906 29.347 29.994 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.954 43.746 41.085 38.853 36.964 35.354 33.975 32.792 31.776 30.906 30.167 29.548 29.045 28.660 28.416 28.233 28.331 28.496 28.747 29.112 29.613 30.252 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.923 43.718 41.058 38.827 36.938 35.328 33.949 32.764 31.746 30.873 30.129 29.504 28.991 28.591 28.318 28.060 28.113 28.213 28.369 28.596 28.908 29.315 29.818 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.892 43.689 41.031 38.801 36.912 35.302 33.922 32.736 31.716 30.840 30.093 29.462 28.940 28.526 28.228 27.915 27.938 27.996 28.096 28.244 28.451 28.723 29.065 29.476 29.945 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.861 43.661 41.004 38.775 36.887 35.276 33.896 32.708 31.687 30.808 30.057 29.421 28.891 28.465 28.147 27.789 27.790 27.819 27.881 27.979 28.121 28.309 28.550 28.844 29.189 29.577 29.996 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.830 43.633 40.978 38.749 36.861 35.251 33.869 32.681 31.658 30.777 30.023 29.381 28.845 28.407 28.072 27.677 27.661 27.669 27.703 27.767 27.864 27.998 28.171 28.386 28.642 28.937 29.264 29.616 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.799 43.604 40.951 38.723 36.836 35.225 33.843 32.654 31.629 30.746 29.988 29.343 28.800 28.353 28.003 27.576 27.546 27.538 27.551 27.590 27.655 27.750 27.876 28.036 28.229 28.455 28.710 28.991 29.290 29.600 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.769 43.576 40.924 38.697 36.810 35.200 33.818 32.627 31.601 30.716 29.955 29.305 28.756 28.302 27.940 27.484 27.443 27.420 27.418 27.437 27.478 27.544 27.636 27.755 27.902 28.077 28.278 28.501 28.744 29.002 29.268 99999.999 99999.999 99999.999 99999.999 99999.999 46.738 43.548 40.898 38.672 36.785 35.174 33.792 32.601 31.573 30.686 29.922 29.269 28.715 28.253 27.881 27.398 27.348 27.314 27.299 27.302 27.324 27.368 27.434 27.523 27.635 27.771 27.929 28.109 28.306 28.519 28.742 28.972 29.204 99999.999 99999.999 99999.999 46.708 43.520 40.871 38.646 36.760 35.149 33.766 32.574 31.545 30.656 29.890 29.233 28.675 28.207 27.826 27.318 27.260 27.217 27.191 27.181 27.188 27.214 27.260 27.325 27.410 27.516 27.641 27.785 27.946 28.122 28.309 28.505 28.705 28.907 99999.999 99999.999 46.678 43.492 40.845 38.621 36.735 35.124 33.741 32.548 31.518 30.627 29.858 29.198 28.635 28.162 27.773 27.244 27.178 27.127 27.091 27.071 27.066 27.077 27.106 27.152 27.216 27.298 27.397 27.513 27.644 27.789 27.946 28.112 28.284 28.460 28.636 28.811 46.647 43.464 40.818 38.595 36.710 35.099 33.716 32.522 31.490 30.598 29.827 29.164 28.597 28.119 27.724 27.173 27.101 27.044 27.000 26.970 26.954 26.954 26.969 26.999 27.046 27.108 27.186 27.279 27.386 27.506 27.637 27.778 27.925 28.078 28.233 28.388 46.351 43.190 40.559 38.345 36.465 34.857 33.471 32.272 31.231 30.325 29.536 28.850 28.254 27.739 27.297 26.611 26.503 26.405 26.316 26.236 26.165 26.103 26.050 26.005 25.969 25.941 25.921 25.909 25.905 25.908 25.918 25.934 25.957 25.986 26.020 26.059 46.062 42.922 40.306 38.102 36.229 34.623 33.238 32.037 30.990 30.075 29.275 28.573 27.958 27.421 26.952 26.194 26.068 25.951 25.841 25.739 25.645 25.558 25.477 25.404 25.337 25.277 25.223 25.175 25.133 25.097 25.066 25.041 25.021 25.005 24.994 24.988 45.781 42.661 40.058 37.865 35.998 34.397 33.014 31.812 30.762 29.842 29.034 28.322 27.694 27.141 26.653 25.850 25.713 25.585 25.463 25.348 25.240 25.139 25.043 24.954 24.871 24.793 24.722 24.655 24.594 24.537 24.486 24.439 24.397 24.359 24.325 24.296 45.505 42.404 39.816 37.633 35.774 34.177 32.797 31.596 30.545 29.621 28.808 28.088 27.452 26.887 26.387 25.552 25.408 25.271 25.141 25.018 24.901 24.790 24.685 24.586 24.493 24.404 24.321 24.243 24.169 24.101 24.037 23.977 23.921 23.870 23.822 23.778 45.233 42.152 39.578 37.405 35.554 33.963 32.586 31.387 30.336 29.411 28.594 27.869 27.226 26.654 26.144 25.285 25.136 24.994 24.858 24.729 24.606 24.488 24.377 24.270 24.169 24.074 23.983 23.896 23.815 23.738 23.665 23.596 23.532 23.471 23.414 23.361 44.966 41.904 39.344 37.182 35.339 33.754 32.381 31.184 30.134 29.208 28.389 27.662 27.014 26.436 25.919 25.043 24.889 24.743 24.603 24.469 24.341 24.219 24.102 23.991 23.885 23.783 23.687 23.595 23.507 23.424 23.345 23.270 23.200 23.132 23.069 23.009 44.702 41.659 39.113 36.962 35.127 33.549 32.181 30.986 29.938 29.013 28.193 27.463 26.812 26.230 25.708 24.818 24.662 24.512 24.369 24.232 24.100 23.974 23.854 23.739 23.628 23.523 23.422 23.326 23.234 23.146 23.063 22.983 22.908 22.836 22.767 22.702 99999.999 41.417 38.886 36.746 34.920 33.348 31.984 30.794 29.747 28.823 28.003 27.273 26.619 26.034 25.508 24.608 24.450 24.298 24.152 24.012 23.878 23.749 23.626 23.507 23.394 23.285 23.181 23.082 22.987 22.896 22.809 22.725 22.646 22.571 22.498 22.430 HNiO2- HNiO2(-1) P-T:All Charge =-1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 3 -3.000 1 1.000 26 2.000 2 33.039 31.003 29.244 27.723 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.039 31.003 29.244 27.723 26.400 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.039 31.002 29.244 27.723 26.399 25.241 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.037 31.001 29.242 27.721 26.398 25.240 24.221 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.035 30.998 29.240 27.719 26.396 25.238 24.219 23.319 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.031 30.995 29.237 27.716 26.393 25.235 24.216 23.316 22.519 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.024 30.989 29.232 27.711 26.388 25.230 24.211 23.311 22.514 21.810 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.016 30.981 29.224 27.704 26.382 25.224 24.205 23.304 22.507 21.802 21.183 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.004 30.971 29.214 27.695 26.372 25.214 24.195 23.295 22.498 21.792 21.171 20.634 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.988 30.956 29.201 27.682 26.360 25.202 24.183 23.283 22.485 21.778 21.156 20.616 20.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.967 30.937 29.183 27.665 26.343 25.186 24.167 23.267 22.468 21.761 21.136 20.593 20.135 19.792 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.940 30.912 29.160 27.643 26.322 25.166 24.147 23.246 22.447 21.738 21.112 20.564 20.097 19.731 19.572 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.919 30.893 29.142 27.626 26.306 25.150 24.131 23.230 22.430 21.721 21.093 20.542 20.069 19.690 19.466 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.889 30.866 29.116 27.602 26.282 25.127 24.108 23.207 22.407 21.696 21.066 20.511 20.032 19.637 19.363 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.859 30.838 29.091 27.577 26.259 25.104 24.086 23.184 22.384 21.672 21.040 20.482 19.996 19.589 19.284 19.858 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.829 30.811 29.065 27.553 26.236 25.081 24.063 23.162 22.361 21.648 21.014 20.453 19.963 19.546 19.218 19.067 19.347 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.799 30.784 29.040 27.529 26.212 25.058 24.041 23.139 22.338 21.624 20.989 20.425 19.930 19.505 19.161 18.815 18.884 19.057 19.358 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.769 30.757 29.014 27.505 26.189 25.036 24.018 23.117 22.315 21.601 20.964 20.398 19.899 19.467 19.109 18.666 18.664 18.713 18.830 19.024 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.739 30.729 28.989 27.481 26.166 25.013 23.996 23.095 22.293 21.578 20.939 20.371 19.869 19.431 19.062 18.558 18.520 18.514 18.549 18.631 18.765 18.941 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.710 30.702 28.963 27.456 26.143 24.991 23.974 23.073 22.270 21.555 20.915 20.345 19.840 19.397 19.019 18.472 18.413 18.377 18.367 18.390 18.449 18.544 18.670 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.680 30.675 28.938 27.432 26.120 24.968 23.952 23.051 22.248 21.532 20.891 20.320 19.811 19.364 18.978 18.400 18.326 18.270 18.235 18.223 18.236 18.278 18.347 18.438 18.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.650 30.648 28.913 27.408 26.097 24.946 23.930 23.029 22.226 21.509 20.868 20.295 19.784 19.332 18.940 18.337 18.253 18.184 18.130 18.095 18.080 18.086 18.114 18.163 18.230 18.310 18.396 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.621 30.621 28.888 27.385 26.074 24.924 23.908 23.007 22.204 21.487 20.845 20.270 19.757 19.302 18.904 18.281 18.189 18.109 18.043 17.992 17.957 17.939 17.939 17.957 17.991 18.039 18.097 18.161 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.591 30.594 28.862 27.361 26.051 24.901 23.886 22.985 22.183 21.465 20.822 20.246 19.731 19.273 18.870 18.230 18.131 18.044 17.969 17.906 17.856 17.821 17.800 17.795 17.804 17.827 17.860 17.902 17.949 17.997 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.562 30.567 28.837 27.337 26.028 24.879 23.865 22.964 22.161 21.443 20.799 20.222 19.705 19.244 18.837 18.183 18.079 17.986 17.903 17.830 17.770 17.722 17.686 17.664 17.654 17.656 17.669 17.691 17.719 17.752 17.787 99999.999 99999.999 99999.999 99999.999 99999.999 32.533 30.540 28.812 27.313 26.005 24.857 23.843 22.942 22.139 21.421 20.776 20.198 19.680 19.216 18.806 18.139 18.031 17.932 17.843 17.764 17.695 17.637 17.589 17.553 17.529 17.515 17.511 17.516 17.528 17.546 17.568 17.592 17.615 99999.999 99999.999 99999.999 32.503 30.513 28.787 27.289 25.982 24.835 23.821 22.921 22.118 21.399 20.754 20.175 19.655 19.190 18.776 18.097 17.986 17.883 17.789 17.704 17.628 17.562 17.505 17.459 17.422 17.395 17.378 17.369 17.367 17.372 17.382 17.394 17.408 17.422 99999.999 99999.999 32.474 30.487 28.762 27.266 25.960 24.813 23.800 22.900 22.097 21.378 20.732 20.152 19.631 19.163 18.746 18.058 17.944 17.837 17.739 17.649 17.568 17.495 17.431 17.376 17.330 17.293 17.264 17.243 17.230 17.223 17.221 17.223 17.228 17.234 17.241 17.246 32.445 30.460 28.737 27.242 25.937 24.791 23.778 22.879 22.076 21.356 20.710 20.129 19.607 19.137 18.718 18.021 17.904 17.794 17.693 17.598 17.512 17.434 17.364 17.302 17.248 17.202 17.165 17.134 17.111 17.094 17.082 17.075 17.071 17.069 17.069 17.068 32.156 30.195 28.489 27.007 25.713 24.574 23.567 22.671 21.869 21.149 20.500 19.913 19.382 18.901 18.465 17.713 17.581 17.454 17.333 17.218 17.107 17.002 16.902 16.807 16.716 16.631 16.550 16.474 16.402 16.335 16.271 16.212 16.156 16.104 16.054 16.008 31.871 29.933 28.245 26.777 25.492 24.362 23.361 22.469 21.670 20.951 20.301 19.712 19.177 18.690 18.245 17.469 17.330 17.196 17.067 16.942 16.822 16.707 16.596 16.489 16.386 16.287 16.192 16.101 16.013 15.929 15.848 15.770 15.695 15.624 15.555 15.489 31.591 29.676 28.004 26.549 25.276 24.154 23.159 22.272 21.477 20.760 20.112 19.522 18.985 18.495 18.045 17.255 17.112 16.974 16.841 16.712 16.587 16.467 16.350 16.237 16.128 16.023 15.921 15.822 15.727 15.634 15.545 15.459 15.375 15.294 15.216 15.140 31.315 29.421 27.767 26.325 25.062 23.949 22.962 22.080 21.289 20.575 19.928 19.340 18.803 18.311 17.859 17.061 16.916 16.776 16.640 16.508 16.381 16.257 16.137 16.021 15.908 15.799 15.693 15.590 15.490 15.393 15.299 15.208 15.119 15.034 14.950 14.869 31.042 29.170 27.532 26.104 24.852 23.748 22.768 21.892 21.105 20.395 19.751 19.164 18.627 18.135 17.683 16.880 16.734 16.592 16.455 16.322 16.192 16.067 15.945 15.827 15.712 15.600 15.491 15.386 15.283 15.184 15.087 14.993 14.901 14.812 14.725 14.641 30.771 28.922 27.301 25.885 24.644 23.549 22.576 21.707 20.925 20.219 19.578 18.993 18.458 17.967 17.514 16.709 16.563 16.420 16.282 16.148 16.017 15.891 15.767 15.648 15.531 15.418 15.308 15.201 15.096 14.995 14.896 14.800 14.707 14.615 14.527 14.440 30.503 28.676 27.071 25.669 24.439 23.353 22.388 21.525 20.748 20.046 19.409 18.827 18.294 17.803 17.352 16.547 16.400 16.257 16.118 15.983 15.852 15.725 15.601 15.480 15.363 15.249 15.138 15.029 14.924 14.821 14.721 14.624 14.529 14.437 14.346 14.259 99999.999 28.432 26.844 25.456 24.237 23.160 22.202 21.345 20.574 19.877 19.243 18.664 18.133 17.645 17.194 16.390 16.243 16.100 15.961 15.826 15.695 15.567 15.443 15.322 15.204 15.089 14.977 14.869 14.763 14.659 14.558 14.460 14.365 14.271 14.180 14.091 O2,aq O2(0) P-T:All Charge = 0. Radius(Å) = 9.99 Alk. = 0.000 Ref: Shock07 3 0.500 1 -0.500 6 0.500 4 76.049 69.158 63.220 58.057 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.049 69.158 63.220 58.057 53.524 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.050 69.159 63.220 58.058 53.525 49.509 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.052 69.161 63.222 58.059 53.526 49.510 45.921 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.054 69.163 63.224 58.061 53.529 49.512 45.923 42.688 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.058 69.167 63.228 58.065 53.532 49.516 45.926 42.692 39.755 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.065 69.173 63.233 58.070 53.537 49.521 45.931 42.697 39.760 37.072 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.073 69.181 63.242 58.078 53.545 49.528 45.938 42.704 39.768 37.080 34.598 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.086 69.193 63.253 58.088 53.555 49.538 45.948 42.714 39.778 37.092 34.612 32.296 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.102 69.209 63.267 58.103 53.569 49.551 45.962 42.728 39.792 37.107 34.629 32.318 30.127 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.123 69.229 63.287 58.121 53.586 49.569 45.979 42.745 39.810 37.126 34.651 32.345 30.165 28.041 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.151 69.255 63.312 58.145 53.609 49.591 46.001 42.768 39.834 37.151 34.679 32.379 30.211 28.119 25.934 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.172 69.276 63.331 58.163 53.627 49.608 46.018 42.785 39.851 37.170 34.700 32.404 30.244 28.171 26.070 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.203 69.305 63.358 58.189 53.652 49.633 46.042 42.809 39.876 37.197 34.729 32.439 30.289 28.238 26.204 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.234 69.333 63.386 58.215 53.677 49.657 46.066 42.833 39.901 37.223 34.758 32.472 30.331 28.297 26.307 21.337 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.264 69.362 63.413 58.241 53.702 49.681 46.090 42.857 39.926 37.248 34.786 32.504 30.371 28.351 26.393 22.410 21.251 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.294 69.391 63.440 58.267 53.727 49.705 46.114 42.881 39.950 37.273 34.813 32.535 30.408 28.400 26.468 22.723 21.856 20.863 19.683 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.324 69.419 63.467 58.292 53.751 49.729 46.137 42.904 39.973 37.298 34.840 32.565 30.444 28.446 26.534 22.903 22.130 21.308 20.409 19.408 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.354 69.447 63.493 58.318 53.775 49.753 46.160 42.927 39.997 37.323 34.866 32.594 30.478 28.489 26.593 23.032 22.304 21.554 20.770 19.935 19.039 18.082 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.384 69.476 63.520 58.343 53.799 49.776 46.183 42.950 40.020 37.346 34.891 32.622 30.510 28.529 26.647 23.133 22.431 21.721 20.994 20.243 19.458 18.633 17.771 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.414 69.504 63.546 58.368 53.823 49.799 46.206 42.973 40.043 37.370 34.916 32.650 30.541 28.566 26.697 23.217 22.533 21.848 21.155 20.451 19.728 18.983 18.213 17.419 16.608 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.444 69.531 63.572 58.393 53.847 49.822 46.228 42.995 40.065 37.393 34.941 32.676 30.571 28.602 26.742 23.289 22.619 21.950 21.280 20.605 19.922 19.226 18.515 17.788 17.047 16.295 15.540 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.474 69.559 63.598 58.417 53.871 49.845 46.251 43.017 40.088 37.416 34.965 32.702 30.600 28.636 26.784 23.353 22.693 22.037 21.383 20.728 20.071 19.407 18.736 18.055 17.364 16.665 15.961 15.257 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.504 69.587 63.624 58.442 53.894 49.868 46.273 43.039 40.110 37.439 34.988 32.727 30.628 28.668 26.823 23.411 22.758 22.112 21.470 20.830 20.191 19.551 18.907 18.258 17.604 16.944 16.281 15.616 14.953 14.296 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.533 69.614 63.650 58.466 53.918 49.890 46.295 43.061 40.132 37.461 35.012 32.752 30.655 28.699 26.860 23.464 22.817 22.178 21.546 20.918 20.293 19.669 19.045 18.420 17.792 17.162 16.530 15.897 15.266 14.638 14.016 99999.999 99999.999 99999.999 99999.999 99999.999 76.563 69.642 63.676 58.491 53.941 49.913 46.317 43.082 40.153 37.483 35.035 32.776 30.682 28.728 26.894 23.513 22.871 22.239 21.614 20.995 20.380 19.769 19.161 18.553 17.946 17.338 16.730 16.123 15.517 14.914 14.316 13.725 13.143 99999.999 99999.999 99999.999 76.592 69.669 63.701 58.515 53.964 49.935 46.338 43.104 40.175 37.505 35.057 32.800 30.707 28.756 26.927 23.558 22.921 22.294 21.675 21.063 20.458 19.857 19.260 18.666 18.074 17.484 16.895 16.308 15.723 15.141 14.564 13.992 13.428 12.873 99999.999 99999.999 76.621 69.696 63.727 58.539 53.987 49.957 46.360 43.125 40.196 37.526 35.079 32.823 30.732 28.784 26.958 23.601 22.968 22.345 21.731 21.125 20.527 19.934 19.347 18.764 18.185 17.608 17.034 16.463 15.895 15.331 14.770 14.216 13.667 13.127 12.595 12.074 76.650 69.723 63.752 58.563 54.010 49.979 46.381 43.146 40.217 37.548 35.101 32.846 30.757 28.810 26.987 23.641 23.011 22.392 21.783 21.182 20.590 20.004 19.424 18.850 18.281 17.716 17.154 16.596 16.042 15.492 14.946 14.406 13.871 13.344 12.824 12.314 76.939 69.989 64.000 58.796 54.232 50.192 46.588 43.349 40.418 37.750 35.307 33.059 30.980 29.048 27.245 23.964 23.353 22.755 22.169 21.595 21.032 20.480 19.937 19.405 18.881 18.366 17.859 17.360 16.869 16.385 15.908 15.437 14.974 14.517 14.066 13.622 77.221 70.247 64.239 59.020 54.444 50.395 46.784 43.539 40.605 37.936 35.494 33.249 31.175 29.251 27.458 24.208 23.605 23.016 22.440 21.876 21.325 20.785 20.256 19.738 19.229 18.731 18.242 17.762 17.290 16.827 16.371 15.924 15.483 15.050 14.624 14.205 77.498 70.498 64.471 59.237 54.649 50.590 46.971 43.721 40.783 38.111 35.669 33.424 31.353 29.433 27.646 24.413 23.814 23.230 22.659 22.101 21.555 21.022 20.500 19.989 19.488 18.998 18.518 18.046 17.584 17.131 16.686 16.249 15.819 15.398 14.983 14.576 77.771 70.744 64.697 59.448 54.847 50.778 47.152 43.895 40.953 38.278 35.833 33.588 31.517 29.599 27.816 24.593 23.997 23.415 22.847 22.293 21.751 21.221 20.704 20.197 19.701 19.215 18.740 18.274 17.817 17.369 16.930 16.499 16.076 15.661 15.253 14.852 78.041 70.986 64.919 59.654 55.041 50.962 47.327 44.064 41.116 38.437 35.990 33.744 31.673 29.755 27.973 24.757 24.162 23.582 23.016 22.464 21.924 21.397 20.882 20.378 19.885 19.402 18.930 18.467 18.014 17.569 17.134 16.707 16.287 15.876 15.472 15.076 78.309 71.224 65.136 59.856 55.230 51.141 47.497 44.227 41.274 38.591 36.141 33.893 31.820 29.902 28.121 24.908 24.314 23.736 23.171 22.620 22.082 21.556 21.042 20.540 20.049 19.568 19.098 18.637 18.186 17.744 17.311 16.886 16.470 16.061 15.660 15.266 78.575 71.460 65.350 60.054 55.415 51.316 47.664 44.387 41.428 38.741 36.287 34.036 31.962 30.043 28.261 25.050 24.457 23.878 23.315 22.764 22.227 21.702 21.190 20.689 20.199 19.719 19.250 18.791 18.342 17.901 17.470 17.047 16.632 16.225 15.826 15.434 99999.999 71.692 65.562 60.249 55.597 51.488 47.827 44.543 41.578 38.886 36.428 34.174 32.098 30.178 28.395 25.184 24.591 24.013 23.450 22.900 22.363 21.839 21.327 20.827 20.338 19.859 19.391 18.933 18.484 18.045 17.614 17.192 16.779 16.373 15.975 15.584 OH- OH(-) P-T:All Charge =-1. Radius(Å) = 1.40 Alk. = 1.000 Ref: Shock07 2 -1.000 1 1.000 2 14.940 13.995 13.271 12.703 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.940 13.995 13.271 12.703 12.255 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.939 13.995 13.270 12.702 12.255 11.903 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.938 13.994 13.269 12.702 12.254 11.902 11.631 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.936 13.992 13.268 12.700 12.252 11.901 11.629 11.427 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.933 13.989 13.265 12.698 12.250 11.899 11.627 11.424 11.284 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.928 13.985 13.262 12.695 12.247 11.895 11.623 11.420 11.279 11.197 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.921 13.980 13.257 12.690 12.242 11.890 11.618 11.415 11.273 11.189 11.167 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.912 13.972 13.250 12.683 12.235 11.883 11.611 11.407 11.264 11.179 11.154 11.199 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.899 13.962 13.240 12.674 12.227 11.874 11.601 11.396 11.252 11.165 11.137 11.176 11.300 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.883 13.948 13.228 12.663 12.215 11.863 11.589 11.383 11.237 11.148 11.115 11.147 11.258 11.488 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.862 13.931 13.213 12.648 12.201 11.848 11.573 11.366 11.218 11.125 11.088 11.111 11.206 11.405 11.828 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.845 13.917 13.201 12.636 12.189 11.836 11.561 11.353 11.203 11.108 11.067 11.084 11.169 11.347 11.713 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.822 13.898 13.183 12.620 12.173 11.820 11.544 11.334 11.183 11.085 11.039 11.047 11.118 11.271 11.577 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.800 13.879 13.166 12.604 12.157 11.804 11.527 11.316 11.163 11.062 11.011 11.012 11.071 11.202 11.461 12.225 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.777 13.861 13.149 12.588 12.141 11.788 11.510 11.298 11.143 11.039 10.984 10.979 11.026 11.138 11.359 11.732 12.035 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.755 13.842 13.133 12.572 12.126 11.772 11.494 11.281 11.124 11.017 10.959 10.947 10.984 11.080 11.268 11.564 11.733 11.979 12.372 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.733 13.824 13.116 12.556 12.110 11.756 11.478 11.263 11.105 10.996 10.934 10.916 10.945 11.026 11.186 11.449 11.575 11.736 11.952 12.255 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.711 13.806 13.100 12.540 12.095 11.741 11.462 11.246 11.086 10.975 10.909 10.887 10.908 10.976 11.112 11.356 11.461 11.586 11.741 11.937 12.191 12.516 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.690 13.788 13.083 12.525 12.080 11.725 11.446 11.229 11.068 10.955 10.886 10.859 10.873 10.930 11.045 11.278 11.368 11.473 11.597 11.746 11.927 12.149 12.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.668 13.770 13.067 12.509 12.065 11.710 11.430 11.213 11.050 10.935 10.863 10.832 10.840 10.887 10.985 11.208 11.288 11.380 11.485 11.608 11.751 11.920 12.119 12.352 12.618 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.647 13.752 13.051 12.494 12.050 11.695 11.414 11.196 11.032 10.915 10.841 10.806 10.808 10.848 10.931 11.145 11.217 11.299 11.392 11.497 11.618 11.756 11.915 12.096 12.302 12.530 12.779 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.626 13.735 13.035 12.479 12.035 11.680 11.399 11.180 11.014 10.896 10.819 10.781 10.778 10.811 10.882 11.088 11.153 11.227 11.310 11.403 11.508 11.627 11.760 11.909 12.076 12.261 12.462 12.677 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.606 13.717 13.019 12.464 12.020 11.665 11.384 11.164 10.997 10.877 10.798 10.757 10.750 10.776 10.837 11.034 11.095 11.162 11.237 11.321 11.415 11.519 11.635 11.763 11.904 12.059 12.226 12.406 12.595 12.790 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.585 13.700 13.003 12.449 12.006 11.651 11.369 11.148 10.980 10.858 10.778 10.733 10.723 10.744 10.797 10.984 11.040 11.102 11.171 11.248 11.333 11.426 11.529 11.641 11.764 11.898 12.042 12.196 12.358 12.527 12.699 99999.999 99999.999 99999.999 99999.999 99999.999 14.565 13.683 12.988 12.434 11.991 11.636 11.354 11.133 10.964 10.840 10.757 10.711 10.697 10.713 10.760 10.937 10.989 11.047 11.111 11.181 11.259 11.344 11.436 11.537 11.647 11.765 11.892 12.027 12.169 12.316 12.468 12.622 12.775 99999.999 99999.999 99999.999 14.545 13.666 12.972 12.420 11.977 11.622 11.339 11.117 10.947 10.822 10.738 10.689 10.672 10.684 10.726 10.893 10.941 10.995 11.054 11.120 11.191 11.269 11.354 11.446 11.545 11.652 11.765 11.886 12.012 12.144 12.279 12.417 12.556 12.693 99999.999 99999.999 14.525 13.649 12.957 12.405 11.963 11.608 11.325 11.102 10.931 10.805 10.718 10.667 10.647 10.657 10.694 10.851 10.896 10.946 11.002 11.063 11.129 11.201 11.280 11.364 11.455 11.552 11.655 11.764 11.878 11.997 12.120 12.245 12.372 12.498 12.622 12.744 14.505 13.632 12.942 12.391 11.948 11.594 11.310 11.087 10.915 10.787 10.699 10.646 10.624 10.631 10.664 10.810 10.853 10.900 10.952 11.009 11.071 11.138 11.211 11.289 11.373 11.463 11.557 11.657 11.762 11.871 11.983 12.098 12.214 12.330 12.446 12.560 14.318 13.472 12.795 12.251 11.813 11.458 11.172 10.944 10.765 10.627 10.525 10.456 10.414 10.398 10.404 10.479 10.504 10.531 10.561 10.595 10.631 10.671 10.714 10.759 10.807 10.858 10.912 10.969 11.028 11.089 11.153 11.218 11.286 11.355 11.425 11.496 14.145 13.321 12.657 12.120 11.685 11.332 11.045 10.814 10.629 10.484 10.373 10.292 10.237 10.206 10.194 10.226 10.241 10.257 10.277 10.298 10.322 10.348 10.377 10.408 10.440 10.475 10.512 10.551 10.592 10.635 10.680 10.726 10.774 10.824 10.875 10.927 13.984 13.180 12.526 11.995 11.564 11.212 10.925 10.692 10.504 10.353 10.236 10.146 10.082 10.039 10.016 10.018 10.025 10.035 10.047 10.061 10.077 10.095 10.115 10.136 10.160 10.185 10.212 10.241 10.271 10.303 10.337 10.372 10.408 10.446 10.486 10.526 13.832 13.045 12.401 11.876 11.449 11.099 10.812 10.578 10.387 10.233 10.110 10.015 9.943 9.891 9.858 9.838 9.841 9.846 9.852 9.861 9.871 9.883 9.897 9.912 9.930 9.948 9.969 9.990 10.014 10.038 10.064 10.092 10.121 10.151 10.182 10.215 13.688 12.917 12.281 11.763 11.338 10.990 10.704 10.470 10.277 10.120 9.994 9.893 9.816 9.758 9.717 9.680 9.679 9.680 9.682 9.687 9.693 9.701 9.710 9.721 9.733 9.747 9.762 9.779 9.797 9.816 9.837 9.859 9.882 9.907 9.932 9.959 13.551 12.793 12.166 11.653 11.232 10.886 10.601 10.366 10.173 10.014 9.885 9.781 9.698 9.635 9.588 9.538 9.534 9.532 9.531 9.532 9.535 9.539 9.545 9.552 9.561 9.571 9.583 9.595 9.609 9.625 9.641 9.659 9.678 9.698 9.720 9.742 13.419 12.674 12.055 11.547 11.130 10.786 10.502 10.267 10.073 9.913 9.782 9.675 9.589 9.521 9.470 9.408 9.402 9.397 9.394 9.393 9.393 9.394 9.397 9.402 9.408 9.415 9.423 9.433 9.444 9.456 9.470 9.484 9.500 9.517 9.534 9.553 99999.999 12.559 11.948 11.445 11.031 10.689 10.406 10.172 9.978 9.817 9.684 9.575 9.486 9.415 9.360 9.289 9.281 9.274 9.269 9.265 9.263 9.262 9.263 9.265 9.269 9.274 9.280 9.287 9.296 9.305 9.316 9.328 9.341 9.355 9.371 9.387 HO2- HO2(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 1.000 Ref: Shock07 4 -0.750 1 -0.250 6 1.000 2 0.250 4 68.524 62.888 58.189 54.214 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.524 62.888 58.189 54.214 50.812 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.523 62.888 58.189 54.213 50.812 47.875 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.523 62.888 58.188 54.213 50.811 47.874 45.320 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.522 62.887 58.187 54.212 50.810 47.873 45.318 43.083 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.520 62.885 58.186 54.210 50.809 47.872 45.317 43.081 41.117 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.517 62.882 58.183 54.208 50.807 47.869 45.314 43.078 41.114 39.384 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.513 62.879 58.180 54.205 50.803 47.866 45.311 43.074 41.109 39.378 37.856 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.508 62.874 58.176 54.200 50.799 47.861 45.306 43.069 41.103 39.371 37.847 36.514 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.501 62.868 58.170 54.194 50.793 47.855 45.299 43.062 41.095 39.361 37.834 36.498 35.347 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.491 62.859 58.162 54.187 50.785 47.847 45.290 43.052 41.084 39.349 37.819 36.477 35.316 34.353 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.480 62.849 58.152 54.177 50.775 47.837 45.279 43.040 41.070 39.333 37.799 36.451 35.279 34.291 33.579 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.471 62.841 58.144 54.169 50.767 47.829 45.271 43.031 41.060 39.321 37.785 36.432 35.252 34.249 33.483 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.458 62.829 58.133 54.158 50.756 47.817 45.259 43.018 41.045 39.304 37.764 36.406 35.215 34.193 33.379 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.445 62.818 58.122 54.148 50.746 47.806 45.247 43.005 41.031 39.287 37.744 36.380 35.181 34.143 33.293 32.395 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.433 62.807 58.111 54.137 50.735 47.795 45.235 42.992 41.017 39.271 37.725 36.357 35.150 34.098 33.219 31.813 31.809 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.421 62.795 58.101 54.127 50.724 47.784 45.224 42.980 41.003 39.256 37.707 36.334 35.120 34.056 33.154 31.635 31.471 31.401 31.479 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.409 62.784 58.090 54.116 50.714 47.773 45.212 42.968 40.990 39.240 37.689 36.312 35.092 34.018 33.095 31.523 31.310 31.144 31.043 31.033 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.398 62.774 58.080 54.106 50.703 47.763 45.201 42.956 40.977 39.226 37.672 36.291 35.065 33.983 33.043 31.440 31.201 30.995 30.828 30.711 30.656 30.670 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.386 62.763 58.069 54.096 50.693 47.752 45.190 42.944 40.964 39.211 37.655 36.271 35.040 33.950 32.996 31.371 31.117 30.889 30.689 30.523 30.396 30.316 30.283 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.375 62.752 58.059 54.086 50.683 47.742 45.179 42.932 40.951 39.197 37.639 36.252 35.017 33.919 32.953 31.313 31.048 30.805 30.585 30.391 30.226 30.094 29.997 29.937 29.910 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.364 62.742 58.049 54.076 50.673 47.731 45.168 42.920 40.938 39.183 37.623 36.233 34.994 33.891 32.914 31.261 30.988 30.735 30.501 30.290 30.102 29.939 29.803 29.695 29.616 29.562 29.531 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.353 62.732 58.039 54.066 50.663 47.721 45.158 42.909 40.926 39.169 37.607 36.215 34.973 33.864 32.879 31.214 30.935 30.674 30.431 30.207 30.003 29.820 29.659 29.521 29.406 29.313 29.242 29.187 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.342 62.722 58.029 54.056 50.653 47.711 45.147 42.898 40.914 39.156 37.592 36.198 34.952 33.839 32.847 31.172 30.888 30.620 30.370 30.136 29.920 29.723 29.545 29.386 29.247 29.127 29.025 28.940 28.870 28.810 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.332 62.712 58.019 54.046 50.644 47.701 45.137 42.887 40.902 39.143 37.578 36.181 34.933 33.816 32.818 31.132 30.844 30.571 30.315 30.074 29.850 29.642 29.451 29.277 29.120 28.980 28.857 28.749 28.654 28.572 28.498 99999.999 99999.999 99999.999 99999.999 99999.999 68.322 62.702 58.010 54.037 50.634 47.691 45.126 42.876 40.890 39.130 37.563 36.165 34.914 33.794 32.791 31.095 30.804 30.527 30.265 30.019 29.787 29.571 29.371 29.185 29.015 28.861 28.721 28.595 28.482 28.381 28.289 28.206 28.128 99999.999 99999.999 99999.999 68.312 62.692 58.000 54.027 50.624 47.681 45.116 42.865 40.878 39.117 37.549 36.149 34.896 33.773 32.766 31.061 30.766 30.486 30.220 29.968 29.731 29.509 29.300 29.106 28.926 28.760 28.608 28.468 28.341 28.225 28.118 28.020 27.929 27.842 99999.999 99999.999 68.302 62.682 57.991 54.018 50.615 47.672 45.106 42.854 40.867 39.104 37.535 36.134 34.878 33.753 32.742 31.028 30.730 30.447 30.178 29.922 29.680 29.452 29.238 29.036 28.848 28.673 28.511 28.361 28.222 28.094 27.975 27.865 27.762 27.665 27.572 27.483 68.292 62.673 57.981 54.009 50.605 47.662 45.096 42.844 40.856 39.092 37.522 36.118 34.861 33.733 32.720 30.997 30.697 30.411 30.138 29.879 29.634 29.401 29.181 28.974 28.779 28.597 28.426 28.267 28.119 27.981 27.853 27.733 27.620 27.513 27.412 27.315 68.202 62.583 57.892 53.920 50.516 47.570 45.001 42.744 40.750 38.978 37.397 35.982 34.710 33.564 32.530 30.748 30.433 30.130 29.839 29.560 29.292 29.034 28.788 28.551 28.324 28.107 27.898 27.699 27.508 27.325 27.150 26.983 26.822 26.669 26.521 26.380 68.125 62.502 57.810 53.837 50.432 47.486 44.914 42.654 40.655 38.877 37.289 35.865 34.583 33.425 32.377 30.562 30.239 29.927 29.627 29.338 29.060 28.792 28.534 28.285 28.045 27.814 27.592 27.377 27.171 26.972 26.781 26.596 26.418 26.247 26.082 25.923 68.059 62.428 57.734 53.760 50.355 47.407 44.833 42.570 40.567 38.785 37.192 35.761 34.472 33.306 32.248 30.410 30.082 29.765 29.459 29.164 28.879 28.605 28.340 28.084 27.836 27.598 27.367 27.145 26.930 26.722 26.522 26.328 26.141 25.960 25.785 25.617 68.001 62.361 57.664 53.688 50.281 47.332 44.757 42.492 40.486 38.701 37.103 35.668 34.372 33.200 32.135 30.280 29.948 29.627 29.317 29.018 28.729 28.450 28.180 27.919 27.667 27.424 27.188 26.960 26.739 26.526 26.320 26.120 25.927 25.740 25.559 25.384 67.950 62.298 57.598 53.620 50.212 47.262 44.685 42.418 40.411 38.622 37.021 35.582 34.282 33.104 32.034 30.166 29.831 29.507 29.194 28.892 28.600 28.317 28.044 27.780 27.524 27.277 27.037 26.805 26.581 26.363 26.153 25.949 25.751 25.560 25.375 25.195 67.905 62.241 57.535 53.556 50.146 47.195 44.617 42.349 40.339 38.549 36.945 35.502 34.199 33.017 31.942 30.064 29.726 29.400 29.085 28.780 28.486 28.200 27.925 27.658 27.399 27.149 26.906 26.672 26.444 26.224 26.010 25.803 25.602 25.408 25.219 25.036 67.865 62.187 57.476 53.495 50.084 47.131 44.552 42.282 40.271 38.479 36.873 35.428 34.121 32.936 31.857 29.971 29.631 29.303 28.986 28.680 28.383 28.096 27.818 27.549 27.288 27.036 26.791 26.554 26.324 26.101 25.885 25.676 25.473 25.276 25.084 24.899 99999.999 62.136 57.420 53.436 50.024 47.070 44.490 42.219 40.207 38.413 36.805 35.358 34.049 32.861 31.779 29.885 29.545 29.215 28.896 28.588 28.290 28.001 27.721 27.450 27.188 26.934 26.687 26.448 26.217 25.992 25.774 25.563 25.358 25.159 24.965 24.778 HO2- HO2(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 1.000 Ref: Shock07 3 -1.000 1 0.500 31 1.000 2 30.499 28.309 26.579 25.185 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.499 28.309 26.579 25.185 24.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.498 28.309 26.579 25.185 24.049 23.120 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.497 28.307 26.577 25.183 24.048 23.119 22.359 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.494 28.305 26.575 25.181 24.046 23.117 22.357 21.739 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.491 28.301 26.572 25.178 24.043 23.114 22.354 21.735 21.240 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.485 28.296 26.567 25.173 24.038 23.109 22.349 21.730 21.234 20.848 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.476 28.288 26.559 25.166 24.031 23.102 22.341 21.722 21.225 20.838 20.557 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.465 28.278 26.549 25.156 24.021 23.092 22.331 21.712 21.214 20.825 20.541 20.366 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.450 28.263 26.536 25.143 24.009 23.079 22.318 21.698 21.198 20.808 20.520 20.339 20.283 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.430 28.245 26.518 25.126 23.992 23.062 22.301 21.679 21.179 20.785 20.493 20.304 20.233 20.333 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.404 28.221 26.496 25.104 23.970 23.041 22.279 21.656 21.154 20.757 20.460 20.262 20.173 20.232 20.612 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.384 28.203 26.478 25.088 23.954 23.024 22.262 21.638 21.134 20.736 20.435 20.230 20.130 20.163 20.449 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.356 28.177 26.454 25.064 23.930 23.001 22.238 21.613 21.107 20.705 20.399 20.186 20.071 20.074 20.276 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.329 28.151 26.429 25.040 23.907 22.977 22.214 21.588 21.080 20.676 20.365 20.144 20.016 19.995 20.139 21.726 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.301 28.125 26.405 25.017 23.884 22.954 22.190 21.564 21.054 20.647 20.332 20.105 19.964 19.922 20.022 20.608 21.184 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.274 28.100 26.381 24.993 23.861 22.931 22.167 21.539 21.028 20.619 20.300 20.066 19.916 19.856 19.920 20.273 20.543 20.969 21.638 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.247 28.075 26.357 24.970 23.838 22.909 22.144 21.516 21.003 20.591 20.269 20.030 19.870 19.795 19.828 20.072 20.245 20.490 20.839 21.329 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.220 28.050 26.333 24.947 23.816 22.886 22.121 21.492 20.978 20.564 20.239 19.994 19.827 19.738 19.746 19.924 20.049 20.218 20.443 20.744 21.137 21.629 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.194 28.025 26.309 24.924 23.794 22.864 22.098 21.469 20.954 20.538 20.209 19.960 19.785 19.685 19.672 19.805 19.902 20.028 20.191 20.401 20.667 20.999 21.398 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.168 28.001 26.286 24.902 23.771 22.842 22.076 21.446 20.930 20.512 20.181 19.927 19.746 19.636 19.605 19.705 19.781 19.881 20.007 20.166 20.362 20.603 20.891 21.227 21.606 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.142 27.976 26.263 24.880 23.749 22.820 22.054 21.423 20.906 20.486 20.152 19.895 19.708 19.590 19.543 19.617 19.679 19.760 19.861 19.987 20.141 20.326 20.545 20.801 21.093 21.415 21.761 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.116 27.952 26.240 24.857 23.728 22.799 22.032 21.400 20.882 20.461 20.125 19.864 19.673 19.546 19.487 19.538 19.589 19.656 19.740 19.843 19.967 20.116 20.291 20.493 20.724 20.981 21.261 21.559 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.091 27.928 26.217 24.835 23.706 22.777 22.011 21.378 20.859 20.436 20.098 19.834 19.638 19.505 19.435 19.466 19.509 19.564 19.635 19.721 19.825 19.948 20.091 20.257 20.445 20.655 20.885 21.132 21.393 21.662 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.065 27.904 26.194 24.813 23.685 22.756 21.989 21.356 20.836 20.412 20.072 19.805 19.605 19.466 19.388 19.400 19.435 19.482 19.542 19.615 19.703 19.807 19.928 20.067 20.224 20.399 20.592 20.800 21.022 21.253 21.490 99999.999 99999.999 99999.999 99999.999 99999.999 30.040 27.881 26.172 24.792 23.663 22.735 21.968 21.335 20.813 20.388 20.046 19.777 19.573 19.430 19.344 19.339 19.368 19.407 19.458 19.521 19.597 19.686 19.790 19.909 20.042 20.192 20.356 20.534 20.724 20.924 21.131 21.343 21.556 99999.999 99999.999 99999.999 30.016 27.857 26.150 24.770 23.642 22.714 21.947 21.313 20.791 20.365 20.021 19.749 19.542 19.394 19.302 19.282 19.305 19.339 19.382 19.437 19.503 19.580 19.670 19.773 19.889 20.018 20.160 20.314 20.479 20.654 20.836 21.024 21.215 21.406 99999.999 99999.999 29.991 27.834 26.127 24.749 23.621 22.693 21.926 21.292 20.769 20.341 19.996 19.722 19.512 19.361 19.264 19.228 19.247 19.275 19.312 19.360 19.417 19.485 19.564 19.654 19.756 19.869 19.994 20.129 20.274 20.428 20.590 20.757 20.928 21.101 21.275 21.446 29.967 27.811 26.105 24.727 23.601 22.673 21.905 21.271 20.747 20.318 19.971 19.695 19.483 19.328 19.226 19.177 19.191 19.215 19.247 19.288 19.339 19.399 19.469 19.549 19.639 19.739 19.849 19.969 20.098 20.235 20.380 20.530 20.684 20.841 21.000 21.158 29.733 27.588 25.892 24.522 23.400 22.474 21.707 21.070 20.541 20.103 19.744 19.453 19.220 19.040 18.907 18.766 18.756 18.753 18.755 18.762 18.776 18.795 18.819 18.849 18.884 18.924 18.969 19.019 19.074 19.133 19.196 19.264 19.335 19.410 19.488 19.569 29.515 27.378 25.691 24.327 23.211 22.288 21.522 20.884 20.352 19.909 19.542 19.240 18.995 18.800 18.648 18.458 18.436 18.420 18.408 18.400 18.398 18.399 18.406 18.416 18.430 18.448 18.471 18.496 18.526 18.559 18.595 18.634 18.677 18.722 18.770 18.821 29.310 27.179 25.499 24.142 23.030 22.112 21.348 20.710 20.176 19.730 19.358 19.049 18.796 18.590 18.425 18.204 18.175 18.150 18.130 18.114 18.102 18.094 18.090 18.089 18.092 18.099 18.108 18.122 18.138 18.157 18.179 18.204 18.231 18.261 18.294 18.329 29.116 26.988 25.315 23.964 22.858 21.943 21.181 20.544 20.010 19.562 19.187 18.873 18.614 18.400 18.227 17.984 17.950 17.920 17.894 17.872 17.854 17.839 17.828 17.821 17.817 17.816 17.818 17.823 17.831 17.841 17.855 17.871 17.889 17.910 17.933 17.958 28.930 26.805 25.138 23.793 22.692 21.781 21.022 20.386 19.853 19.404 19.026 18.710 18.446 18.227 18.047 17.788 17.750 17.716 17.686 17.660 17.638 17.619 17.603 17.591 17.582 17.575 17.572 17.572 17.574 17.579 17.586 17.596 17.608 17.622 17.639 17.657 28.751 26.628 24.967 23.628 22.532 21.625 20.868 20.235 19.702 19.253 18.875 18.556 18.289 18.066 17.881 17.610 17.569 17.532 17.500 17.470 17.445 17.422 17.403 17.388 17.375 17.365 17.357 17.353 17.351 17.352 17.355 17.360 17.368 17.377 17.389 17.403 28.578 26.457 24.801 23.468 22.376 21.473 20.720 20.089 19.557 19.109 18.730 18.410 18.140 17.915 17.727 17.446 17.403 17.364 17.329 17.298 17.269 17.245 17.223 17.204 17.189 17.176 17.166 17.158 17.153 17.151 17.150 17.152 17.157 17.163 17.172 17.182 99999.999 26.290 24.639 23.312 22.225 21.326 20.576 19.947 19.418 18.970 18.591 18.270 18.000 17.772 17.581 17.294 17.249 17.208 17.171 17.138 17.108 17.081 17.058 17.037 17.019 17.004 16.992 16.982 16.974 16.970 16.967 16.966 16.968 16.972 16.978 16.986 H2O2,aq H2O2 P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 2 1.000 2 0.500 31 18.273 16.625 15.284 14.173 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.273 16.625 15.284 14.173 13.242 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.273 16.625 15.284 14.173 13.242 12.454 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.273 16.625 15.284 14.173 13.242 12.454 11.781 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.273 16.625 15.284 14.173 13.242 12.454 11.781 11.203 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.273 16.625 15.284 14.173 13.242 12.454 11.781 11.203 10.705 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.273 16.625 15.284 14.173 13.242 12.454 11.781 11.203 10.704 10.272 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.272 16.625 15.284 14.173 13.242 12.454 11.781 11.203 10.704 10.272 9.896 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.271 16.625 15.284 14.173 13.242 12.454 11.781 11.203 10.704 10.271 9.895 9.567 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.270 16.624 15.284 14.173 13.242 12.454 11.781 11.203 10.703 10.271 9.894 9.566 9.281 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.269 16.624 15.284 14.173 13.242 12.454 11.780 11.202 10.703 10.270 9.893 9.565 9.279 9.032 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.267 16.624 15.284 14.173 13.242 12.453 11.780 11.202 10.702 10.269 9.892 9.563 9.276 9.028 8.818 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.266 16.623 15.284 14.173 13.242 12.453 11.780 11.201 10.702 10.268 9.890 9.561 9.274 9.025 8.812 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.264 16.623 15.284 14.174 13.242 12.453 11.780 11.201 10.701 10.267 9.889 9.559 9.272 9.021 8.805 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.263 16.622 15.284 14.174 13.242 12.453 11.779 11.200 10.700 10.266 9.887 9.557 9.269 9.018 8.800 8.491 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.261 16.622 15.284 14.174 13.242 12.453 11.779 11.200 10.699 10.265 9.886 9.555 9.267 9.014 8.795 8.455 8.410 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.259 16.621 15.283 14.174 13.242 12.453 11.779 11.199 10.698 10.263 9.884 9.554 9.264 9.011 8.791 8.441 8.387 8.341 8.304 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.257 16.621 15.283 14.174 13.242 12.453 11.778 11.199 10.698 10.262 9.883 9.552 9.262 9.008 8.787 8.432 8.375 8.323 8.277 8.238 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.256 16.620 15.283 14.174 13.242 12.453 11.778 11.198 10.697 10.261 9.882 9.550 9.260 9.005 8.783 8.424 8.365 8.311 8.261 8.216 8.177 8.142 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.254 16.620 15.283 14.174 13.242 12.452 11.778 11.198 10.696 10.260 9.880 9.548 9.257 9.003 8.780 8.418 8.358 8.302 8.250 8.202 8.159 8.120 8.085 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.252 16.619 15.283 14.173 13.242 12.452 11.777 11.197 10.695 10.259 9.879 9.546 9.255 9.000 8.776 8.412 8.351 8.294 8.241 8.191 8.146 8.104 8.066 8.031 8.000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.251 16.619 15.283 14.173 13.242 12.452 11.777 11.196 10.694 10.258 9.877 9.545 9.253 8.997 8.773 8.407 8.345 8.287 8.233 8.182 8.135 8.091 8.051 8.014 7.980 7.949 7.921 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.249 16.618 15.283 14.173 13.242 12.452 11.776 11.196 10.693 10.257 9.876 9.543 9.251 8.995 8.770 8.402 8.340 8.281 8.226 8.174 8.126 8.081 8.039 8.001 7.965 7.932 7.902 7.874 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.248 16.618 15.282 14.173 13.241 12.451 11.776 11.195 10.693 10.256 9.875 9.541 9.249 8.992 8.767 8.397 8.335 8.275 8.220 8.167 8.118 8.072 8.029 7.989 7.952 7.918 7.886 7.857 7.830 7.804 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.246 16.617 15.282 14.173 13.241 12.451 11.776 11.194 10.692 10.255 9.873 9.540 9.247 8.990 8.764 8.393 8.330 8.270 8.214 8.161 8.111 8.064 8.021 7.980 7.941 7.906 7.873 7.842 7.814 7.787 7.763 99999.999 99999.999 99999.999 99999.999 99999.999 18.245 16.617 15.282 14.173 13.241 12.451 11.775 11.194 10.691 10.254 9.872 9.538 9.245 8.988 8.762 8.389 8.325 8.266 8.209 8.155 8.105 8.057 8.013 7.971 7.932 7.895 7.861 7.830 7.800 7.773 7.747 7.723 7.701 99999.999 99999.999 99999.999 18.243 16.616 15.282 14.173 13.241 12.450 11.775 11.193 10.690 10.253 9.871 9.537 9.243 8.986 8.759 8.385 8.321 8.261 8.204 8.150 8.099 8.051 8.006 7.963 7.924 7.886 7.851 7.819 7.788 7.760 7.733 7.709 7.686 7.664 99999.999 99999.999 18.242 16.616 15.282 14.173 13.241 12.450 11.774 11.193 10.689 10.252 9.870 9.535 9.241 8.983 8.756 8.381 8.317 8.257 8.199 8.145 8.094 8.045 7.999 7.956 7.916 7.878 7.842 7.809 7.778 7.748 7.721 7.696 7.672 7.650 7.629 7.610 18.240 16.615 15.281 14.172 13.240 12.450 11.774 11.192 10.688 10.251 9.868 9.533 9.240 8.981 8.754 8.378 8.313 8.253 8.195 8.140 8.089 8.040 7.993 7.950 7.909 7.870 7.834 7.800 7.768 7.738 7.710 7.684 7.660 7.637 7.615 7.595 18.227 16.610 15.279 14.170 13.238 12.446 11.769 11.185 10.680 10.240 9.856 9.519 9.222 8.961 8.731 8.347 8.281 8.219 8.159 8.102 8.048 7.997 7.948 7.902 7.857 7.816 7.776 7.738 7.703 7.669 7.637 7.607 7.578 7.551 7.526 7.502 18.216 16.605 15.275 14.167 13.234 12.442 11.763 11.178 10.671 10.230 9.844 9.505 9.207 8.944 8.711 8.323 8.256 8.192 8.131 8.073 8.018 7.965 7.915 7.867 7.822 7.778 7.737 7.698 7.660 7.625 7.591 7.559 7.529 7.500 7.473 7.447 18.206 16.601 15.272 14.164 13.231 12.437 11.757 11.171 10.663 10.220 9.833 9.493 9.193 8.928 8.694 8.302 8.234 8.169 8.107 8.048 7.992 7.939 7.888 7.839 7.793 7.748 7.706 7.666 7.627 7.591 7.556 7.523 7.492 7.462 7.433 7.406 18.198 16.597 15.270 14.161 13.227 12.432 11.752 11.164 10.655 10.211 9.823 9.481 9.180 8.914 8.678 8.283 8.214 8.149 8.087 8.027 7.970 7.916 7.864 7.815 7.768 7.723 7.680 7.639 7.600 7.562 7.527 7.493 7.461 7.430 7.401 7.373 18.191 16.594 15.267 14.158 13.223 12.428 11.746 11.158 10.647 10.202 9.813 9.470 9.168 8.900 8.663 8.266 8.197 8.131 8.068 8.008 7.951 7.896 7.843 7.793 7.746 7.700 7.657 7.615 7.576 7.538 7.502 7.467 7.434 7.403 7.373 7.345 18.185 16.591 15.265 14.156 13.220 12.423 11.741 11.151 10.640 10.194 9.803 9.460 9.156 8.888 8.650 8.250 8.181 8.114 8.051 7.990 7.933 7.877 7.825 7.774 7.726 7.680 7.636 7.594 7.554 7.516 7.479 7.444 7.411 7.379 7.349 7.320 18.181 16.589 15.263 14.153 13.217 12.419 11.736 11.145 10.633 10.186 9.794 9.450 9.145 8.876 8.637 8.235 8.166 8.099 8.035 7.974 7.916 7.861 7.807 7.757 7.708 7.662 7.617 7.575 7.534 7.496 7.459 7.423 7.390 7.358 7.327 7.297 99999.999 16.588 15.261 14.151 13.214 12.415 11.731 11.140 10.627 10.179 9.786 9.441 9.135 8.865 8.625 8.222 8.152 8.085 8.021 7.960 7.901 7.845 7.792 7.741 7.692 7.645 7.600 7.557 7.517 7.478 7.440 7.405 7.371 7.338 7.307 7.277 H2O2,aq H2O2 P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 0.250 1 1.000 2 0.250 4 -0.250 6 56.298 51.204 46.893 43.201 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.298 51.204 46.893 43.201 40.004 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.299 51.205 46.894 43.202 40.004 37.208 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.299 51.205 46.894 43.202 40.005 37.209 34.741 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.300 51.207 46.896 43.203 40.006 37.210 34.742 32.547 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.302 51.209 46.897 43.205 40.008 37.211 34.744 32.549 30.582 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.305 51.211 46.900 43.208 40.010 37.214 34.746 32.552 30.584 28.808 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.309 51.216 46.904 43.212 40.014 37.218 34.750 32.555 30.588 28.812 27.195 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.314 51.221 46.910 43.217 40.019 37.223 34.755 32.560 30.593 28.817 27.201 25.715 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.321 51.229 46.917 43.224 40.026 37.229 34.761 32.566 30.600 28.824 27.208 25.725 24.345 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.331 51.239 46.927 43.234 40.035 37.238 34.770 32.575 30.608 28.833 27.218 25.737 24.362 23.053 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.343 51.251 46.939 43.246 40.047 37.249 34.781 32.586 30.619 28.844 27.231 25.752 24.382 23.087 21.785 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.352 51.261 46.949 43.255 40.056 37.258 34.789 32.594 30.627 28.853 27.240 25.763 24.396 23.111 21.847 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.366 51.275 46.963 43.268 40.068 37.270 34.801 32.606 30.639 28.865 27.254 25.779 24.416 23.140 21.907 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.379 51.289 46.976 43.281 40.081 37.282 34.813 32.617 30.651 28.877 27.266 25.793 24.435 23.166 21.954 19.160 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.393 51.303 46.990 43.294 40.093 37.294 34.824 32.628 30.662 28.889 27.279 25.808 24.452 23.190 21.992 19.660 19.036 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.406 51.317 47.003 43.307 40.105 37.306 34.836 32.640 30.673 28.900 27.291 25.821 24.468 23.211 22.025 19.803 19.316 18.773 18.145 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.420 51.331 47.017 43.320 40.118 37.317 34.847 32.651 30.684 28.911 27.303 25.834 24.484 23.231 22.054 19.883 19.440 18.977 18.482 17.942 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.433 51.344 47.030 43.332 40.130 37.329 34.858 32.662 30.695 28.922 27.315 25.847 24.498 23.250 22.080 19.940 19.517 19.088 18.646 18.184 17.696 17.183 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.446 51.358 47.043 43.345 40.142 37.340 34.869 32.673 30.706 28.933 27.326 25.859 24.512 23.267 22.103 19.984 19.573 19.162 18.747 18.324 17.888 17.436 16.970 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.460 51.371 47.056 43.357 40.154 37.352 34.880 32.683 30.716 28.944 27.337 25.871 24.526 23.283 22.125 20.020 19.618 19.218 18.818 18.416 18.010 17.595 17.172 16.741 16.304 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.473 51.385 47.069 43.370 40.165 37.363 34.891 32.694 30.727 28.955 27.348 25.883 24.539 23.298 22.144 20.051 19.654 19.262 18.873 18.485 18.096 17.704 17.308 16.908 16.504 16.097 15.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.486 51.398 47.082 43.382 40.177 37.374 34.902 32.704 30.737 28.965 27.359 25.894 24.551 23.313 22.162 20.078 19.686 19.299 18.917 18.538 18.161 17.785 17.407 17.028 16.647 16.265 15.883 15.502 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.499 51.411 47.095 43.394 40.189 37.385 34.912 32.715 30.747 28.975 27.369 25.905 24.563 23.326 22.179 20.103 19.714 19.331 18.955 18.583 18.214 17.848 17.483 17.118 16.754 16.390 16.027 15.665 15.306 14.952 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.513 51.425 47.107 43.406 40.200 37.396 34.923 32.725 30.757 28.985 27.379 25.916 24.575 23.339 22.194 20.125 19.739 19.360 18.987 18.620 18.258 17.899 17.543 17.190 16.838 16.487 16.138 15.791 15.447 15.106 14.771 99999.999 99999.999 99999.999 99999.999 99999.999 56.526 51.438 47.120 43.418 40.211 37.407 34.933 32.735 30.767 28.995 27.389 25.926 24.586 23.352 22.209 20.145 19.761 19.385 19.016 18.653 18.295 17.942 17.593 17.248 16.905 16.564 16.226 15.891 15.559 15.230 14.905 14.586 14.273 99999.999 99999.999 99999.999 56.539 51.451 47.132 43.430 40.223 37.418 34.944 32.745 30.777 29.005 27.399 25.937 24.597 23.364 22.222 20.164 19.782 19.408 19.041 18.682 18.328 17.980 17.636 17.296 16.961 16.628 16.299 15.973 15.650 15.330 15.015 14.705 14.400 14.101 99999.999 99999.999 56.552 51.464 47.145 43.442 40.234 37.429 34.954 32.755 30.787 29.015 27.409 25.947 24.608 23.375 22.235 20.182 19.801 19.429 19.065 18.708 18.357 18.012 17.673 17.338 17.008 16.682 16.359 16.040 15.725 15.414 15.106 14.803 14.505 14.213 13.927 13.647 56.565 51.477 47.157 43.454 40.245 37.439 34.964 32.765 30.797 29.024 27.419 25.957 24.618 23.386 22.247 20.198 19.819 19.449 19.086 18.731 18.383 18.042 17.706 17.375 17.049 16.728 16.411 16.098 15.789 15.484 15.183 14.887 14.595 14.309 14.028 13.752 56.696 51.605 47.279 43.568 40.353 37.542 35.062 32.859 30.889 29.115 27.509 26.048 24.712 23.485 22.353 20.330 19.958 19.596 19.243 18.899 18.564 18.237 17.917 17.604 17.298 16.999 16.706 16.419 16.137 15.861 15.591 15.325 15.065 14.810 14.559 14.313 56.826 51.729 47.395 43.677 40.456 37.639 35.155 32.948 30.974 29.198 27.591 26.130 24.795 23.569 22.440 20.427 20.058 19.700 19.351 19.011 18.680 18.357 18.043 17.736 17.436 17.144 16.858 16.579 16.306 16.038 15.777 15.521 15.271 15.025 14.785 14.549 56.955 51.850 47.508 43.783 40.555 37.732 35.243 33.032 31.055 29.276 27.667 26.205 24.869 23.644 22.517 20.508 20.141 19.784 19.437 19.099 18.770 18.450 18.138 17.833 17.537 17.247 16.965 16.689 16.420 16.156 15.899 15.647 15.401 15.160 14.925 14.694 57.083 51.969 47.618 43.885 40.650 37.821 35.327 33.112 31.131 29.350 27.739 26.275 24.939 23.713 22.586 20.579 20.213 19.857 19.510 19.174 18.846 18.527 18.216 17.913 17.618 17.330 17.050 16.776 16.508 16.247 15.992 15.743 15.499 15.260 15.027 14.799 57.212 52.087 47.726 43.985 40.743 37.909 35.409 33.190 31.205 29.421 27.808 26.342 25.004 23.778 22.650 20.644 20.278 19.922 19.576 19.240 18.913 18.594 18.284 17.982 17.688 17.401 17.122 16.849 16.582 16.322 16.068 15.820 15.578 15.341 15.109 14.882 57.340 52.203 47.833 44.083 40.835 37.994 35.489 33.265 31.277 29.490 27.874 26.406 25.066 23.839 22.710 20.704 20.338 19.982 19.636 19.300 18.973 18.655 18.346 18.044 17.751 17.464 17.185 16.913 16.647 16.388 16.135 15.887 15.646 15.410 15.179 14.953 57.468 52.319 47.938 44.180 40.924 38.077 35.568 33.339 31.347 29.556 27.938 26.468 25.126 23.898 22.768 20.760 20.394 20.038 19.693 19.357 19.030 18.712 18.402 18.101 17.807 17.521 17.243 16.971 16.705 16.446 16.194 15.947 15.706 15.470 15.240 15.014 99999.999 52.434 48.042 44.275 41.012 38.159 35.644 33.411 31.416 29.622 28.000 26.528 25.184 23.954 22.823 20.814 20.447 20.091 19.746 19.410 19.083 18.765 18.455 18.154 17.860 17.574 17.296 17.024 16.759 16.500 16.247 16.001 15.760 15.524 15.294 15.069 H3PO2,aq H3PO2 P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 1.500 1 0.500 6 1.000 27 -0.500 4 36.585 32.850 29.614 26.785 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.585 32.850 29.614 26.785 24.282 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.586 32.850 29.615 26.786 24.283 22.044 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.587 32.852 29.616 26.787 24.284 22.045 20.020 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.589 32.854 29.618 26.789 24.286 22.047 20.023 18.171 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.592 32.857 29.622 26.792 24.290 22.051 20.026 18.175 16.462 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.597 32.861 29.626 26.797 24.294 22.056 20.032 18.181 16.469 14.864 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.603 32.868 29.633 26.804 24.302 22.063 20.040 18.189 16.479 14.875 13.345 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.612 32.878 29.643 26.814 24.311 22.074 20.050 18.201 16.492 14.891 13.366 11.875 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.625 32.890 29.655 26.826 24.324 22.087 20.065 18.217 16.510 14.912 13.392 11.912 10.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.640 32.907 29.672 26.843 24.341 22.105 20.084 18.238 16.533 14.939 13.426 11.957 10.486 8.924 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.661 32.928 29.693 26.864 24.363 22.127 20.107 18.264 16.562 14.973 13.468 12.013 10.568 9.061 7.251 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.676 32.944 29.709 26.881 24.380 22.145 20.126 18.283 16.584 14.999 13.499 12.054 10.627 9.155 7.458 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.699 32.967 29.733 26.904 24.404 22.169 20.152 18.312 16.616 15.035 13.543 12.111 10.706 9.277 7.688 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.721 32.990 29.756 26.927 24.427 22.194 20.178 18.339 16.646 15.071 13.586 12.165 10.780 9.387 7.879 4.180 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.743 33.013 29.779 26.950 24.451 22.218 20.203 18.367 16.677 15.105 13.626 12.217 10.849 9.487 8.044 5.305 4.306 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.764 33.036 29.802 26.973 24.474 22.241 20.228 18.393 16.706 15.138 13.666 12.266 10.914 9.578 8.189 5.659 4.968 4.122 3.001 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.786 33.059 29.824 26.996 24.497 22.265 20.253 18.420 16.735 15.171 13.704 12.313 10.975 9.662 8.319 5.883 5.289 4.632 3.872 2.955 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.807 33.081 29.847 27.019 24.519 22.288 20.277 18.446 16.763 15.203 13.741 12.357 11.032 9.740 8.435 6.054 5.509 4.931 4.302 3.600 2.798 1.877 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.829 33.103 29.869 27.041 24.542 22.312 20.301 18.472 16.791 15.234 13.777 12.400 11.086 9.811 8.540 6.194 5.680 5.146 4.583 3.980 3.323 2.597 1.795 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.850 33.125 29.891 27.063 24.564 22.334 20.325 18.497 16.819 15.264 13.812 12.442 11.137 9.878 8.634 6.315 5.822 5.317 4.794 4.246 3.666 3.045 2.377 1.657 0.888 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.870 33.147 29.913 27.085 24.587 22.357 20.348 18.522 16.846 15.294 13.845 12.481 11.185 9.939 8.719 6.422 5.945 5.461 4.964 4.452 3.919 3.361 2.772 2.148 1.490 0.799 0.083 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.891 33.169 29.935 27.107 24.609 22.380 20.372 18.546 16.872 15.323 13.878 12.520 11.231 9.996 8.796 6.519 6.055 5.586 5.109 4.622 4.121 3.603 3.065 2.504 1.918 1.308 0.677 0.030 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.911 33.190 29.957 27.129 24.630 22.402 20.395 18.571 16.898 15.352 13.910 12.556 11.274 10.050 8.865 6.607 6.154 5.697 5.235 4.767 4.289 3.800 3.297 2.778 2.242 1.689 1.119 0.536 -0.057 -0.653 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.932 33.212 29.979 27.150 24.652 22.424 20.418 18.595 16.924 15.380 13.942 12.592 11.316 10.099 8.928 6.689 6.244 5.798 5.348 4.894 4.434 3.966 3.489 3.001 2.500 1.987 1.462 0.927 0.383 -0.165 -0.713 99999.999 99999.999 99999.999 99999.999 99999.999 36.952 33.233 30.000 27.172 24.674 22.446 20.440 18.619 16.949 15.408 13.972 12.627 11.356 10.146 8.985 6.765 6.328 5.890 5.450 5.009 4.563 4.111 3.654 3.188 2.714 2.231 1.740 1.240 0.734 0.224 -0.287 -0.796 -1.298 99999.999 99999.999 99999.999 36.972 33.254 30.021 27.193 24.695 22.468 20.463 18.642 16.975 15.435 14.002 12.660 11.394 10.191 9.038 6.837 6.406 5.975 5.544 5.112 4.678 4.240 3.798 3.350 2.897 2.437 1.971 1.499 1.022 0.542 0.061 -0.419 -0.894 -1.362 99999.999 99999.999 36.992 33.276 30.043 27.214 24.716 22.489 20.485 18.665 16.999 15.462 14.032 12.693 11.431 10.233 9.087 6.905 6.479 6.055 5.632 5.208 4.783 4.356 3.927 3.494 3.057 2.615 2.169 1.719 1.265 0.809 0.352 -0.103 -0.556 -1.003 -1.442 -1.870 37.012 33.297 30.064 27.235 24.737 22.511 20.507 18.688 17.024 15.488 14.061 12.725 11.467 10.273 9.134 6.969 6.549 6.130 5.713 5.296 4.880 4.462 4.043 3.622 3.198 2.772 2.342 1.910 1.475 1.038 0.601 0.165 -0.268 -0.696 -1.119 -1.533 37.201 33.500 30.268 27.439 24.941 22.716 20.717 18.906 17.253 15.733 14.325 13.014 11.785 10.628 9.531 7.487 7.097 6.713 6.333 5.958 5.587 5.220 4.856 4.496 4.138 3.782 3.429 3.079 2.730 2.384 2.039 1.698 1.358 1.021 0.687 0.357 37.379 33.693 30.463 27.633 25.135 22.910 20.913 19.107 17.461 15.951 14.557 13.263 12.054 10.919 9.850 7.873 7.500 7.133 6.772 6.417 6.067 5.722 5.382 5.046 4.714 4.387 4.063 3.743 3.426 3.112 2.801 2.494 2.189 1.888 1.589 1.293 37.547 33.877 30.650 27.819 25.319 23.094 21.098 19.295 17.654 16.151 14.767 13.484 12.289 11.171 10.120 8.189 7.826 7.470 7.121 6.778 6.441 6.109 5.783 5.462 5.145 4.833 4.526 4.223 3.923 3.627 3.335 3.047 2.762 2.480 2.201 1.925 37.709 34.055 30.831 27.999 25.497 23.271 21.275 19.473 17.835 16.337 14.960 13.686 12.501 11.395 10.358 8.460 8.104 7.756 7.415 7.080 6.752 6.429 6.112 5.801 5.494 5.193 4.896 4.604 4.316 4.032 3.752 3.476 3.203 2.934 2.668 2.405 37.864 34.228 31.006 28.173 25.669 23.441 21.445 19.643 18.007 16.513 15.140 13.872 12.696 11.599 10.572 8.698 8.349 8.006 7.671 7.342 7.020 6.704 6.394 6.090 5.791 5.497 5.208 4.923 4.643 4.367 4.096 3.828 3.564 3.304 3.047 2.793 38.015 34.397 31.177 28.342 25.836 23.606 21.609 19.807 18.172 16.679 15.310 14.047 12.876 11.787 10.768 8.913 8.568 8.230 7.899 7.575 7.258 6.947 6.642 6.343 6.049 5.761 5.477 5.199 4.925 4.655 4.390 4.128 3.871 3.617 3.367 3.120 38.163 34.562 31.343 28.507 25.999 23.767 21.768 19.965 18.330 16.839 15.471 14.212 13.046 11.961 10.950 9.110 8.768 8.433 8.106 7.786 7.472 7.165 6.864 6.569 6.280 5.996 5.717 5.442 5.173 4.908 4.647 4.391 4.138 3.889 3.644 3.402 99999.999 34.724 31.507 28.669 26.158 23.924 21.923 20.119 18.483 16.992 15.626 14.369 13.206 12.126 11.119 9.291 8.952 8.620 8.296 7.979 7.668 7.364 7.066 6.775 6.488 6.208 5.932 5.661 5.396 5.134 4.877 4.624 4.375 4.130 3.889 3.651 H3PO2,aq H3PO2 P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 3 2.000 1 1.000 27 -1.000 31 112.635 102.008 92.834 84.842 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.635 102.008 92.834 84.842 77.807 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.636 102.010 92.835 84.843 77.808 71.553 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.639 102.012 92.838 84.846 77.810 71.555 65.941 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.643 102.017 92.842 84.850 77.815 71.560 65.945 60.859 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.651 102.024 92.849 84.857 77.822 71.567 65.952 60.867 56.217 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.661 102.035 92.860 84.867 77.832 71.577 65.963 60.878 56.229 51.936 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.677 102.050 92.875 84.882 77.846 71.591 65.978 60.894 56.247 51.956 47.944 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.698 102.071 92.895 84.902 77.866 71.612 65.999 60.916 56.271 51.983 47.977 44.172 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.727 102.099 92.923 84.929 77.893 71.639 66.026 60.945 56.302 52.019 48.021 44.229 40.545 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.764 102.136 92.959 84.964 77.928 71.674 66.062 60.983 56.343 52.066 48.077 44.302 40.651 36.966 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.812 102.183 93.005 85.009 77.972 71.718 66.108 61.031 56.396 52.125 48.147 44.392 40.779 37.180 33.185 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.849 102.220 93.040 85.044 78.007 71.753 66.144 61.068 56.436 52.169 48.199 44.458 40.871 37.326 33.528 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.902 102.272 93.091 85.093 78.056 71.802 66.194 61.121 56.492 52.232 48.273 44.550 40.995 37.515 33.893 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.954 102.324 93.142 85.143 78.104 71.851 66.244 61.173 56.548 52.293 48.344 44.638 41.111 37.684 34.186 25.517 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.007 102.376 93.192 85.192 78.152 71.899 66.293 61.224 56.602 52.353 48.413 44.721 41.220 37.837 34.437 27.715 25.557 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.059 102.427 93.241 85.240 78.200 71.947 66.342 61.274 56.656 52.412 48.479 44.801 41.322 37.978 34.657 28.382 26.824 24.985 22.684 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.110 102.478 93.291 85.288 78.248 71.994 66.390 61.324 56.708 52.469 48.544 44.878 41.418 38.108 34.853 28.786 27.419 25.940 24.281 22.363 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.162 102.528 93.340 85.336 78.295 72.041 66.437 61.373 56.760 52.525 48.607 44.952 41.510 38.228 35.029 29.085 27.813 26.485 25.072 23.536 21.837 19.959 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.213 102.579 93.389 85.384 78.341 72.088 66.484 61.421 56.811 52.580 48.668 45.023 41.596 38.340 35.187 29.327 28.112 26.867 25.577 24.223 22.780 21.231 19.566 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.264 102.629 93.437 85.431 78.388 72.134 66.531 61.469 56.861 52.634 48.728 45.091 41.678 38.444 35.331 29.532 28.356 27.165 25.949 24.696 23.394 22.028 20.590 19.076 17.496 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.315 102.679 93.486 85.478 78.434 72.179 66.577 61.517 56.911 52.687 48.786 45.157 41.757 38.541 35.461 29.711 28.564 27.411 26.244 25.057 23.841 22.587 21.287 19.936 18.536 17.094 15.623 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.365 102.728 93.534 85.524 78.479 72.225 66.622 61.564 56.960 52.739 48.843 45.222 41.831 38.632 35.580 29.872 28.747 27.622 26.491 25.350 24.191 23.010 21.801 20.559 19.282 17.973 16.638 15.287 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.415 102.777 93.581 85.571 78.525 72.270 66.668 61.610 57.008 52.791 48.899 45.284 41.903 38.718 35.688 30.018 28.912 27.809 26.705 25.597 24.480 23.351 22.204 21.036 19.846 18.633 17.400 16.152 14.896 13.643 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.465 102.826 93.629 85.617 78.570 72.314 66.713 61.656 57.056 52.841 48.954 45.344 41.971 38.798 35.787 30.153 29.061 27.976 26.894 25.812 24.727 23.635 22.534 21.421 20.293 19.150 17.993 16.824 15.649 14.473 13.303 99999.999 99999.999 99999.999 99999.999 99999.999 113.514 102.875 93.676 85.662 78.615 72.359 66.757 61.701 57.103 52.891 49.007 45.403 42.037 38.874 35.879 30.278 29.199 28.129 27.064 26.003 24.943 23.881 22.814 21.741 20.660 19.570 18.470 17.363 16.251 15.138 14.029 12.929 11.845 99999.999 99999.999 99999.999 113.564 102.924 93.723 85.708 78.659 72.402 66.801 61.746 57.149 52.940 49.060 45.460 42.101 38.947 35.964 30.395 29.327 28.269 27.219 26.176 25.135 24.097 23.058 22.017 20.971 19.921 18.866 17.807 16.745 15.683 14.625 13.573 12.534 11.511 99999.999 99999.999 113.613 102.972 93.770 85.753 78.703 72.446 66.845 61.790 57.195 52.988 49.111 45.516 42.163 39.016 36.044 30.506 29.447 28.400 27.363 26.333 25.310 24.291 23.274 22.258 21.241 20.223 19.203 18.182 17.161 16.140 15.123 14.112 13.112 12.124 11.154 10.203 113.662 103.020 93.816 85.798 78.747 72.490 66.888 61.834 57.240 53.036 49.162 45.571 42.223 39.084 36.121 30.611 29.560 28.522 27.496 26.479 25.469 24.466 23.468 22.472 21.479 20.487 19.496 18.506 17.517 16.530 15.547 14.571 13.603 12.647 11.706 10.781 114.140 103.489 94.268 86.235 79.173 72.908 67.305 62.255 57.671 53.482 49.632 46.073 42.765 39.675 36.776 31.451 30.450 29.467 28.502 27.553 26.619 25.700 24.794 23.900 23.019 22.148 21.288 20.439 19.599 18.768 17.947 17.135 16.332 15.538 14.754 13.979 114.600 103.940 94.702 86.654 79.578 73.305 67.697 62.646 58.067 53.887 50.051 46.512 43.229 40.170 37.308 32.081 31.105 30.149 29.211 28.293 27.391 26.507 25.638 24.784 23.944 23.118 22.305 21.504 20.716 19.939 19.173 18.418 17.673 16.938 16.213 15.499 115.045 104.376 95.122 87.057 79.968 73.684 68.069 63.016 58.437 54.263 50.435 46.908 43.642 40.604 37.766 32.602 31.640 30.700 29.779 28.879 27.996 27.131 26.283 25.451 24.634 23.832 23.044 22.269 21.507 20.758 20.021 19.295 18.581 17.877 17.184 16.501 115.480 104.800 95.528 87.447 80.344 74.049 68.427 63.368 58.788 54.615 50.793 47.274 44.019 40.995 38.174 33.053 32.101 31.171 30.262 29.373 28.503 27.651 26.816 25.998 25.195 24.408 23.636 22.878 22.133 21.401 20.682 19.975 19.279 18.594 17.920 17.257 115.905 105.214 95.925 87.827 80.710 74.403 68.772 63.707 59.123 54.950 51.130 47.616 44.368 41.354 38.546 33.455 32.511 31.588 30.687 29.806 28.945 28.101 27.276 26.467 25.675 24.899 24.137 23.390 22.657 21.937 21.229 20.535 19.851 19.180 18.519 17.869 116.324 105.621 96.313 88.197 81.066 74.747 69.106 64.034 59.446 55.271 51.451 47.939 44.696 41.689 38.889 33.821 32.882 31.965 31.070 30.195 29.340 28.503 27.684 26.883 26.098 25.329 24.575 23.836 23.111 22.399 21.701 21.015 20.341 19.678 19.027 18.386 116.738 106.021 96.694 88.561 81.414 75.083 69.432 64.352 59.758 55.579 51.758 48.247 45.007 42.004 39.211 34.159 33.224 32.312 31.420 30.550 29.699 28.868 28.054 27.258 26.478 25.715 24.967 24.234 23.515 22.809 22.117 21.437 20.770 20.114 19.469 18.836 99999.999 106.416 97.069 88.917 81.755 75.412 69.750 64.662 60.062 55.879 52.055 48.543 45.304 42.304 39.515 34.475 33.543 32.633 31.746 30.878 30.031 29.203 28.394 27.601 26.826 26.067 25.323 24.594 23.880 23.179 22.491 21.817 21.154 20.503 19.864 19.235 H2PO2- H2PO2- P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 4 0.500 1 0.500 6 1.000 27 -0.500 4 38.510 34.829 31.670 28.930 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.510 34.829 31.670 28.930 26.524 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.510 34.829 31.671 28.930 26.524 24.390 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.511 34.830 31.671 28.931 26.525 24.391 22.479 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.512 34.831 31.672 28.932 26.526 24.392 22.481 20.753 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.513 34.832 31.674 28.933 26.528 24.394 22.482 20.755 19.179 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.516 34.835 31.677 28.936 26.530 24.396 22.485 20.758 19.183 17.732 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.519 34.838 31.680 28.939 26.534 24.400 22.489 20.762 19.187 17.738 16.388 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.523 34.843 31.685 28.944 26.539 24.405 22.495 20.768 19.194 17.746 16.398 15.126 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.528 34.849 31.691 28.951 26.546 24.412 22.502 20.776 19.203 17.756 16.410 15.142 13.928 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.536 34.857 31.700 28.959 26.554 24.421 22.512 20.786 19.214 17.769 16.426 15.163 13.957 12.779 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.545 34.868 31.711 28.970 26.566 24.433 22.524 20.800 19.229 17.785 16.446 15.189 13.992 12.828 11.651 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.553 34.876 31.719 28.979 26.574 24.442 22.533 20.810 19.240 17.798 16.461 15.208 14.017 12.864 11.694 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.563 34.888 31.731 28.991 26.587 24.455 22.547 20.824 19.256 17.816 16.482 15.235 14.053 12.914 11.765 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.574 34.900 31.743 29.003 26.599 24.468 22.560 20.838 19.271 17.833 16.503 15.260 14.087 12.961 11.836 10.614 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.584 34.911 31.755 29.015 26.611 24.480 22.573 20.852 19.286 17.850 16.523 15.284 14.119 13.005 11.903 10.366 10.137 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.594 34.923 31.767 29.027 26.623 24.493 22.586 20.866 19.301 17.867 16.542 15.308 14.149 13.047 11.966 10.331 10.032 9.761 9.481 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.605 34.934 31.779 29.039 26.636 24.505 22.599 20.880 19.316 17.883 16.560 15.330 14.177 13.085 12.023 10.336 10.015 9.711 9.422 9.129 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.615 34.946 31.791 29.051 26.648 24.517 22.612 20.893 19.331 17.899 16.579 15.352 14.204 13.120 12.075 10.354 10.024 9.706 9.401 9.105 8.806 8.487 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.625 34.957 31.802 29.063 26.660 24.530 22.625 20.907 19.345 17.915 16.596 15.373 14.230 13.154 12.123 10.377 10.043 9.719 9.405 9.100 8.802 8.503 8.193 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.635 34.968 31.814 29.075 26.671 24.542 22.637 20.920 19.359 17.930 16.614 15.393 14.254 13.184 12.166 10.402 10.067 9.740 9.421 9.111 8.809 8.511 8.214 7.912 7.600 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.645 34.980 31.826 29.087 26.683 24.554 22.650 20.933 19.373 17.945 16.630 15.412 14.277 13.212 12.204 10.428 10.092 9.763 9.443 9.130 8.825 8.526 8.231 7.938 7.643 7.344 7.039 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.655 34.991 31.837 29.098 26.695 24.566 22.662 20.946 19.387 17.960 16.647 15.431 14.298 13.239 12.239 10.454 10.118 9.789 9.467 9.153 8.846 8.546 8.251 7.960 7.672 7.385 7.097 6.807 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.665 35.002 31.849 29.110 26.707 24.577 22.674 20.958 19.400 17.975 16.663 15.449 14.319 13.263 12.270 10.480 10.144 9.815 9.493 9.179 8.871 8.569 8.274 7.984 7.698 7.415 7.135 6.857 6.580 6.305 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.674 35.013 31.860 29.121 26.718 24.589 22.686 20.971 19.413 17.989 16.679 15.466 14.339 13.286 12.298 10.505 10.170 9.841 9.520 9.205 8.897 8.595 8.299 8.009 7.724 7.444 7.167 6.894 6.624 6.358 6.095 99999.999 99999.999 99999.999 99999.999 99999.999 38.684 35.024 31.871 29.133 26.730 24.601 22.698 20.984 19.427 18.003 16.694 15.483 14.358 13.307 12.323 10.530 10.195 9.867 9.546 9.231 8.923 8.622 8.326 8.036 7.751 7.471 7.197 6.926 6.660 6.399 6.141 5.889 5.643 99999.999 99999.999 99999.999 38.694 35.035 31.883 29.144 26.741 24.613 22.710 20.996 19.440 18.017 16.709 15.499 14.376 13.328 12.346 10.555 10.220 9.893 9.572 9.258 8.950 8.649 8.353 8.063 7.779 7.500 7.226 6.957 6.693 6.433 6.179 5.930 5.687 5.451 99999.999 99999.999 38.704 35.046 31.894 29.156 26.753 24.624 22.722 21.008 19.453 18.031 16.724 15.515 14.393 13.347 12.367 10.579 10.245 9.918 9.598 9.284 8.977 8.676 8.381 8.091 7.807 7.528 7.255 6.987 6.723 6.465 6.213 5.966 5.724 5.489 5.261 5.039 38.713 35.057 31.905 29.167 26.764 24.636 22.734 21.020 19.465 18.045 16.738 15.531 14.410 13.365 12.387 10.602 10.269 9.942 9.623 9.310 9.004 8.703 8.408 8.119 7.835 7.557 7.284 7.016 6.754 6.496 6.244 5.998 5.757 5.523 5.295 5.073 38.806 35.164 32.016 29.278 26.876 24.748 22.848 21.137 19.587 18.173 16.875 15.677 14.567 13.533 12.568 10.811 10.484 10.164 9.850 9.544 9.244 8.949 8.661 8.378 8.100 7.828 7.560 7.297 7.039 6.786 6.537 6.293 6.053 5.817 5.586 5.360 38.895 35.268 32.123 29.386 26.983 24.855 22.956 21.247 19.700 18.290 16.997 15.806 14.703 13.679 12.722 10.985 10.663 10.347 10.039 9.737 9.442 9.153 8.870 8.592 8.320 8.053 7.791 7.533 7.281 7.032 6.789 6.549 6.313 6.081 5.853 5.629 38.981 35.369 32.228 29.491 27.087 24.959 23.059 21.351 19.806 18.399 17.110 15.924 14.827 13.808 12.858 11.137 10.817 10.506 10.201 9.903 9.611 9.326 9.047 8.773 8.505 8.242 7.984 7.732 7.483 7.239 7.000 6.764 6.533 6.305 6.082 5.861 39.064 35.468 32.330 29.593 27.189 25.059 23.159 21.452 19.907 18.502 17.215 16.033 14.940 13.926 12.981 11.272 10.955 10.646 10.343 10.048 9.760 9.477 9.201 8.931 8.666 8.406 8.152 7.902 7.657 7.417 7.181 6.949 6.721 6.497 6.277 6.060 39.145 35.565 32.430 29.693 27.288 25.158 23.257 21.549 20.004 18.600 17.315 16.135 15.045 14.035 13.094 11.394 11.079 10.772 10.472 10.179 9.892 9.612 9.339 9.070 8.808 8.551 8.299 8.052 7.810 7.572 7.339 7.110 6.885 6.664 6.447 6.233 39.225 35.660 32.529 29.792 27.386 25.254 23.352 21.643 20.099 18.694 17.411 16.232 15.144 14.137 13.200 11.506 11.193 10.888 10.589 10.298 10.013 9.735 9.463 9.197 8.936 8.681 8.432 8.187 7.947 7.711 7.480 7.253 7.031 6.812 6.597 6.385 39.304 35.754 32.626 29.889 27.482 25.348 23.445 21.735 20.190 18.786 17.503 16.325 15.239 14.233 13.299 11.611 11.299 10.995 10.698 10.408 10.125 9.848 9.577 9.313 9.054 8.800 8.552 8.309 8.070 7.837 7.607 7.382 7.161 6.944 6.731 6.522 99999.999 35.847 32.723 29.985 27.576 25.441 23.537 21.826 20.280 18.875 17.592 16.414 15.329 14.325 13.392 11.709 11.398 11.095 10.799 10.510 10.228 9.953 9.683 9.420 9.162 8.910 8.663 8.421 8.184 7.951 7.724 7.500 7.280 7.065 6.853 6.645 H2PO2- H2PO2- P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 3 1.000 1 1.000 27 -1.000 31 114.560 103.987 94.890 86.986 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.560 103.987 94.890 86.986 80.048 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.561 103.988 94.891 86.987 80.049 73.899 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.563 103.990 94.893 86.989 80.051 73.901 68.400 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.566 103.994 94.897 86.993 80.054 73.904 68.403 63.441 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.572 103.999 94.902 86.998 80.060 73.909 68.408 63.447 58.934 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.580 104.008 94.910 87.006 80.067 73.917 68.416 63.455 58.943 54.804 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.592 104.020 94.922 87.017 80.078 73.928 68.428 63.466 58.955 54.818 50.987 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.609 104.036 94.937 87.033 80.094 73.943 68.443 63.483 58.972 54.837 51.009 47.422 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.631 104.058 94.959 87.053 80.114 73.964 68.464 63.504 58.995 54.863 51.039 47.460 44.055 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.659 104.086 94.987 87.080 80.141 73.990 68.491 63.532 59.025 54.895 51.077 47.508 44.122 40.821 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.696 104.123 95.022 87.115 80.175 74.024 68.525 63.567 59.062 54.937 51.125 47.567 44.202 40.947 37.585 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.725 104.152 95.050 87.142 80.201 74.050 68.551 63.595 59.091 54.968 51.161 47.612 44.262 41.036 37.763 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.766 104.192 95.090 87.181 80.239 74.088 68.589 63.633 59.132 55.013 51.212 47.673 44.342 41.152 37.969 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.807 104.233 95.129 87.219 80.276 74.125 68.627 63.672 59.172 55.056 51.261 47.732 44.418 41.259 38.143 31.951 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.848 104.273 95.168 87.257 80.313 74.162 68.663 63.710 59.212 55.099 51.309 47.789 44.489 41.356 38.297 32.776 31.388 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.889 104.313 95.207 87.294 80.350 74.198 68.700 63.747 59.251 55.140 51.355 47.843 44.557 41.447 38.433 33.054 31.888 30.624 29.163 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.929 104.353 95.245 87.332 80.387 74.234 68.736 63.784 59.289 55.181 51.400 47.895 44.621 41.531 38.557 33.240 32.145 31.019 29.832 28.537 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.969 104.393 95.284 87.369 80.423 74.270 68.772 63.820 59.327 55.222 51.445 47.946 44.682 41.609 38.669 33.386 32.328 31.260 30.171 29.040 27.846 26.568 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.009 104.432 95.322 87.406 80.459 74.305 68.808 63.856 59.365 55.261 51.488 47.995 44.740 41.682 38.770 33.510 32.475 31.440 30.400 29.343 28.260 27.136 25.964 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.049 104.472 95.360 87.443 80.495 74.341 68.843 63.892 59.402 55.300 51.530 48.042 44.795 41.750 38.863 33.619 32.600 31.587 30.576 29.562 28.537 27.494 26.427 25.331 24.208 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.089 104.511 95.398 87.479 80.530 74.376 68.878 63.928 59.438 55.338 51.571 48.088 44.848 41.814 38.947 33.717 32.711 31.714 30.723 29.736 28.747 27.752 26.746 25.726 24.690 23.639 22.579 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.129 104.550 95.435 87.516 80.566 74.411 68.913 63.963 59.474 55.376 51.612 48.133 44.899 41.874 39.023 33.807 32.810 31.825 30.850 29.882 28.917 27.953 26.987 26.015 25.036 24.050 23.058 22.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.168 104.589 95.473 87.552 80.601 74.445 68.947 63.997 59.510 55.413 51.651 48.176 44.947 41.931 39.093 33.891 32.902 31.927 30.963 30.009 29.062 28.120 27.181 26.242 25.302 24.360 23.416 22.473 21.533 20.601 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.207 104.627 95.510 87.588 80.636 74.480 68.981 64.032 59.545 55.450 51.690 48.218 44.994 41.985 39.158 33.969 32.987 32.020 31.065 30.123 29.189 28.264 27.344 26.429 25.516 24.606 23.697 22.791 21.890 20.996 20.112 99999.999 99999.999 99999.999 99999.999 99999.999 115.247 104.666 95.547 87.624 80.671 74.514 69.015 64.066 59.580 55.486 51.728 48.259 45.039 42.035 39.217 34.043 33.066 32.106 31.159 30.226 29.304 28.391 27.487 26.589 25.697 24.810 23.927 23.049 22.177 21.313 20.458 19.615 18.786 99999.999 99999.999 99999.999 115.286 104.704 95.584 87.659 80.705 74.548 69.049 64.100 59.614 55.522 51.766 48.299 45.083 42.084 39.272 34.113 33.141 32.186 31.247 30.321 29.408 28.506 27.613 26.729 25.853 24.984 24.121 23.265 22.416 21.574 20.743 19.922 19.115 18.323 99999.999 99999.999 115.325 104.742 95.621 87.695 80.740 74.581 69.082 64.133 59.648 55.557 51.803 48.339 45.126 42.130 39.325 34.180 33.212 32.263 31.329 30.410 29.504 28.610 27.728 26.855 25.991 25.136 24.289 23.450 22.619 21.796 20.983 20.181 19.391 18.616 17.856 17.113 115.364 104.781 95.658 87.730 80.774 74.615 69.115 64.166 59.682 55.592 51.840 48.377 45.167 42.176 39.375 34.243 33.280 32.335 31.406 30.493 29.593 28.707 27.833 26.969 26.116 25.272 24.438 23.612 22.796 21.988 21.191 20.404 19.629 18.867 18.119 17.387 115.745 105.154 96.016 88.074 81.107 74.940 69.435 64.486 60.005 55.922 52.181 48.736 45.546 42.581 39.813 34.775 33.837 32.918 32.019 31.139 30.275 29.429 28.598 27.782 26.981 26.194 25.419 24.657 23.908 23.170 22.445 21.730 21.027 20.334 19.653 18.982 116.116 105.515 96.363 88.406 81.427 75.250 69.739 64.786 60.305 56.226 52.491 49.055 45.878 42.929 40.181 35.194 34.268 33.363 32.478 31.613 30.767 29.938 29.126 28.330 27.549 26.784 26.033 25.295 24.571 23.859 23.160 22.472 21.796 21.131 20.477 19.834 116.479 105.867 96.699 88.728 81.736 75.549 70.030 65.072 60.589 56.510 52.778 49.348 46.179 43.240 40.504 35.550 34.632 33.735 32.859 32.003 31.166 30.348 29.547 28.762 27.994 27.240 26.502 25.778 25.067 24.370 23.685 23.013 22.352 21.703 21.065 20.437 116.835 106.212 97.028 89.041 82.036 75.838 70.311 65.347 60.860 56.779 53.049 49.621 46.457 43.525 40.797 35.865 34.952 34.061 33.191 32.341 31.511 30.699 29.905 29.127 28.367 27.622 26.891 26.176 25.474 24.786 24.111 23.448 22.797 22.158 21.530 20.912 117.187 106.551 97.349 89.347 82.329 76.119 70.584 65.613 61.120 57.037 53.306 49.879 46.718 43.790 41.068 36.151 35.241 34.354 33.488 32.643 31.817 31.010 30.220 29.448 28.693 27.953 27.229 26.519 25.824 25.142 24.473 23.817 23.173 22.540 21.919 21.309 117.534 106.884 97.665 89.648 82.615 76.395 70.849 65.871 61.373 57.286 53.552 50.125 46.965 44.039 41.321 36.414 35.508 34.623 33.760 32.918 32.095 31.291 30.505 29.737 28.985 28.250 27.529 26.824 26.133 25.455 24.791 24.140 23.500 22.873 22.257 21.652 117.879 107.214 97.977 89.943 82.897 76.664 71.109 66.123 61.618 57.526 53.790 50.361 47.201 44.276 41.560 36.661 35.756 34.873 34.012 33.172 32.352 31.550 30.767 30.001 29.252 28.520 27.802 27.100 26.412 25.738 25.077 24.429 23.793 23.169 22.557 21.955 99999.999 107.540 98.284 90.234 83.173 76.929 71.364 66.369 61.858 57.761 54.020 50.589 47.427 44.503 41.788 36.893 35.989 35.108 34.249 33.410 32.591 31.792 31.010 30.246 29.500 28.769 28.054 27.354 26.668 25.996 25.338 24.692 24.059 23.438 22.828 22.229 HPO3-2 HPO3-2 P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 -0.250 1 1.000 27 0.250 6 -0.250 4 17.065 15.476 14.120 12.949 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.065 15.476 14.120 12.949 11.927 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.065 15.476 14.120 12.949 11.927 11.027 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.065 15.475 14.120 12.949 11.927 11.027 10.229 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.065 15.475 14.119 12.949 11.927 11.027 10.228 9.515 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.064 15.475 14.119 12.949 11.927 11.027 10.228 9.515 8.874 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.064 15.474 14.119 12.948 11.927 11.027 10.228 9.514 8.874 8.296 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.063 15.474 14.118 12.948 11.926 11.026 10.227 9.514 8.873 8.296 7.775 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.062 15.473 14.118 12.947 11.925 11.026 10.227 9.513 8.872 8.294 7.773 7.305 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.060 15.472 14.117 12.946 11.925 11.025 10.226 9.512 8.871 8.293 7.771 7.302 6.885 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.058 15.470 14.115 12.945 11.924 11.024 10.225 9.511 8.869 8.291 7.769 7.298 6.878 6.520 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.055 15.468 14.114 12.944 11.922 11.022 10.223 9.509 8.868 8.289 7.766 7.294 6.870 6.503 6.239 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.053 15.467 14.113 12.943 11.921 11.021 10.222 9.508 8.866 8.287 7.764 7.290 6.865 6.492 6.196 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.051 15.465 14.111 12.941 11.920 11.020 10.221 9.506 8.864 8.285 7.761 7.286 6.859 6.480 6.161 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.048 15.463 14.109 12.940 11.919 11.019 10.219 9.505 8.863 8.283 7.758 7.282 6.853 6.469 6.138 6.287 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.045 15.461 14.108 12.938 11.917 11.017 10.218 9.503 8.861 8.281 7.755 7.279 6.848 6.461 6.121 5.787 5.915 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.042 15.459 14.106 12.937 11.916 11.016 10.217 9.502 8.859 8.279 7.753 7.275 6.843 6.453 6.108 5.656 5.646 5.703 5.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.040 15.457 14.105 12.936 11.915 11.015 10.215 9.501 8.858 8.277 7.750 7.272 6.839 6.447 6.097 5.588 5.534 5.512 5.534 5.608 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.037 15.456 14.103 12.935 11.914 11.014 10.214 9.499 8.856 8.275 7.748 7.269 6.834 6.441 6.088 5.544 5.470 5.415 5.385 5.386 5.420 5.485 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.035 15.454 14.102 12.933 11.912 11.012 10.213 9.498 8.855 8.273 7.746 7.267 6.831 6.435 6.079 5.511 5.426 5.354 5.298 5.262 5.248 5.259 5.291 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.032 15.452 14.101 12.932 11.911 11.011 10.212 9.497 8.853 8.272 7.744 7.264 6.827 6.431 6.072 5.487 5.393 5.310 5.240 5.183 5.142 5.119 5.114 5.125 5.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.030 15.451 14.099 12.931 11.910 11.010 10.211 9.495 8.852 8.270 7.742 7.261 6.824 6.426 6.066 5.466 5.368 5.278 5.197 5.128 5.070 5.026 4.995 4.979 4.975 4.981 4.995 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.027 15.449 14.098 12.930 11.909 11.009 10.210 9.494 8.851 8.268 7.740 7.259 6.821 6.422 6.059 5.450 5.347 5.252 5.164 5.086 5.017 4.959 4.912 4.876 4.852 4.837 4.831 4.831 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.025 15.447 14.097 12.929 11.908 11.008 10.209 9.493 8.849 8.267 7.738 7.257 6.818 6.418 6.054 5.435 5.329 5.230 5.138 5.054 4.977 4.909 4.850 4.801 4.761 4.730 4.708 4.692 4.682 4.676 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.023 15.446 14.096 12.928 11.907 11.007 10.208 9.492 8.848 8.266 7.736 7.255 6.815 6.414 6.049 5.423 5.314 5.212 5.116 5.027 4.945 4.870 4.803 4.744 4.693 4.650 4.614 4.585 4.562 4.544 4.530 99999.999 99999.999 99999.999 99999.999 99999.999 17.020 15.444 14.094 12.927 11.906 11.006 10.207 9.491 8.847 8.264 7.735 7.252 6.812 6.410 6.044 5.412 5.301 5.197 5.098 5.005 4.918 4.838 4.765 4.698 4.639 4.586 4.541 4.501 4.468 4.440 4.416 4.395 4.377 99999.999 99999.999 99999.999 17.018 15.443 14.093 12.926 11.905 11.006 10.206 9.490 8.846 8.263 7.733 7.250 6.810 6.407 6.039 5.402 5.290 5.183 5.082 4.986 4.896 4.812 4.734 4.661 4.596 4.536 4.482 4.435 4.392 4.355 4.323 4.294 4.268 4.244 99999.999 99999.999 17.016 15.441 14.092 12.925 11.905 11.005 10.205 9.489 8.845 8.262 7.732 7.249 6.807 6.404 6.035 5.393 5.280 5.172 5.068 4.970 4.877 4.790 4.708 4.631 4.560 4.494 4.435 4.380 4.331 4.286 4.246 4.210 4.177 4.147 4.119 4.094 17.014 15.440 14.091 12.924 11.904 11.004 10.204 9.488 8.844 8.260 7.730 7.247 6.805 6.400 6.030 5.385 5.271 5.161 5.056 4.956 4.861 4.770 4.685 4.605 4.530 4.460 4.395 4.335 4.280 4.230 4.183 4.141 4.102 4.066 4.032 4.001 16.994 15.428 14.082 12.916 11.897 10.997 10.197 9.481 8.835 8.251 7.718 7.232 6.787 6.377 6.000 5.332 5.211 5.094 4.980 4.870 4.764 4.661 4.562 4.466 4.373 4.284 4.197 4.114 4.034 3.956 3.881 3.809 3.740 3.673 3.608 3.546 16.977 15.418 14.075 12.911 11.892 10.993 10.193 9.476 8.830 8.244 7.710 7.222 6.775 6.362 5.982 5.303 5.179 5.059 4.942 4.828 4.718 4.611 4.507 4.406 4.308 4.212 4.120 4.030 3.942 3.857 3.774 3.693 3.615 3.539 3.465 3.392 16.962 15.410 14.071 12.908 11.890 10.990 10.190 9.473 8.826 8.239 7.705 7.216 6.766 6.352 5.969 5.284 5.159 5.037 4.918 4.803 4.690 4.581 4.475 4.371 4.271 4.172 4.077 3.983 3.893 3.804 3.718 3.633 3.551 3.471 3.393 3.316 16.948 15.404 14.067 12.906 11.888 10.989 10.189 9.471 8.824 8.237 7.701 7.211 6.761 6.345 5.960 5.271 5.145 5.022 4.902 4.785 4.672 4.561 4.454 4.349 4.246 4.146 4.049 3.954 3.862 3.771 3.683 3.597 3.512 3.430 3.350 3.271 16.937 15.399 14.065 12.905 11.888 10.989 10.189 9.471 8.823 8.235 7.699 7.209 6.757 6.340 5.954 5.262 5.135 5.011 4.890 4.773 4.659 4.547 4.439 4.333 4.229 4.129 4.030 3.934 3.840 3.749 3.659 3.572 3.486 3.403 3.321 3.241 16.926 15.396 14.065 12.906 11.889 10.990 10.190 9.471 8.823 8.235 7.699 7.207 6.755 6.337 5.950 5.255 5.128 5.003 4.882 4.764 4.649 4.537 4.428 4.321 4.217 4.116 4.017 3.920 3.825 3.733 3.642 3.554 3.468 3.383 3.300 3.220 16.916 15.393 14.065 12.907 11.891 10.992 10.191 9.473 8.825 8.236 7.699 7.207 6.754 6.335 5.947 5.251 5.123 4.998 4.876 4.758 4.642 4.530 4.420 4.313 4.208 4.106 4.006 3.909 3.814 3.721 3.630 3.541 3.454 3.369 3.286 3.204 99999.999 15.391 14.066 12.909 11.894 10.995 10.194 9.475 8.827 8.237 7.700 7.207 6.754 6.335 5.946 5.248 5.119 4.994 4.872 4.753 4.637 4.524 4.414 4.307 4.202 4.099 3.999 3.901 3.806 3.712 3.621 3.531 3.444 3.358 3.274 3.192 HPO3-2 HPO3-2 P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 2 1.000 27 -0.500 31 55.090 50.055 45.730 41.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.090 50.055 45.730 41.978 38.690 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.090 50.055 45.730 41.978 38.690 35.782 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.091 50.056 45.731 41.978 38.690 35.782 33.189 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.092 50.057 45.732 41.979 38.691 35.783 33.190 30.859 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.094 50.058 45.733 41.981 38.693 35.785 33.191 30.861 28.751 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.096 50.061 45.736 41.983 38.695 35.787 33.193 30.863 28.754 26.832 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.100 50.065 45.739 41.987 38.698 35.790 33.197 30.866 28.757 26.836 25.074 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.105 50.070 45.744 41.991 38.703 35.795 33.201 30.870 28.761 26.840 25.079 23.453 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.111 50.076 45.750 41.998 38.709 35.800 33.207 30.876 28.767 26.846 25.086 23.461 21.948 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.120 50.085 45.759 42.006 38.717 35.808 33.214 30.883 28.775 26.854 25.094 23.470 21.960 20.541 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.131 50.096 45.770 42.016 38.727 35.818 33.224 30.893 28.784 26.864 25.105 23.483 21.976 20.562 19.206 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.140 50.105 45.778 42.024 38.735 35.826 33.231 30.900 28.792 26.872 25.114 23.492 21.987 20.578 19.231 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.152 50.117 45.790 42.036 38.746 35.836 33.242 30.911 28.803 26.883 25.125 23.506 22.003 20.599 19.263 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.165 50.130 45.802 42.047 38.757 35.847 33.253 30.922 28.813 26.894 25.137 23.518 22.018 20.618 19.292 16.956 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.177 50.142 45.814 42.059 38.768 35.858 33.263 30.932 28.824 26.905 25.148 23.531 22.033 20.636 19.318 16.992 16.541 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.190 50.155 45.826 42.070 38.779 35.869 33.274 30.942 28.834 26.915 25.159 23.543 22.047 20.654 19.342 17.017 16.574 16.135 15.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.202 50.167 45.838 42.082 38.790 35.879 33.284 30.953 28.844 26.926 25.170 23.555 22.060 20.670 19.364 17.040 16.599 16.167 15.739 15.312 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.214 50.179 45.850 42.093 38.801 35.890 33.294 30.963 28.854 26.936 25.181 23.566 22.073 20.685 19.384 17.059 16.622 16.192 15.770 15.353 14.940 14.526 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.227 50.192 45.862 42.105 38.812 35.900 33.305 30.973 28.865 26.946 25.192 23.578 22.086 20.700 19.403 17.078 16.642 16.214 15.795 15.383 14.977 14.576 14.177 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.239 50.204 45.874 42.116 38.823 35.911 33.315 30.983 28.875 26.957 25.202 23.589 22.098 20.714 19.420 17.095 16.660 16.234 15.817 15.408 15.006 14.611 14.220 13.834 13.452 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.252 50.216 45.885 42.127 38.834 35.921 33.325 30.993 28.884 26.967 25.212 23.599 22.110 20.727 19.437 17.111 16.677 16.253 15.837 15.430 15.031 14.639 14.253 13.873 13.498 13.129 12.765 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.264 50.229 45.897 42.139 38.845 35.932 33.335 31.003 28.894 26.976 25.222 23.610 22.121 20.739 19.452 17.126 16.693 16.270 15.856 15.450 15.053 14.663 14.280 13.904 13.534 13.170 12.811 12.459 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.277 50.241 45.909 42.150 38.855 35.942 33.345 31.013 28.904 26.986 25.232 23.620 22.132 20.751 19.465 17.141 16.708 16.286 15.873 15.469 15.073 14.685 14.304 13.930 13.563 13.203 12.848 12.500 12.159 11.824 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.289 50.253 45.921 42.161 38.866 35.953 33.355 31.023 28.914 26.996 25.242 23.631 22.143 20.763 19.478 17.155 16.723 16.302 15.889 15.486 15.091 14.705 14.325 13.954 13.589 13.231 12.879 12.534 12.195 11.863 11.538 99999.999 99999.999 99999.999 99999.999 99999.999 55.302 50.265 45.932 42.172 38.877 35.963 33.365 31.032 28.923 27.006 25.252 23.641 22.153 20.774 19.491 17.168 16.737 16.316 15.905 15.502 15.109 14.723 14.345 13.975 13.612 13.255 12.906 12.563 12.227 11.897 11.574 11.257 10.948 99999.999 99999.999 99999.999 55.314 50.277 45.944 42.183 38.887 35.973 33.375 31.042 28.933 27.015 25.262 23.650 22.163 20.785 19.502 17.181 16.751 16.330 15.920 15.518 15.125 14.740 14.364 13.995 13.633 13.278 12.930 12.589 12.254 11.926 11.604 11.289 10.982 10.680 99999.999 99999.999 55.326 50.290 45.956 42.194 38.898 35.983 33.385 31.052 28.943 27.025 25.271 23.660 22.173 20.795 19.513 17.194 16.764 16.344 15.934 15.533 15.141 14.757 14.381 14.013 13.652 13.299 12.952 12.612 12.279 11.952 11.632 11.318 11.011 10.711 10.417 10.130 55.339 50.302 45.967 42.205 38.909 35.993 33.395 31.061 28.952 27.034 25.281 23.670 22.183 20.806 19.524 17.206 16.776 16.357 15.947 15.547 15.155 14.772 14.397 14.030 13.670 13.318 12.972 12.633 12.301 11.975 11.656 11.344 11.037 10.738 10.444 10.158 55.463 50.422 46.082 42.314 39.013 36.093 33.491 31.155 29.044 27.125 25.372 23.762 22.276 20.901 19.623 17.314 16.887 16.471 16.065 15.668 15.280 14.901 14.531 14.168 13.814 13.467 13.127 12.794 12.468 12.148 11.835 11.528 11.227 10.931 10.641 10.357 55.587 50.541 46.195 42.421 39.114 36.190 33.584 31.245 29.132 27.212 25.457 23.847 22.362 20.988 19.711 17.407 16.981 16.566 16.162 15.766 15.380 15.003 14.635 14.275 13.923 13.578 13.241 12.910 12.587 12.270 11.960 11.655 11.357 11.064 10.777 10.495 55.710 50.659 46.306 42.526 39.214 36.285 33.675 31.333 29.217 27.295 25.539 23.928 22.443 21.068 19.792 17.491 17.066 16.651 16.247 15.853 15.468 15.092 14.725 14.366 14.015 13.671 13.335 13.007 12.685 12.369 12.060 11.758 11.461 11.170 10.884 10.604 55.834 50.776 46.416 42.630 39.312 36.378 33.764 31.419 29.300 27.375 25.618 24.005 22.519 21.145 19.868 17.568 17.143 16.729 16.326 15.932 15.547 15.172 14.805 14.447 14.097 13.754 13.419 13.091 12.770 12.456 12.148 11.846 11.550 11.260 10.976 10.697 55.957 50.892 46.525 42.732 39.408 36.470 33.852 31.503 29.381 27.454 25.694 24.080 22.593 21.218 19.941 17.640 17.216 16.802 16.399 16.005 15.621 15.246 14.879 14.522 14.172 13.830 13.495 13.168 12.847 12.533 12.226 11.925 11.630 11.341 11.057 10.779 56.081 51.008 46.633 42.834 39.504 36.561 33.938 31.585 29.460 27.531 25.769 24.153 22.665 21.288 20.011 17.709 17.285 16.871 16.468 16.074 15.690 15.315 14.949 14.591 14.242 13.900 13.565 13.238 12.918 12.605 12.298 11.997 11.702 11.414 11.130 10.853 56.204 51.123 46.740 42.934 39.599 36.650 34.023 31.667 29.539 27.606 25.842 24.225 22.735 21.357 20.078 17.776 17.351 16.937 16.534 16.140 15.756 15.381 15.015 14.657 14.308 13.966 13.632 13.305 12.985 12.671 12.365 12.064 11.770 11.481 11.198 10.921 99999.999 51.237 46.847 43.034 39.692 36.739 34.108 31.747 29.616 27.680 25.914 24.294 22.803 21.423 20.144 17.840 17.415 17.001 16.597 16.203 15.819 15.444 15.078 14.720 14.370 14.029 13.694 13.368 13.048 12.734 12.428 12.127 11.833 11.545 11.262 10.984 H3PO3,aq H3PO3 P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 1.750 1 0.250 6 1.000 27 -0.250 4 9.152 7.559 6.104 4.780 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.152 7.559 6.104 4.780 3.565 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.153 7.559 6.105 4.780 3.565 2.440 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.153 7.560 6.105 4.781 3.566 2.441 1.385 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.154 7.561 6.106 4.782 3.567 2.442 1.387 0.384 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.156 7.562 6.108 4.784 3.569 2.444 1.389 0.387 -0.578 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.158 7.565 6.110 4.786 3.572 2.447 1.393 0.392 -0.572 -1.518 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.161 7.568 6.114 4.790 3.576 2.452 1.398 0.398 -0.564 -1.508 -2.457 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.165 7.572 6.118 4.795 3.582 2.458 1.406 0.407 -0.553 -1.494 -2.438 -3.420 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.171 7.578 6.125 4.802 3.589 2.467 1.415 0.419 -0.539 -1.475 -2.413 -3.383 -4.440 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.179 7.586 6.133 4.810 3.599 2.478 1.428 0.434 -0.520 -1.451 -2.381 -3.337 -4.366 -5.569 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.188 7.596 6.143 4.821 3.611 2.491 1.444 0.453 -0.497 -1.422 -2.341 -3.281 -4.279 -5.414 -6.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.195 7.604 6.151 4.830 3.620 2.502 1.457 0.468 -0.479 -1.399 -2.312 -3.239 -4.216 -5.309 -6.729 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.206 7.614 6.162 4.842 3.634 2.517 1.474 0.488 -0.454 -1.368 -2.271 -3.182 -4.132 -5.173 -6.459 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.216 7.625 6.174 4.854 3.647 2.532 1.491 0.508 -0.430 -1.338 -2.232 -3.129 -4.055 -5.053 -6.241 -9.845 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.226 7.636 6.185 4.866 3.660 2.546 1.508 0.528 -0.407 -1.309 -2.195 -3.079 -3.984 -4.944 -6.054 -8.353 -9.425 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.236 7.646 6.196 4.878 3.673 2.561 1.524 0.547 -0.384 -1.281 -2.159 -3.032 -3.917 -4.846 -5.891 -7.900 -8.561 -9.431 -10.656 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.246 7.657 6.207 4.890 3.686 2.575 1.540 0.566 -0.361 -1.254 -2.125 -2.987 -3.856 -4.756 -5.747 -7.622 -8.153 -8.774 -9.535 -10.500 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.256 7.667 6.218 4.901 3.698 2.589 1.556 0.584 -0.340 -1.228 -2.092 -2.944 -3.798 -4.674 -5.619 -7.416 -7.881 -8.398 -8.986 -9.675 -10.495 -11.467 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.265 7.677 6.228 4.913 3.710 2.602 1.571 0.602 -0.319 -1.203 -2.061 -2.904 -3.744 -4.599 -5.504 -7.249 -7.675 -8.133 -8.635 -9.195 -9.830 -10.556 -11.382 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.275 7.687 6.239 4.924 3.723 2.616 1.587 0.620 -0.298 -1.178 -2.030 -2.866 -3.694 -4.530 -5.402 -7.108 -7.506 -7.926 -8.377 -8.864 -9.399 -9.991 -10.648 -11.374 -12.163 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.284 7.697 6.249 4.935 3.735 2.629 1.602 0.637 -0.278 -1.154 -2.001 -2.829 -3.647 -4.467 -5.311 -6.985 -7.362 -7.755 -8.171 -8.612 -9.086 -9.598 -10.154 -10.757 -11.410 -12.105 -12.835 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.294 7.707 6.260 4.946 3.747 2.642 1.616 0.654 -0.258 -1.131 -1.973 -2.794 -3.603 -4.409 -5.230 -6.875 -7.235 -7.609 -7.999 -8.408 -8.840 -9.299 -9.790 -10.314 -10.875 -11.469 -12.094 -12.742 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.303 7.717 6.270 4.957 3.758 2.655 1.631 0.670 -0.239 -1.108 -1.946 -2.761 -3.561 -4.355 -5.157 -6.775 -7.123 -7.480 -7.850 -8.235 -8.637 -9.060 -9.505 -9.975 -10.472 -10.996 -11.544 -12.113 -12.697 -13.288 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.312 7.727 6.280 4.968 3.770 2.668 1.645 0.687 -0.220 -1.086 -1.919 -2.729 -3.521 -4.305 -5.091 -6.684 -7.020 -7.365 -7.719 -8.085 -8.465 -8.860 -9.272 -9.703 -10.155 -10.626 -11.118 -11.627 -12.150 -12.682 -13.218 99999.999 99999.999 99999.999 99999.999 99999.999 9.321 7.736 6.290 4.978 3.781 2.681 1.659 0.703 -0.201 -1.064 -1.893 -2.698 -3.484 -4.259 -5.032 -6.600 -6.927 -7.260 -7.602 -7.952 -8.314 -8.687 -9.074 -9.476 -9.894 -10.327 -10.776 -11.240 -11.716 -12.200 -12.690 -13.180 -13.667 99999.999 99999.999 99999.999 9.330 7.746 6.300 4.989 3.793 2.693 1.673 0.719 -0.183 -1.043 -1.869 -2.668 -3.449 -4.216 -4.979 -6.522 -6.840 -7.164 -7.495 -7.833 -8.179 -8.536 -8.903 -9.282 -9.673 -10.077 -10.493 -10.922 -11.360 -11.807 -12.259 -12.713 -13.165 -13.612 99999.999 99999.999 9.338 7.755 6.310 4.999 3.804 2.705 1.687 0.734 -0.165 -1.022 -1.844 -2.640 -3.414 -4.175 -4.929 -6.448 -6.760 -7.076 -7.397 -7.724 -8.058 -8.400 -8.751 -9.112 -9.482 -9.863 -10.253 -10.654 -11.063 -11.479 -11.900 -12.324 -12.747 -13.167 -13.581 -13.986 9.347 7.764 6.320 5.010 3.815 2.718 1.700 0.749 -0.148 -1.002 -1.821 -2.612 -3.382 -4.136 -4.882 -6.379 -6.684 -6.993 -7.306 -7.624 -7.948 -8.278 -8.615 -8.960 -9.314 -9.675 -10.045 -10.423 -10.808 -11.199 -11.595 -11.993 -12.392 -12.789 -13.182 -13.567 9.427 7.853 6.414 5.109 3.921 2.832 1.826 0.890 0.011 -0.819 -1.610 -2.368 -3.099 -3.807 -4.497 -5.841 -6.107 -6.372 -6.637 -6.902 -7.168 -7.434 -7.701 -7.970 -8.239 -8.510 -8.782 -9.055 -9.330 -9.606 -9.883 -10.161 -10.439 -10.717 -10.995 -11.273 9.499 7.935 6.501 5.201 4.018 2.936 1.939 1.014 0.149 -0.665 -1.435 -2.170 -2.873 -3.550 -4.204 -5.461 -5.705 -5.948 -6.190 -6.430 -6.669 -6.907 -7.144 -7.381 -7.617 -7.852 -8.087 -8.322 -8.557 -8.792 -9.026 -9.260 -9.493 -9.727 -9.960 -10.192 9.563 8.011 6.582 5.286 4.108 3.032 2.042 1.125 0.271 -0.529 -1.284 -2.001 -2.684 -3.338 -3.967 -5.163 -5.394 -5.623 -5.849 -6.074 -6.297 -6.518 -6.737 -6.955 -7.172 -7.387 -7.602 -7.815 -8.028 -8.239 -8.450 -8.660 -8.870 -9.078 -9.286 -9.493 9.622 8.082 6.659 5.367 4.193 3.121 2.136 1.227 0.382 -0.408 -1.151 -1.854 -2.521 -3.157 -3.767 -4.918 -5.140 -5.358 -5.574 -5.787 -5.999 -6.208 -6.415 -6.621 -6.824 -7.027 -7.227 -7.426 -7.624 -7.821 -8.017 -8.211 -8.405 -8.597 -8.789 -8.980 9.678 8.150 6.731 5.443 4.272 3.205 2.225 1.321 0.483 -0.299 -1.032 -1.723 -2.377 -2.999 -3.593 -4.710 -4.924 -5.135 -5.342 -5.548 -5.750 -5.951 -6.149 -6.345 -6.540 -6.732 -6.923 -7.112 -7.299 -7.486 -7.670 -7.854 -8.036 -8.217 -8.397 -8.577 9.730 8.214 6.801 5.515 4.348 3.284 2.309 1.410 0.577 -0.198 -0.923 -1.605 -2.249 -2.859 -3.441 -4.529 -4.737 -4.941 -5.143 -5.342 -5.538 -5.731 -5.923 -6.112 -6.299 -6.484 -6.667 -6.848 -7.028 -7.206 -7.383 -7.558 -7.732 -7.905 -8.076 -8.247 9.780 8.277 6.867 5.585 4.421 3.359 2.388 1.493 0.665 -0.104 -0.823 -1.497 -2.132 -2.733 -3.304 -4.370 -4.572 -4.771 -4.968 -5.161 -5.352 -5.540 -5.726 -5.909 -6.090 -6.270 -6.447 -6.622 -6.796 -6.967 -7.138 -7.307 -7.474 -7.640 -7.805 -7.969 99999.999 8.338 6.932 5.652 4.490 3.432 2.463 1.572 0.748 -0.016 -0.729 -1.397 -2.025 -2.618 -3.180 -4.226 -4.425 -4.620 -4.812 -5.001 -5.187 -5.371 -5.552 -5.731 -5.907 -6.082 -6.254 -6.425 -6.593 -6.760 -6.925 -7.089 -7.252 -7.413 -7.572 -7.731 H3PO3,aq H3PO3 P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 3 2.000 1 1.000 27 -0.750 31 48.085 42.863 38.263 34.193 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.085 42.863 38.263 34.193 30.557 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.086 42.864 38.264 34.193 30.558 27.278 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.087 42.865 38.266 34.195 30.559 27.280 24.291 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.090 42.868 38.269 34.198 30.562 27.282 24.295 21.544 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.095 42.873 38.273 34.202 30.566 27.287 24.299 21.550 18.991 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.101 42.879 38.279 34.209 30.573 27.294 24.307 21.558 19.001 16.590 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.111 42.888 38.289 34.218 30.582 27.304 24.317 21.570 19.014 16.607 14.300 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.124 42.901 38.301 34.231 30.595 27.317 24.332 21.586 19.032 16.629 14.328 12.074 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.141 42.919 38.318 34.248 30.613 27.336 24.351 21.607 19.057 16.658 14.365 12.125 9.858 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.164 42.941 38.341 34.270 30.635 27.359 24.376 21.635 19.088 16.695 14.412 12.189 9.956 7.571 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.193 42.970 38.369 34.298 30.664 27.389 24.408 21.670 19.128 16.742 14.470 12.268 10.073 7.775 4.977 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.216 42.992 38.391 34.320 30.687 27.412 24.433 21.696 19.158 16.777 14.514 12.326 10.157 7.914 5.313 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.248 43.024 38.423 34.352 30.718 27.445 24.468 21.734 19.200 16.827 14.575 12.406 10.270 8.091 5.667 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.280 43.056 38.454 34.383 30.750 27.478 24.502 21.772 19.242 16.875 14.633 12.481 10.375 8.249 5.951 -0.592 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.312 43.088 38.485 34.414 30.781 27.510 24.536 21.808 19.283 16.921 14.690 12.553 10.472 8.392 6.191 1.601 -0.170 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.344 43.119 38.516 34.444 30.812 27.542 24.570 21.844 19.323 16.967 14.744 12.621 10.563 8.522 6.401 2.259 1.090 -0.371 -2.307 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.375 43.150 38.547 34.475 30.843 27.573 24.603 21.880 19.362 17.011 14.796 12.686 10.648 8.641 6.586 2.655 1.677 0.576 -0.716 -2.278 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.407 43.181 38.577 34.505 30.873 27.604 24.635 21.915 19.400 17.055 14.847 12.748 10.728 8.751 6.752 2.945 2.062 1.113 0.067 -1.111 -2.462 -4.003 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.438 43.212 38.607 34.535 30.903 27.635 24.667 21.949 19.438 17.097 14.896 12.807 10.803 8.852 6.900 3.177 2.352 1.486 0.565 -0.432 -1.527 -2.738 -4.074 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.469 43.242 38.637 34.564 30.933 27.665 24.699 21.983 19.475 17.138 14.944 12.864 10.874 8.945 7.034 3.372 2.587 1.775 0.928 0.033 -0.921 -1.948 -3.057 -4.250 -5.518 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.500 43.273 38.667 34.594 30.962 27.696 24.731 22.016 19.511 17.179 14.990 12.919 10.942 9.032 7.154 3.543 2.786 2.012 1.215 0.386 -0.482 -1.397 -2.367 -3.397 -4.484 -5.622 -6.796 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.531 43.303 38.697 34.623 30.992 27.725 24.762 22.049 19.547 17.218 15.035 12.972 11.005 9.112 7.263 3.694 2.960 2.215 1.453 0.670 -0.140 -0.982 -1.861 -2.782 -3.745 -4.749 -5.787 -6.849 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.561 43.333 38.726 34.652 31.021 27.755 24.792 22.082 19.582 17.257 15.079 13.023 11.066 9.187 7.361 3.831 3.116 2.392 1.658 0.909 0.141 -0.649 -1.466 -2.312 -3.189 -4.096 -5.032 -5.990 -6.963 -7.940 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.591 43.363 38.755 34.681 31.050 27.784 24.823 22.114 19.616 17.295 15.122 13.072 11.124 9.257 7.450 3.957 3.256 2.551 1.838 1.115 0.379 -0.373 -1.143 -1.935 -2.749 -3.587 -4.446 -5.325 -6.217 -7.117 -8.017 99999.999 99999.999 99999.999 99999.999 99999.999 48.622 43.393 38.784 34.710 31.078 27.813 24.853 22.146 19.650 17.332 15.163 13.119 11.179 9.323 7.532 4.073 3.385 2.695 2.000 1.298 0.587 -0.135 -0.871 -1.622 -2.390 -3.174 -3.976 -4.793 -5.622 -6.458 -7.297 -8.134 -8.961 99999.999 99999.999 99999.999 48.652 43.422 38.813 34.738 31.107 27.842 24.883 22.177 19.684 17.369 15.204 13.165 11.232 9.386 7.607 4.181 3.504 2.827 2.146 1.462 0.771 0.073 -0.636 -1.355 -2.086 -2.830 -3.587 -4.356 -5.134 -5.920 -6.708 -7.496 -8.278 -9.050 99999.999 99999.999 48.682 43.452 38.842 34.767 31.135 27.871 24.912 22.208 19.717 17.405 15.244 13.210 11.283 9.445 7.678 4.283 3.615 2.949 2.281 1.611 0.937 0.258 -0.428 -1.121 -1.824 -2.536 -3.257 -3.988 -4.726 -5.470 -6.217 -6.964 -7.707 -8.443 -9.167 -9.877 48.711 43.481 38.871 34.795 31.163 27.899 24.941 22.239 19.750 17.441 15.283 13.254 11.333 9.502 7.744 4.379 3.719 3.062 2.405 1.748 1.088 0.426 -0.242 -0.914 -1.594 -2.279 -2.972 -3.672 -4.377 -5.087 -5.799 -6.511 -7.221 -7.926 -8.622 -9.306 49.002 43.767 39.149 35.068 31.434 28.172 25.220 22.528 20.055 17.769 15.640 13.647 11.771 9.995 8.304 5.131 4.523 3.922 3.328 2.739 2.157 1.579 1.005 0.435 -0.131 -0.694 -1.254 -1.812 -2.367 -2.919 -3.469 -4.016 -4.560 -5.101 -5.639 -6.172 49.280 44.040 39.415 35.328 31.690 28.428 25.478 22.793 20.331 18.060 15.951 13.982 12.135 10.393 8.744 5.676 5.094 4.520 3.956 3.399 2.850 2.308 1.772 1.243 0.720 0.202 -0.311 -0.818 -1.321 -1.819 -2.312 -2.801 -3.287 -3.767 -4.244 -4.717 49.548 44.304 39.671 35.577 31.935 28.670 25.722 23.040 20.585 18.324 16.229 14.278 12.451 10.734 9.113 6.114 5.548 4.991 4.445 3.907 3.377 2.856 2.342 1.836 1.337 0.844 0.357 -0.123 -0.598 -1.067 -1.531 -1.990 -2.444 -2.893 -3.338 -3.778 49.809 44.561 39.919 35.817 32.170 28.902 25.953 23.273 20.823 18.568 16.483 14.545 12.734 11.035 9.434 6.484 5.929 5.385 4.850 4.325 3.809 3.302 2.802 2.311 1.827 1.351 0.881 0.417 -0.040 -0.491 -0.936 -1.376 -1.810 -2.240 -2.664 -3.084 50.065 44.810 40.160 36.050 32.397 29.126 26.175 23.495 21.047 18.798 16.720 14.791 12.991 11.306 9.721 6.808 6.261 5.725 5.200 4.684 4.178 3.680 3.191 2.711 2.238 1.772 1.314 0.863 0.418 -0.020 -0.453 -0.880 -1.301 -1.716 -2.127 -2.532 50.316 45.055 40.395 36.277 32.618 29.342 26.388 23.708 21.261 19.015 16.942 15.020 13.229 11.554 9.981 7.097 6.556 6.027 5.509 5.000 4.501 4.011 3.530 3.057 2.592 2.135 1.686 1.243 0.807 0.378 -0.045 -0.462 -0.873 -1.279 -1.679 -2.075 50.565 45.296 40.625 36.499 32.833 29.552 26.595 23.913 21.466 19.222 17.152 15.235 13.451 11.784 10.221 7.359 6.824 6.300 5.786 5.283 4.790 4.306 3.830 3.364 2.906 2.455 2.012 1.576 1.147 0.725 0.309 -0.101 -0.505 -0.903 -1.296 -1.684 99999.999 45.534 40.851 36.715 33.042 29.756 26.796 24.112 21.664 19.420 17.353 15.439 13.660 12.000 10.444 7.600 7.069 6.549 6.040 5.541 5.052 4.572 4.102 3.640 3.187 2.741 2.304 1.873 1.450 1.033 0.622 0.218 -0.180 -0.573 -0.960 -1.342 H2PO3- H2PO3- P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 4 0.750 1 0.250 6 1.000 27 -0.250 4 10.894 9.355 7.975 6.736 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.894 9.355 7.975 6.736 5.614 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.894 9.355 7.975 6.736 5.614 4.589 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.894 9.356 7.976 6.737 5.615 4.590 3.643 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.895 9.356 7.976 6.737 5.616 4.590 3.644 2.760 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.896 9.357 7.977 6.738 5.617 4.592 3.645 2.762 1.929 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.897 9.359 7.979 6.740 5.619 4.594 3.648 2.765 1.932 1.136 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.899 9.361 7.981 6.742 5.621 4.597 3.651 2.769 1.937 1.142 0.369 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.902 9.363 7.984 6.745 5.625 4.600 3.655 2.774 1.943 1.150 0.379 -0.388 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.905 9.367 7.988 6.750 5.629 4.606 3.661 2.781 1.951 1.160 0.393 -0.369 -1.147 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.910 9.372 7.993 6.755 5.635 4.612 3.669 2.790 1.962 1.174 0.410 -0.344 -1.111 -1.924 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.915 9.378 8.000 6.762 5.643 4.621 3.678 2.801 1.976 1.190 0.432 -0.314 -1.067 -1.856 -2.761 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.920 9.383 8.005 6.768 5.649 4.627 3.686 2.810 1.986 1.203 0.448 -0.292 -1.035 -1.807 -2.688 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.926 9.390 8.012 6.775 5.657 4.637 3.696 2.822 2.000 1.221 0.471 -0.261 -0.991 -1.742 -2.583 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.932 9.397 8.019 6.783 5.665 4.646 3.707 2.834 2.014 1.238 0.493 -0.232 -0.950 -1.681 -2.484 -3.290 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.939 9.404 8.026 6.791 5.674 4.655 3.717 2.845 2.028 1.254 0.513 -0.205 -0.912 -1.625 -2.394 -3.356 -3.565 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.945 9.410 8.034 6.798 5.682 4.664 3.727 2.857 2.042 1.270 0.533 -0.179 -0.876 -1.573 -2.311 -3.340 -3.566 -3.797 -4.092 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.951 9.417 8.041 6.806 5.690 4.672 3.737 2.868 2.055 1.286 0.552 -0.154 -0.843 -1.526 -2.236 -3.303 -3.536 -3.768 -4.008 -4.285 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.957 9.424 8.048 6.813 5.698 4.681 3.746 2.879 2.067 1.301 0.571 -0.130 -0.811 -1.482 -2.169 -3.261 -3.496 -3.729 -3.964 -4.207 -4.474 -4.790 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.963 9.430 8.055 6.820 5.705 4.690 3.756 2.890 2.080 1.316 0.589 -0.108 -0.782 -1.442 -2.108 -3.220 -3.453 -3.686 -3.918 -4.153 -4.395 -4.656 -4.945 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.969 9.437 8.061 6.828 5.713 4.698 3.765 2.901 2.092 1.330 0.606 -0.087 -0.755 -1.405 -2.054 -3.180 -3.411 -3.642 -3.872 -4.103 -4.336 -4.577 -4.829 -5.101 -5.397 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.974 9.443 8.068 6.835 5.721 4.706 3.775 2.911 2.104 1.344 0.623 -0.066 -0.729 -1.371 -2.005 -3.141 -3.370 -3.599 -3.826 -4.054 -4.283 -4.514 -4.751 -4.997 -5.255 -5.527 -5.815 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.980 9.450 8.075 6.842 5.729 4.715 3.784 2.921 2.116 1.358 0.639 -0.047 -0.705 -1.340 -1.963 -3.103 -3.331 -3.557 -3.782 -4.007 -4.232 -4.458 -4.687 -4.919 -5.158 -5.404 -5.659 -5.923 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.986 9.456 8.082 6.849 5.736 4.723 3.793 2.931 2.127 1.371 0.654 -0.028 -0.682 -1.312 -1.925 -3.067 -3.293 -3.517 -3.740 -3.962 -4.184 -4.407 -4.630 -4.854 -5.082 -5.313 -5.549 -5.790 -6.035 -6.282 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.991 9.462 8.088 6.856 5.744 4.731 3.802 2.941 2.139 1.384 0.670 -0.010 -0.661 -1.286 -1.891 -3.033 -3.256 -3.479 -3.699 -3.919 -4.139 -4.358 -4.577 -4.796 -5.017 -5.239 -5.464 -5.690 -5.919 -6.149 -6.378 99999.999 99999.999 99999.999 99999.999 99999.999 10.997 9.468 8.095 6.863 5.751 4.739 3.810 2.951 2.150 1.397 0.684 0.007 -0.640 -1.262 -1.861 -2.999 -3.221 -3.442 -3.660 -3.878 -4.095 -4.311 -4.527 -4.743 -4.958 -5.175 -5.391 -5.609 -5.827 -6.045 -6.263 -6.478 -6.690 99999.999 99999.999 99999.999 11.003 9.475 8.102 6.870 5.758 4.747 3.819 2.961 2.161 1.409 0.699 0.024 -0.621 -1.239 -1.834 -2.968 -3.188 -3.406 -3.623 -3.839 -4.053 -4.267 -4.480 -4.692 -4.904 -5.116 -5.328 -5.539 -5.750 -5.960 -6.169 -6.376 -6.579 -6.778 99999.999 99999.999 11.008 9.481 8.108 6.877 5.766 4.755 3.827 2.970 2.171 1.421 0.713 0.040 -0.603 -1.218 -1.810 -2.937 -3.155 -3.372 -3.587 -3.801 -4.013 -4.224 -4.435 -4.645 -4.854 -5.062 -5.269 -5.476 -5.682 -5.887 -6.090 -6.291 -6.488 -6.682 -6.870 -7.052 11.013 9.487 8.115 6.884 5.773 4.762 3.836 2.980 2.182 1.433 0.726 0.055 -0.585 -1.197 -1.786 -2.907 -3.124 -3.339 -3.552 -3.764 -3.975 -4.184 -4.392 -4.599 -4.806 -5.011 -5.215 -5.419 -5.621 -5.821 -6.020 -6.216 -6.410 -6.599 -6.784 -6.964 11.065 9.546 8.177 6.949 5.842 4.836 3.915 3.067 2.279 1.542 0.850 0.195 -0.427 -1.020 -1.587 -2.656 -2.861 -3.063 -3.263 -3.461 -3.657 -3.851 -4.044 -4.234 -4.423 -4.610 -4.796 -4.980 -5.163 -5.344 -5.523 -5.701 -5.877 -6.051 -6.223 -6.393 11.111 9.602 8.237 7.011 5.906 4.904 3.988 3.145 2.364 1.637 0.954 0.311 -0.297 -0.875 -1.427 -2.460 -2.657 -2.852 -3.043 -3.232 -3.419 -3.604 -3.786 -3.966 -4.145 -4.321 -4.496 -4.670 -4.841 -5.011 -5.180 -5.347 -5.512 -5.676 -5.839 -6.000 11.154 9.654 8.293 7.070 5.967 4.968 4.055 3.217 2.442 1.721 1.046 0.413 -0.186 -0.753 -1.292 -2.299 -2.490 -2.679 -2.864 -3.047 -3.227 -3.405 -3.581 -3.754 -3.925 -4.094 -4.262 -4.427 -4.591 -4.753 -4.914 -5.073 -5.230 -5.387 -5.541 -5.695 11.194 9.704 8.347 7.126 6.025 5.028 4.118 3.283 2.512 1.797 1.129 0.502 -0.088 -0.646 -1.176 -2.162 -2.349 -2.533 -2.714 -2.892 -3.067 -3.240 -3.410 -3.578 -3.744 -3.908 -4.069 -4.229 -4.387 -4.543 -4.698 -4.851 -5.002 -5.152 -5.301 -5.448 11.233 9.752 8.398 7.180 6.081 5.085 4.178 3.346 2.578 1.867 1.204 0.583 0.000 -0.551 -1.073 -2.043 -2.226 -2.406 -2.583 -2.757 -2.929 -3.098 -3.264 -3.428 -3.589 -3.749 -3.906 -4.061 -4.215 -4.366 -4.516 -4.665 -4.811 -4.956 -5.100 -5.242 11.269 9.799 8.448 7.232 6.134 5.140 4.235 3.405 2.640 1.932 1.273 0.657 0.079 -0.466 -0.981 -1.937 -2.117 -2.294 -2.468 -2.640 -2.808 -2.973 -3.136 -3.297 -3.455 -3.611 -3.765 -3.917 -4.067 -4.214 -4.361 -4.505 -4.648 -4.789 -4.929 -5.068 11.305 9.844 8.497 7.282 6.186 5.193 4.289 3.461 2.699 1.994 1.338 0.726 0.152 -0.388 -0.898 -1.842 -2.020 -2.194 -2.366 -2.534 -2.700 -2.863 -3.023 -3.181 -3.337 -3.490 -3.641 -3.790 -3.937 -4.082 -4.225 -4.366 -4.506 -4.644 -4.781 -4.916 99999.999 9.889 8.545 7.331 6.236 5.245 4.342 3.515 2.755 2.052 1.399 0.790 0.220 -0.316 -0.822 -1.756 -1.932 -2.104 -2.273 -2.440 -2.603 -2.764 -2.922 -3.078 -3.231 -3.382 -3.530 -3.677 -3.821 -3.964 -4.104 -4.243 -4.381 -4.516 -4.651 -4.783 H2PO3- H2PO3- P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 3 1.000 1 1.000 27 -0.750 31 49.826 44.659 40.134 36.149 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.826 44.659 40.134 36.149 32.606 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.827 44.660 40.135 36.149 32.607 29.427 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.828 44.661 40.136 36.151 32.608 29.429 26.549 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.831 44.663 40.139 36.153 32.610 29.431 26.552 23.920 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.835 44.667 40.142 36.157 32.614 29.435 26.556 23.925 21.498 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.840 44.673 40.148 36.162 32.619 29.440 26.562 23.931 21.505 19.245 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.849 44.681 40.156 36.170 32.627 29.449 26.570 23.940 21.515 19.257 17.126 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.860 44.692 40.167 36.181 32.638 29.460 26.582 23.952 21.529 19.272 17.145 15.106 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.875 44.707 40.182 36.196 32.653 29.474 26.597 23.969 21.547 19.293 17.170 15.139 13.151 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.895 44.727 40.201 36.215 32.672 29.494 26.617 23.990 21.570 19.320 17.203 15.182 13.211 11.216 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.920 44.752 40.226 36.239 32.696 29.518 26.643 24.017 21.600 19.354 17.243 15.234 13.285 11.333 9.193 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.940 44.772 40.245 36.258 32.715 29.538 26.662 24.038 21.623 19.379 17.274 15.273 13.339 11.415 9.354 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.968 44.800 40.272 36.285 32.742 29.565 26.690 24.068 21.655 19.415 17.317 15.327 13.411 11.523 9.544 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.996 44.828 40.300 36.312 32.768 29.592 26.718 24.097 21.686 19.451 17.358 15.378 13.480 11.621 9.707 5.963 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.024 44.855 40.327 36.338 32.795 29.618 26.745 24.126 21.717 19.485 17.398 15.427 13.544 11.711 9.851 6.597 5.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.052 44.883 40.354 36.365 32.821 29.644 26.773 24.154 21.748 19.519 17.436 15.474 13.604 11.795 9.981 6.819 6.085 5.263 4.257 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.080 44.910 40.380 36.391 32.847 29.671 26.799 24.182 21.778 19.551 17.474 15.519 13.661 11.872 10.097 6.974 6.294 5.582 4.811 3.937 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.108 44.938 40.407 36.417 32.873 29.696 26.826 24.210 21.807 19.584 17.510 15.562 13.715 11.943 10.202 7.099 6.447 5.781 5.090 4.357 3.558 2.674 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.135 44.965 40.433 36.443 32.898 29.722 26.852 24.237 21.836 19.615 17.546 15.603 13.766 12.009 10.297 7.206 6.573 5.933 5.282 4.610 3.908 3.162 2.363 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.163 44.992 40.460 36.468 32.923 29.748 26.878 24.264 21.865 19.646 17.580 15.643 13.814 12.071 10.382 7.301 6.681 6.059 5.432 4.795 4.142 3.467 2.762 2.023 1.248 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.190 45.019 40.486 36.494 32.949 29.773 26.904 24.291 21.893 19.677 17.614 15.682 13.860 12.128 10.460 7.387 6.778 6.169 5.559 4.944 4.321 3.686 3.035 2.364 1.671 0.956 0.224 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.217 45.046 40.512 36.519 32.974 29.798 26.929 24.317 21.920 19.706 17.647 15.719 13.903 12.181 10.530 7.466 6.865 6.267 5.669 5.070 4.468 3.859 3.242 2.613 1.972 1.316 0.648 -0.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.244 45.072 40.538 36.544 32.999 29.823 26.954 24.343 21.948 19.736 17.679 15.755 13.945 12.231 10.593 7.540 6.946 6.356 5.768 5.181 4.594 4.004 3.410 2.809 2.202 1.586 0.963 0.333 -0.301 -0.934 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.271 45.099 40.563 36.570 33.023 29.847 26.979 24.369 21.975 19.765 17.711 15.790 13.985 12.277 10.651 7.609 7.021 6.437 5.858 5.281 4.705 4.129 3.552 2.972 2.388 1.800 1.208 0.612 0.015 -0.583 -1.177 99999.999 99999.999 99999.999 99999.999 99999.999 50.298 45.125 40.589 36.595 33.048 29.872 27.004 24.394 22.001 19.793 17.741 15.824 14.023 12.321 10.703 7.674 7.091 6.514 5.941 5.372 4.806 4.241 3.676 3.112 2.546 1.978 1.409 0.838 0.267 -0.303 -0.870 -1.431 -1.984 99999.999 99999.999 99999.999 50.325 45.152 40.615 36.619 33.072 29.896 27.028 24.419 22.028 19.821 17.771 15.857 14.060 12.363 10.752 7.735 7.157 6.585 6.018 5.456 4.897 4.342 3.788 3.235 2.683 2.131 1.579 1.027 0.476 -0.073 -0.618 -1.159 -1.692 -2.216 99999.999 99999.999 50.351 45.178 40.640 36.644 33.097 29.920 27.053 24.444 22.054 19.848 17.801 15.890 14.095 12.403 10.797 7.794 7.220 6.652 6.091 5.534 4.982 4.434 3.889 3.346 2.804 2.265 1.726 1.190 0.655 0.122 -0.407 -0.931 -1.448 -1.957 -2.456 -2.944 50.378 45.204 40.665 36.669 33.121 29.944 27.077 24.469 22.080 19.876 17.830 15.921 14.130 12.441 10.840 7.850 7.280 6.716 6.159 5.608 5.061 4.520 3.981 3.447 2.914 2.385 1.858 1.333 0.810 0.291 -0.224 -0.735 -1.239 -1.736 -2.224 -2.702 50.639 45.460 40.912 36.908 33.355 30.176 27.309 24.705 22.323 20.130 18.100 16.210 14.442 12.782 11.214 8.316 7.768 7.230 6.701 6.180 5.667 5.162 4.663 4.171 3.685 3.206 2.732 2.263 1.800 1.343 0.890 0.443 0.001 -0.435 -0.866 -1.292 50.892 45.707 41.151 37.138 33.579 30.396 27.527 24.924 22.547 20.361 18.340 16.463 14.711 13.068 11.522 8.676 8.142 7.617 7.102 6.596 6.099 5.611 5.130 4.657 4.192 3.733 3.281 2.835 2.395 1.962 1.534 1.111 0.695 0.283 -0.123 -0.525 51.139 45.947 41.382 37.361 33.794 30.606 27.735 25.132 22.755 20.574 18.560 16.691 14.949 13.319 11.788 8.978 8.451 7.935 7.430 6.933 6.446 5.968 5.499 5.037 4.583 4.137 3.697 3.265 2.839 2.419 2.005 1.597 1.195 0.798 0.407 0.020 51.381 46.182 41.607 37.577 34.003 30.809 27.935 25.329 22.953 20.774 18.764 16.901 15.167 13.546 12.025 9.241 8.720 8.210 7.711 7.221 6.741 6.270 5.808 5.354 4.908 4.470 4.039 3.615 3.198 2.787 2.383 1.985 1.592 1.206 0.824 0.448 51.620 46.413 41.827 37.787 34.206 31.006 28.127 25.519 23.142 20.963 18.956 17.097 15.368 13.754 12.241 9.476 8.959 8.454 7.959 7.474 6.999 6.533 6.076 5.628 5.188 4.756 4.331 3.913 3.503 3.099 2.701 2.310 1.924 1.545 1.171 0.802 51.856 46.639 42.042 37.993 34.404 31.198 28.314 25.703 23.324 21.145 19.138 17.282 15.557 13.947 12.440 9.689 9.176 8.674 8.183 7.702 7.231 6.769 6.316 5.872 5.436 5.008 4.588 4.175 3.769 3.370 2.977 2.591 2.211 1.836 1.468 1.104 52.089 46.863 42.255 38.196 34.598 31.386 28.497 25.881 23.500 21.319 19.313 17.458 15.735 14.129 12.626 9.887 9.376 8.877 8.388 7.910 7.441 6.983 6.533 6.092 5.659 5.235 4.818 4.409 4.006 3.611 3.222 2.840 2.464 2.093 1.729 1.369 99999.999 47.085 42.464 38.395 34.789 31.569 28.675 26.055 23.671 21.488 19.481 17.626 15.905 14.301 12.802 10.070 9.562 9.064 8.578 8.102 7.636 7.179 6.732 6.294 5.864 5.442 5.028 4.621 4.222 3.829 3.443 3.064 2.691 2.323 1.962 1.605 H3PO4,aq H3PO4(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 2 2.000 1 1.000 27 -9.393 -9.375 -9.480 -9.656 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.393 -9.375 -9.480 -9.656 -9.880 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.392 -9.374 -9.479 -9.655 -9.879 -10.144 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.390 -9.372 -9.477 -9.653 -9.878 -10.142 -10.442 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.387 -9.369 -9.474 -9.650 -9.875 -10.139 -10.439 -10.775 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.382 -9.364 -9.469 -9.645 -9.870 -10.134 -10.434 -10.769 -11.143 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.374 -9.356 -9.462 -9.638 -9.862 -10.127 -10.426 -10.761 -11.133 -11.553 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.363 -9.346 -9.451 -9.627 -9.852 -10.116 -10.415 -10.749 -11.120 -11.537 -12.017 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.347 -9.331 -9.437 -9.613 -9.838 -10.101 -10.399 -10.732 -11.101 -11.515 -11.990 -12.554 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-8.033 -8.246 -8.471 -8.708 -9.216 -9.325 -9.438 -9.555 -9.675 -9.799 -9.927 -10.059 -10.197 -10.339 -10.487 -10.640 -10.799 -10.962 -11.128 -11.297 -11.466 -11.633 99999.999 99999.999 99999.999 -6.932 -6.823 -6.810 -6.850 -6.927 -7.029 -7.153 -7.294 -7.452 -7.624 -7.809 -8.008 -8.218 -8.439 -8.671 -9.171 -9.278 -9.388 -9.501 -9.617 -9.737 -9.860 -9.987 -10.119 -10.254 -10.394 -10.538 -10.685 -10.837 -10.990 -11.146 -11.302 -11.457 -11.610 99999.999 99999.999 -6.912 -6.804 -6.791 -6.832 -6.908 -7.011 -7.134 -7.275 -7.432 -7.602 -7.786 -7.983 -8.190 -8.408 -8.636 -9.127 -9.232 -9.340 -9.450 -9.563 -9.679 -9.798 -9.921 -10.047 -10.176 -10.310 -10.446 -10.586 -10.728 -10.873 -11.019 -11.165 -11.311 -11.454 -11.594 -11.730 -6.893 -6.784 -6.772 -6.813 -6.890 -6.993 -7.116 -7.256 -7.412 -7.581 -7.764 -7.958 -8.163 -8.378 -8.603 -9.086 -9.189 -9.293 -9.401 -9.511 -9.624 -9.740 -9.858 -9.980 -10.105 -10.232 -10.363 -10.496 -10.632 -10.769 -10.908 -11.046 -11.185 -11.321 -11.455 -11.585 -6.704 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-8.374 -8.432 -8.490 -8.549 PO4-3 PO4(-3) P-T:All Charge =-3. Radius(Å) = 5.00 Alk. = 2.000 Ref: Shock07 2 -1.000 1 1.000 27 12.614 12.322 12.172 12.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.614 12.322 12.172 12.112 12.118 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.613 12.321 12.171 12.111 12.117 12.174 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.559 12.268 12.120 12.061 12.067 12.124 12.223 12.359 12.531 12.738 12.987 13.288 13.657 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.536 12.246 12.098 12.041 12.047 12.103 12.202 12.338 12.507 12.712 12.956 13.249 13.606 14.048 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.508 12.218 12.071 12.014 12.021 12.077 12.175 12.310 12.478 12.679 12.918 13.201 13.543 13.964 14.509 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.486 12.197 12.051 11.994 12.001 12.057 12.155 12.288 12.455 12.654 12.888 13.165 13.495 13.900 14.447 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.454 12.166 12.021 11.965 11.972 12.029 12.126 12.258 12.422 12.618 12.848 13.115 13.430 13.811 14.329 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.423 12.136 11.992 11.936 11.944 12.001 12.097 12.228 12.391 12.584 12.808 13.067 13.369 13.727 14.208 13.279 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.392 12.106 11.963 11.908 11.916 11.973 12.069 12.199 12.360 12.550 12.769 13.021 13.310 13.648 14.091 13.995 13.781 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.362 12.076 11.934 11.880 11.889 11.945 12.041 12.170 12.329 12.517 12.732 12.977 13.254 13.574 13.981 14.116 14.105 14.021 13.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.332 12.046 11.905 11.852 11.862 11.918 12.013 12.141 12.299 12.484 12.696 12.934 13.202 13.505 13.880 14.133 14.184 14.202 14.184 14.153 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.302 12.017 11.877 11.825 11.835 11.891 11.986 12.113 12.269 12.452 12.660 12.893 13.152 13.441 13.786 14.116 14.192 14.253 14.293 14.314 14.329 14.371 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.272 11.988 11.849 11.798 11.808 11.865 11.959 12.085 12.240 12.421 12.626 12.854 13.104 13.381 13.702 14.085 14.174 14.254 14.323 14.379 14.424 14.468 14.527 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.243 11.959 11.821 11.771 11.781 11.838 11.932 12.058 12.212 12.391 12.592 12.816 13.060 13.325 13.625 14.047 14.143 14.233 14.317 14.393 14.461 14.522 14.584 14.655 14.745 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.214 11.931 11.793 11.744 11.755 11.812 11.906 12.031 12.184 12.361 12.560 12.779 13.017 13.273 13.556 14.007 14.105 14.202 14.294 14.381 14.463 14.539 14.612 14.685 14.764 14.852 14.955 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.185 11.902 11.766 11.717 11.729 11.786 11.880 12.004 12.156 12.331 12.528 12.744 12.976 13.225 13.493 13.964 14.065 14.164 14.261 14.355 14.445 14.531 14.614 14.695 14.775 14.858 14.946 15.041 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.156 11.874 11.739 11.691 11.703 11.761 11.854 11.978 12.128 12.302 12.497 12.709 12.938 13.180 13.438 13.922 14.023 14.124 14.223 14.321 14.416 14.509 14.599 14.686 14.772 14.857 14.942 15.030 15.119 15.210 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.128 11.847 11.712 11.665 11.678 11.735 11.829 11.952 12.101 12.274 12.466 12.676 12.901 13.138 13.387 13.879 13.980 14.082 14.183 14.283 14.381 14.478 14.573 14.665 14.756 14.845 14.932 15.019 15.105 15.191 15.274 99999.999 99999.999 99999.999 99999.999 99999.999 12.100 11.819 11.685 11.639 11.652 11.710 11.803 11.926 12.075 12.245 12.436 12.644 12.865 13.099 13.342 13.836 13.938 14.039 14.141 14.242 14.342 14.442 14.540 14.636 14.730 14.823 14.913 15.002 15.089 15.174 15.256 15.335 15.408 99999.999 99999.999 99999.999 12.072 11.792 11.659 11.613 11.627 11.685 11.778 11.901 12.048 12.218 12.407 12.612 12.831 13.061 13.301 13.794 13.895 13.997 14.098 14.200 14.301 14.402 14.502 14.601 14.698 14.793 14.887 14.979 15.068 15.155 15.238 15.318 15.392 15.461 99999.999 99999.999 12.044 11.764 11.632 11.588 11.602 11.661 11.754 11.876 12.022 12.191 12.378 12.581 12.798 13.026 13.262 13.753 13.853 13.954 14.056 14.157 14.259 14.361 14.462 14.562 14.661 14.759 14.855 14.949 15.041 15.130 15.216 15.298 15.375 15.447 15.513 15.570 12.017 11.737 11.606 11.562 11.577 11.636 11.729 11.851 11.997 12.164 12.350 12.551 12.766 12.991 13.225 13.712 13.812 13.912 14.013 14.115 14.216 14.318 14.420 14.521 14.621 14.721 14.819 14.915 15.009 15.101 15.189 15.274 15.355 15.431 15.500 15.563 11.753 11.477 11.355 11.318 11.339 11.402 11.495 11.614 11.755 11.913 12.087 12.274 12.472 12.680 12.894 13.341 13.433 13.526 13.619 13.714 13.809 13.904 14.001 14.098 14.196 14.294 14.392 14.491 14.590 14.689 14.787 14.885 14.983 15.079 15.175 15.268 11.507 11.233 11.117 11.089 11.116 11.182 11.278 11.397 11.534 11.687 11.853 12.030 12.217 12.411 12.612 13.028 13.113 13.199 13.285 13.372 13.460 13.548 13.637 13.727 13.817 13.908 13.999 14.091 14.184 14.277 14.370 14.464 14.558 14.653 14.747 14.842 11.275 11.000 10.892 10.871 10.904 10.976 11.074 11.194 11.330 11.480 11.640 11.811 11.989 12.174 12.364 12.755 12.835 12.916 12.997 13.078 13.160 13.243 13.326 13.409 13.493 13.577 13.662 13.748 13.834 13.920 14.007 14.095 14.183 14.272 14.361 14.450 11.054 10.778 10.676 10.662 10.702 10.779 10.881 11.002 11.139 11.286 11.444 11.609 11.781 11.959 12.140 12.514 12.590 12.666 12.743 12.820 12.897 12.975 13.053 13.132 13.211 13.290 13.370 13.450 13.530 13.612 13.693 13.775 13.858 13.941 14.024 14.108 10.841 10.564 10.469 10.462 10.508 10.590 10.696 10.820 10.957 11.105 11.260 11.422 11.590 11.761 11.937 12.296 12.368 12.441 12.515 12.588 12.662 12.736 12.810 12.885 12.960 13.035 13.111 13.187 13.263 13.340 13.417 13.495 13.572 13.651 13.729 13.809 10.635 10.357 10.268 10.268 10.320 10.407 10.518 10.645 10.784 10.932 11.086 11.246 11.411 11.578 11.749 12.096 12.166 12.236 12.307 12.378 12.449 12.520 12.591 12.663 12.735 12.807 12.879 12.952 13.025 13.098 13.171 13.245 13.319 13.394 13.469 13.544 10.435 10.156 10.072 10.080 10.139 10.231 10.346 10.476 10.617 10.766 10.921 11.080 11.242 11.407 11.574 11.912 11.980 12.048 12.116 12.185 12.254 12.322 12.391 12.460 12.530 12.599 12.669 12.739 12.809 12.879 12.950 13.021 13.092 13.164 13.235 13.308 99999.999 9.959 9.882 9.896 9.962 10.059 10.179 10.313 10.457 10.607 10.763 10.921 11.082 11.245 11.409 11.740 11.806 11.873 11.939 12.006 12.073 12.140 12.207 12.274 12.341 12.409 12.476 12.544 12.612 12.680 12.748 12.817 12.886 12.955 13.024 13.094 H4P2O7,aq H4P2O7 P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 3 4.000 1 2.000 27 -1.000 2 -15.671 -15.956 -16.481 -17.132 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.671 -15.956 -16.481 -17.132 -17.866 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.669 -15.954 -16.479 -17.130 -17.864 -18.662 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 3 3.000 1 2.000 27 -1.000 2 -14.230 -14.417 -14.827 -15.357 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -14.230 -14.417 -14.827 -15.357 -15.965 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -14.228 -14.415 -14.825 -15.356 -15.964 -16.632 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-3.682 -4.137 -4.636 -5.148 -5.662 -6.171 -6.672 -7.163 -7.644 -8.115 -8.576 -9.028 -9.472 -9.907 -10.754 -10.920 -11.085 -11.249 -11.411 -11.573 -11.734 -11.894 -12.053 -12.212 -12.370 -12.527 -12.683 -12.839 -12.994 -13.148 -13.302 -13.456 -13.609 -13.761 -13.913 -3.120 -3.446 -3.906 -4.412 -4.931 -5.451 -5.964 -6.467 -6.959 -7.440 -7.910 -8.369 -8.817 -9.256 -9.685 -10.517 -10.680 -10.841 -11.001 -11.160 -11.318 -11.475 -11.631 -11.786 -11.940 -12.093 -12.246 -12.398 -12.548 -12.699 -12.848 -12.997 -13.145 -13.293 -13.440 -13.587 -2.898 -3.219 -3.685 -4.197 -4.723 -5.247 -5.765 -6.271 -6.766 -7.248 -7.717 -8.174 -8.619 -9.054 -9.479 -10.300 -10.460 -10.619 -10.776 -10.932 -11.087 -11.241 -11.394 -11.546 -11.697 -11.846 -11.995 -12.143 -12.291 -12.437 -12.583 -12.728 -12.872 -13.016 -13.159 -13.301 -2.687 -3.002 -3.472 -3.990 -4.521 -5.051 -5.573 -6.083 -6.580 -7.063 -7.533 -7.989 -8.433 -8.865 -9.286 -10.099 -10.257 -10.413 -10.569 -10.723 -10.875 -11.027 -11.177 -11.327 -11.475 -11.622 -11.768 -11.914 -12.058 -12.202 -12.344 -12.486 -12.627 -12.768 -12.908 -13.047 99999.999 -2.792 -3.265 -3.790 -4.327 -4.862 -5.388 -5.902 -6.401 -6.886 -7.357 -7.813 -8.256 -8.686 -9.105 -9.911 -10.067 -10.222 -10.376 -10.528 -10.679 -10.829 -10.978 -11.125 -11.271 -11.416 -11.560 -11.703 -11.846 -11.987 -12.127 -12.267 -12.406 -12.544 -12.681 -12.818 P2O7-4 P2O7-4 P-T:All Charge =-4. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 2 2.000 27 -1.000 2 4.285 3.835 3.462 3.146 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.285 3.835 3.462 3.146 2.875 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.286 3.836 3.462 3.146 2.876 2.642 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.287 3.837 3.463 3.147 2.877 2.643 2.440 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.290 3.839 3.465 3.149 2.878 2.645 2.441 2.263 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.293 3.843 3.468 3.152 2.881 2.647 2.444 2.265 2.109 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.299 3.848 3.473 3.156 2.885 2.651 2.447 2.269 2.112 1.973 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.307 3.855 3.480 3.162 2.891 2.656 2.452 2.273 2.116 1.977 1.855 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.317 3.865 3.489 3.171 2.899 2.664 2.459 2.280 2.122 1.983 1.860 1.752 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.332 3.878 3.501 3.182 2.909 2.674 2.468 2.289 2.131 1.991 1.868 1.759 1.660 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.351 3.895 3.517 3.197 2.923 2.686 2.481 2.300 2.142 2.002 1.877 1.768 1.669 1.573 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.375 3.917 3.537 3.216 2.941 2.703 2.496 2.315 2.156 2.015 1.890 1.779 1.680 1.587 1.471 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.393 3.934 3.552 3.230 2.954 2.716 2.508 2.326 2.166 2.025 1.899 1.788 1.688 1.597 1.502 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.419 3.958 3.574 3.251 2.973 2.734 2.525 2.343 2.182 2.039 1.913 1.801 1.700 1.609 1.525 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.445 3.981 3.596 3.271 2.993 2.752 2.542 2.359 2.197 2.054 1.927 1.813 1.712 1.619 1.539 0.608 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.471 4.005 3.618 3.291 3.012 2.770 2.559 2.375 2.212 2.068 1.940 1.826 1.723 1.630 1.548 1.070 0.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.496 4.028 3.640 3.311 3.030 2.788 2.576 2.391 2.227 2.082 1.954 1.838 1.734 1.640 1.557 1.193 1.071 0.895 0.657 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.521 4.051 3.661 3.331 3.049 2.805 2.593 2.406 2.242 2.097 1.967 1.851 1.746 1.650 1.565 1.259 1.175 1.068 0.928 0.755 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.545 4.074 3.682 3.351 3.068 2.823 2.609 2.422 2.257 2.111 1.980 1.863 1.757 1.660 1.573 1.302 1.236 1.158 1.062 0.946 0.809 0.657 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.570 4.096 3.703 3.371 3.086 2.840 2.625 2.437 2.272 2.125 1.994 1.876 1.769 1.671 1.581 1.335 1.279 1.216 1.142 1.056 0.956 0.841 0.717 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.594 4.118 3.724 3.390 3.104 2.857 2.642 2.453 2.286 2.138 2.007 1.888 1.781 1.681 1.590 1.362 1.313 1.258 1.197 1.128 1.049 0.961 0.863 0.757 0.648 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.617 4.141 3.744 3.409 3.122 2.874 2.658 2.468 2.301 2.152 2.020 1.901 1.792 1.692 1.599 1.385 1.340 1.291 1.238 1.179 1.115 1.043 0.963 0.877 0.785 0.689 0.594 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.641 4.162 3.765 3.428 3.140 2.891 2.674 2.483 2.315 2.166 2.033 1.913 1.804 1.703 1.609 1.406 1.363 1.318 1.270 1.219 1.163 1.102 1.036 0.963 0.886 0.804 0.720 0.634 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.664 4.184 3.785 3.447 3.158 2.908 2.690 2.498 2.329 2.180 2.046 1.925 1.816 1.715 1.620 1.424 1.384 1.342 1.298 1.251 1.202 1.148 1.091 1.029 0.963 0.892 0.819 0.743 0.665 0.587 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.687 4.205 3.805 3.466 3.176 2.924 2.705 2.513 2.344 2.193 2.059 1.938 1.828 1.726 1.631 1.441 1.402 1.363 1.321 1.278 1.233 1.185 1.134 1.080 1.022 0.961 0.897 0.829 0.760 0.689 0.618 99999.999 99999.999 99999.999 99999.999 99999.999 4.710 4.227 3.825 3.485 3.193 2.941 2.721 2.528 2.358 2.207 2.072 1.950 1.840 1.738 1.642 1.457 1.419 1.381 1.342 1.302 1.260 1.216 1.170 1.122 1.070 1.016 0.959 0.899 0.837 0.774 0.709 0.642 0.575 99999.999 99999.999 99999.999 4.732 4.248 3.844 3.503 3.211 2.957 2.737 2.543 2.372 2.220 2.084 1.962 1.852 1.749 1.654 1.472 1.435 1.399 1.361 1.323 1.284 1.243 1.200 1.156 1.110 1.061 1.010 0.956 0.901 0.844 0.785 0.724 0.663 0.600 99999.999 99999.999 4.754 4.269 3.864 3.521 3.228 2.974 2.752 2.557 2.386 2.233 2.097 1.975 1.864 1.761 1.666 1.486 1.450 1.415 1.379 1.342 1.305 1.266 1.227 1.186 1.143 1.098 1.052 1.004 0.954 0.902 0.848 0.794 0.737 0.680 0.622 0.563 4.776 4.289 3.883 3.540 3.245 2.990 2.767 2.572 2.400 2.246 2.110 1.987 1.875 1.773 1.677 1.499 1.464 1.430 1.395 1.360 1.324 1.287 1.250 1.211 1.172 1.131 1.088 1.044 0.998 0.951 0.902 0.852 0.801 0.748 0.695 0.641 4.985 4.487 4.070 3.715 3.410 3.147 2.916 2.713 2.534 2.375 2.233 2.105 1.990 1.885 1.788 1.616 1.584 1.552 1.522 1.492 1.462 1.433 1.405 1.376 1.348 1.320 1.293 1.265 1.238 1.211 1.183 1.156 1.129 1.101 1.073 1.046 5.176 4.672 4.244 3.880 3.567 3.295 3.057 2.847 2.662 2.497 2.349 2.217 2.098 1.989 1.890 1.716 1.684 1.653 1.623 1.594 1.565 1.537 1.510 1.484 1.458 1.433 1.408 1.384 1.360 1.337 1.315 1.292 1.270 1.249 1.228 1.207 5.353 4.845 4.409 4.037 3.715 3.436 3.191 2.975 2.784 2.614 2.462 2.325 2.201 2.089 1.987 1.808 1.776 1.744 1.714 1.684 1.656 1.628 1.601 1.575 1.549 1.524 1.500 1.477 1.454 1.432 1.410 1.389 1.369 1.349 1.329 1.310 5.518 5.009 4.567 4.186 3.857 3.571 3.320 3.098 2.902 2.727 2.570 2.428 2.301 2.185 2.080 1.896 1.863 1.830 1.799 1.769 1.740 1.712 1.684 1.657 1.632 1.606 1.582 1.559 1.536 1.513 1.492 1.471 1.451 1.431 1.412 1.393 5.674 5.165 4.717 4.330 3.994 3.701 3.444 3.217 3.016 2.836 2.674 2.529 2.398 2.278 2.170 1.980 1.946 1.913 1.881 1.850 1.820 1.791 1.763 1.736 1.709 1.684 1.659 1.635 1.611 1.589 1.567 1.545 1.525 1.505 1.485 1.467 5.822 5.314 4.862 4.468 4.126 3.827 3.565 3.332 3.126 2.941 2.776 2.626 2.491 2.369 2.257 2.062 2.027 1.993 1.960 1.928 1.898 1.868 1.839 1.811 1.784 1.757 1.732 1.707 1.683 1.660 1.637 1.616 1.594 1.574 1.554 1.535 5.962 5.457 5.001 4.602 4.254 3.950 3.682 3.444 3.233 3.044 2.874 2.721 2.583 2.457 2.343 2.142 2.106 2.071 2.037 2.004 1.973 1.942 1.912 1.883 1.856 1.829 1.802 1.777 1.752 1.728 1.705 1.683 1.661 1.640 1.620 1.600 99999.999 5.596 5.137 4.733 4.379 4.069 3.795 3.553 3.337 3.144 2.971 2.814 2.672 2.543 2.426 2.220 2.183 2.147 2.112 2.078 2.046 2.014 1.984 1.954 1.926 1.898 1.871 1.845 1.820 1.795 1.771 1.748 1.726 1.704 1.683 1.663 PbCl+ PbCl(+) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 2 1.000 17 1.000 3 -1.410 -1.437 -1.530 -1.658 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.410 -1.437 -1.530 -1.658 -1.813 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.410 -1.437 -1.529 -1.658 -1.813 -1.989 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.410 -1.437 -1.529 -1.658 -1.813 -1.989 -2.186 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.409 -1.436 -1.529 -1.657 -1.812 -1.988 -2.185 -2.402 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.408 -1.436 -1.528 -1.656 -1.811 -1.987 -2.183 -2.400 -2.640 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.407 -1.434 -1.527 -1.655 -1.809 -1.985 -2.181 -2.397 -2.636 -2.903 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.405 -1.433 -1.525 -1.653 -1.807 -1.982 -2.177 -2.393 -2.631 -2.897 -3.201 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.402 -1.430 -1.522 -1.650 -1.804 -1.979 -2.173 -2.387 -2.624 -2.887 -3.188 -3.542 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-1.400 -1.491 -1.615 -1.763 -1.930 -2.114 -2.314 -2.532 -2.768 -3.027 -3.315 -3.639 -4.018 -4.515 -5.000 -5.226 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.365 -1.396 -1.486 -1.610 -1.757 -1.923 -2.105 -2.303 -2.518 -2.751 -3.004 -3.283 -3.594 -3.952 -4.406 -4.917 -5.095 -5.315 -5.667 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.361 -1.392 -1.481 -1.605 -1.751 -1.915 -2.096 -2.292 -2.504 -2.734 -2.982 -3.253 -3.553 -3.891 -4.308 -4.840 -5.004 -5.185 -5.401 -5.695 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.357 -1.388 -1.477 -1.600 -1.745 -1.908 -2.087 -2.281 -2.491 -2.717 -2.961 -3.225 -3.514 -3.835 -4.220 -4.768 -4.924 -5.090 -5.272 -5.484 -5.747 -6.092 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.353 -1.384 -1.473 -1.595 -1.739 -1.902 -2.079 -2.271 -2.478 -2.701 -2.941 -3.199 -3.478 -3.785 -4.141 -4.702 -4.851 -5.007 -5.174 -5.356 -5.562 -5.806 -6.101 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.350 -1.380 -1.469 -1.590 -1.734 -1.895 -2.071 -2.261 -2.466 -2.686 -2.922 -3.174 -3.445 -3.738 -4.072 -4.642 -4.784 -4.933 -5.089 -5.256 -5.436 -5.637 -5.865 -6.128 -6.432 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.347 -1.377 -1.465 -1.586 -1.729 -1.888 -2.063 -2.252 -2.454 -2.671 -2.903 -3.150 -3.413 -3.696 -4.010 -4.585 -4.722 -4.864 -5.013 -5.169 -5.335 -5.513 -5.708 -5.923 -6.163 -6.429 -6.720 99999.999 99999.999 99999.999 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-4.764 -4.896 -5.032 -5.173 -5.318 -5.469 -5.625 -5.788 -5.957 -6.131 -6.312 -6.496 -6.684 -6.873 -7.060 99999.999 99999.999 99999.999 -1.334 -1.362 -1.448 -1.565 -1.704 -1.859 -2.027 -2.208 -2.400 -2.605 -2.821 -3.048 -3.286 -3.535 -3.794 -4.348 -4.466 -4.587 -4.712 -4.839 -4.971 -5.106 -5.245 -5.389 -5.538 -5.691 -5.849 -6.011 -6.178 -6.347 -6.519 -6.692 -6.864 -7.034 99999.999 99999.999 -1.332 -1.360 -1.445 -1.562 -1.700 -1.853 -2.020 -2.199 -2.390 -2.592 -2.806 -3.030 -3.265 -3.509 -3.764 -4.307 -4.423 -4.541 -4.662 -4.786 -4.913 -5.044 -5.178 -5.316 -5.458 -5.604 -5.753 -5.907 -6.063 -6.222 -6.382 -6.543 -6.704 -6.862 -7.017 -7.167 -1.331 -1.357 -1.442 -1.558 -1.695 -1.848 -2.014 -2.191 -2.380 -2.581 -2.792 -3.013 -3.245 -3.485 -3.736 -4.269 -4.381 -4.497 -4.615 -4.735 -4.859 -4.986 -5.115 -5.249 -5.385 -5.525 -5.667 -5.813 -5.962 -6.112 -6.264 -6.416 -6.567 -6.717 -6.864 -7.007 -1.325 -1.342 -1.420 -1.529 -1.659 -1.803 -1.958 -2.123 -2.296 -2.478 -2.668 -2.866 -3.071 -3.282 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Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 2 1.000 17 2.000 3 -1.944 -2.003 -2.160 -2.373 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.944 -2.003 -2.160 -2.373 -2.627 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.943 -2.002 -2.160 -2.373 -2.626 -2.913 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.917 -1.978 -2.136 -2.348 -2.599 -2.882 -3.196 -3.542 -3.924 -4.351 -4.839 -5.416 -6.134 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.907 -1.969 -2.126 -2.338 -2.587 -2.869 -3.181 -3.524 -3.902 -4.323 -4.801 -5.361 -6.049 -6.960 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.894 -1.957 -2.114 -2.325 -2.573 -2.853 -3.162 -3.502 -3.875 -4.288 -4.754 -5.295 -5.947 -6.787 -8.096 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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Charge =-1. 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-6.191 PbCl4-2 PbCl4(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 2 1.000 17 4.000 3 -1.502 -1.430 -1.509 -1.677 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.502 -1.430 -1.509 -1.677 -1.911 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.501 -1.429 -1.508 -1.676 -1.910 -2.198 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-1.176 -1.262 -1.432 -1.663 -1.940 -2.259 -2.617 -3.015 -3.455 -3.944 -4.492 -5.117 -5.856 -6.831 -8.058 -8.703 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.201 -1.143 -1.230 -1.400 -1.630 -1.906 -2.223 -2.578 -2.972 -3.405 -3.883 -4.416 -5.015 -5.712 -6.603 -7.779 -8.215 -8.787 -9.684 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.169 -1.111 -1.198 -1.369 -1.598 -1.873 -2.188 -2.540 -2.929 -3.356 -3.826 -4.343 -4.920 -5.579 -6.397 -7.565 -7.939 -8.370 -8.902 -9.622 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.138 -1.080 -1.168 -1.338 -1.567 -1.841 -2.154 -2.503 -2.888 -3.309 -3.770 -4.274 -4.831 -5.457 -6.212 -7.382 -7.723 -8.097 -8.521 -9.023 -9.651 -10.455 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.108 -1.050 -1.138 -1.308 -1.536 -1.809 -2.120 -2.466 -2.847 -3.263 -3.716 -4.209 -4.748 -5.345 -6.046 -7.220 -7.538 -7.879 -8.251 -8.667 -9.145 -9.713 -10.395 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.078 -1.021 -1.108 -1.279 -1.507 -1.778 -2.087 -2.431 -2.808 -3.218 -3.664 -4.146 -4.669 -5.242 -5.897 -7.074 -7.374 -7.692 -8.032 -8.401 -8.808 -9.265 -9.788 -10.389 -11.074 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.050 -0.992 -1.080 -1.250 -1.477 -1.748 -2.055 -2.396 -2.769 -3.175 -3.614 -4.086 -4.595 -5.147 -5.764 -6.940 -7.225 -7.526 -7.843 -8.182 -8.547 -8.944 -9.381 -9.867 -10.409 -11.008 -11.658 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.023 -0.964 -1.052 -1.222 -1.448 -1.718 -2.023 -2.362 -2.732 -3.133 -3.565 -4.029 -4.526 -5.059 -5.645 -6.815 -7.089 -7.375 -7.675 -7.992 -8.328 -8.687 -9.073 -9.492 -9.948 -10.443 -10.977 -11.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.997 -0.937 -1.024 -1.194 -1.420 -1.689 -1.992 -2.328 -2.695 -3.092 -3.518 -3.974 -4.460 -4.978 -5.538 -6.699 -6.962 -7.237 -7.523 -7.822 -8.137 -8.469 -8.822 -9.198 -9.599 -10.028 -10.485 -10.968 -11.474 -11.996 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.972 -0.911 -0.998 -1.167 -1.393 -1.660 -1.962 -2.295 -2.659 -3.051 -3.473 -3.922 -4.398 -4.903 -5.443 -6.589 -6.844 -7.108 -7.382 -7.668 -7.966 -8.278 -8.606 -8.951 -9.316 -9.700 -10.105 -10.530 -10.973 -11.429 -11.894 99999.999 99999.999 99999.999 99999.999 99999.999 -0.947 -0.885 -0.971 -1.141 -1.365 -1.632 -1.932 -2.263 -2.624 -3.012 -3.428 -3.871 -4.339 -4.834 -5.357 -6.486 -6.733 -6.988 -7.252 -7.526 -7.810 -8.106 -8.415 -8.738 -9.075 -9.428 -9.796 -10.180 -10.577 -10.985 -11.401 -11.821 -12.238 99999.999 99999.999 99999.999 -0.924 -0.860 -0.946 -1.115 -1.339 -1.604 -1.903 -2.232 -2.589 -2.974 -3.385 -3.822 -4.283 -4.768 -5.280 -6.387 -6.627 -6.875 -7.130 -7.393 -7.666 -7.949 -8.243 -8.548 -8.865 -9.194 -9.535 -9.888 -10.252 -10.624 -11.004 -11.386 -11.769 -12.146 99999.999 99999.999 -0.901 -0.835 -0.921 -1.089 -1.313 -1.577 -1.874 -2.201 -2.556 -2.937 -3.344 -3.775 -4.229 -4.707 -5.208 -6.294 -6.527 -6.767 -7.015 -7.269 -7.532 -7.804 -8.085 -8.375 -8.676 -8.986 -9.307 -9.636 -9.975 -10.321 -10.672 -11.026 -11.380 -11.732 -12.077 -12.413 -0.879 -0.811 -0.896 -1.064 -1.287 -1.550 -1.846 -2.171 -2.523 -2.900 -3.303 -3.729 -4.177 -4.648 -5.140 -6.204 -6.432 -6.666 -6.906 -7.153 -7.407 -7.669 -7.939 -8.217 -8.504 -8.799 -9.103 -9.414 -9.733 -10.058 -10.387 -10.719 -11.051 -11.382 -11.707 -12.026 -0.701 -0.603 -0.677 -0.839 -1.054 -1.308 -1.591 -1.897 -2.226 -2.574 -2.940 -3.324 -3.724 -4.139 -4.568 -5.471 -5.659 -5.850 -6.044 -6.241 -6.441 -6.645 -6.852 -7.063 -7.277 -7.494 -7.715 -7.939 -8.166 -8.395 -8.627 -8.860 -9.096 -9.332 -9.568 -9.805 -0.586 -0.443 -0.499 -0.651 -0.858 -1.102 -1.374 -1.666 -1.976 -2.302 -2.642 -2.995 -3.360 -3.736 -4.122 -4.922 -5.086 -5.253 -5.421 -5.591 -5.763 -5.936 -6.112 -6.290 -6.469 -6.651 -6.835 -7.021 -7.208 -7.398 -7.589 -7.783 -7.977 -8.173 -8.371 -8.569 -0.520 -0.321 -0.354 -0.492 -0.690 -0.925 -1.186 -1.467 -1.762 -2.070 -2.389 -2.718 -3.056 -3.402 -3.756 -4.482 -4.630 -4.779 -4.930 -5.082 -5.234 -5.388 -5.544 -5.700 -5.858 -6.018 -6.178 -6.340 -6.504 -6.669 -6.835 -7.002 -7.171 -7.342 -7.513 -7.686 -0.495 -0.230 -0.236 -0.359 -0.546 -0.771 -1.023 -1.293 -1.576 -1.869 -2.171 -2.481 -2.797 -3.119 -3.447 -4.116 -4.252 -4.389 -4.526 -4.664 -4.803 -4.942 -5.083 -5.224 -5.367 -5.510 -5.654 -5.800 -5.946 -6.094 -6.242 -6.392 -6.542 -6.694 -6.847 -7.001 -0.502 -0.165 -0.140 -0.246 -0.421 -0.637 -0.879 -1.139 -1.411 -1.692 -1.980 -2.274 -2.572 -2.875 -3.182 -3.804 -3.930 -4.057 -4.184 -4.311 -4.439 -4.568 -4.697 -4.827 -4.958 -5.089 -5.221 -5.353 -5.487 -5.621 -5.757 -5.893 -6.030 -6.167 -6.306 -6.446 -0.536 -0.121 -0.063 -0.150 -0.312 -0.518 -0.752 -1.003 -1.265 -1.535 -1.811 -2.091 -2.375 -2.661 -2.950 -3.535 -3.652 -3.771 -3.889 -4.008 -4.127 -4.247 -4.367 -4.488 -4.609 -4.730 -4.853 -4.975 -5.099 -5.223 -5.348 -5.473 -5.600 -5.727 -5.855 -5.984 -0.593 -0.094 -0.001 -0.069 -0.217 -0.413 -0.638 -0.880 -1.134 -1.395 -1.660 -1.928 -2.199 -2.471 -2.745 -3.298 -3.409 -3.520 -3.631 -3.743 -3.855 -3.968 -4.080 -4.193 -4.307 -4.421 -4.535 -4.650 -4.765 -4.881 -4.997 -5.115 -5.233 -5.351 -5.470 -5.590 99999.999 -0.082 0.047 0.000 -0.135 -0.320 -0.536 -0.770 -1.016 -1.268 -1.524 -1.782 -2.042 -2.302 -2.563 -3.088 -3.193 -3.298 -3.404 -3.509 -3.615 -3.722 -3.828 -3.935 -4.042 -4.149 -4.257 -4.365 -4.474 -4.583 -4.693 -4.803 -4.914 -5.026 -5.138 -5.251 PbF+ PbF(1) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 2 1.000 17 1.000 23 -2.154 -2.060 -2.054 -2.099 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.154 -2.060 -2.054 -2.099 -2.181 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.154 -2.060 -2.054 -2.099 -2.181 -2.292 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.154 -2.059 -2.053 -2.099 -2.180 -2.292 -2.430 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.153 -2.059 -2.053 -2.098 -2.180 -2.291 -2.429 -2.593 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.152 -2.058 -2.052 -2.097 -2.179 -2.290 -2.427 -2.591 -2.782 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.151 -2.057 -2.051 -2.096 -2.177 -2.288 -2.425 -2.588 -2.778 -2.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.149 -2.055 -2.049 -2.094 -2.175 -2.285 -2.422 -2.584 -2.773 -2.993 -3.253 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.146 -2.053 -2.047 -2.092 -2.172 -2.282 -2.418 -2.579 -2.766 -2.983 -3.241 -3.554 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.142 -2.050 -2.044 -2.088 -2.168 -2.277 -2.412 -2.571 -2.757 -2.971 -3.224 -3.530 -3.910 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.138 -2.046 -2.040 -2.084 -2.163 -2.271 -2.404 -2.562 -2.745 -2.956 -3.203 -3.499 -3.864 -4.336 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.132 -2.041 -2.035 -2.078 -2.157 -2.264 -2.395 -2.550 -2.730 -2.937 -3.177 -3.462 -3.808 -4.250 -4.882 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.127 -2.037 -2.031 -2.074 -2.152 -2.258 -2.388 -2.542 -2.719 -2.923 -3.158 -3.434 -3.767 -4.187 -4.789 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.121 -2.032 -2.026 -2.068 -2.145 -2.250 -2.378 -2.529 -2.704 -2.903 -3.131 -3.397 -3.712 -4.102 -4.653 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.116 -2.027 -2.020 -2.062 -2.139 -2.242 -2.368 -2.517 -2.689 -2.883 -3.106 -3.361 -3.660 -4.023 -4.525 -4.447 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.110 -2.022 -2.015 -2.057 -2.132 -2.234 -2.359 -2.506 -2.674 -2.865 -3.081 -3.328 -3.612 -3.951 -4.407 -4.610 -4.662 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.105 -2.017 -2.010 -2.051 -2.126 -2.226 -2.350 -2.494 -2.660 -2.847 -3.058 -3.296 -3.567 -3.885 -4.299 -4.607 -4.704 -4.801 -4.977 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.100 -2.012 -2.006 -2.046 -2.120 -2.219 -2.341 -2.484 -2.646 -2.830 -3.036 -3.266 -3.526 -3.825 -4.202 -4.568 -4.680 -4.790 -4.910 -5.077 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.095 -2.008 -2.001 -2.041 -2.114 -2.212 -2.332 -2.473 -2.633 -2.814 -3.015 -3.238 -3.487 -3.769 -4.114 -4.521 -4.636 -4.752 -4.872 -5.003 -5.168 -5.397 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.090 -2.004 -1.996 -2.036 -2.108 -2.205 -2.324 -2.462 -2.620 -2.798 -2.994 -3.211 -3.451 -3.718 -4.035 -4.471 -4.587 -4.704 -4.824 -4.949 -5.086 -5.248 -5.451 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.086 -1.999 -1.992 -2.031 -2.102 -2.198 -2.316 -2.452 -2.608 -2.782 -2.975 -3.186 -3.418 -3.672 -3.966 -4.422 -4.536 -4.652 -4.771 -4.894 -5.022 -5.162 -5.321 -5.507 -5.727 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.082 -1.995 -1.988 -2.026 -2.096 -2.191 -2.307 -2.443 -2.596 -2.767 -2.956 -3.162 -3.386 -3.630 -3.904 -4.374 -4.486 -4.600 -4.717 -4.837 -4.962 -5.092 -5.233 -5.387 -5.560 -5.755 -5.972 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.078 -1.992 -1.984 -2.021 -2.091 -2.185 -2.300 -2.433 -2.584 -2.753 -2.938 -3.140 -3.357 -3.592 -3.850 -4.328 -4.438 -4.550 -4.664 -4.782 -4.903 -5.028 -5.159 -5.298 -5.447 -5.610 -5.786 -5.976 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.074 -1.988 -1.980 -2.017 -2.086 -2.179 -2.292 -2.424 -2.573 -2.739 -2.921 -3.118 -3.330 -3.557 -3.802 -4.284 -4.391 -4.501 -4.613 -4.728 -4.845 -4.966 -5.092 -5.222 -5.359 -5.503 -5.656 -5.818 -5.988 -6.163 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.071 -1.984 -1.976 -2.012 -2.080 -2.172 -2.284 -2.415 -2.562 -2.725 -2.904 -3.098 -3.305 -3.525 -3.760 -4.242 -4.347 -4.454 -4.563 -4.675 -4.790 -4.908 -5.028 -5.153 -5.282 -5.416 -5.555 -5.699 -5.849 -6.003 -6.159 99999.999 99999.999 99999.999 99999.999 99999.999 -2.067 -1.981 -1.972 -2.008 -2.075 -2.166 -2.277 -2.406 -2.551 -2.712 -2.888 -3.078 -3.281 -3.496 -3.723 -4.201 -4.303 -4.408 -4.515 -4.625 -4.736 -4.851 -4.968 -5.088 -5.212 -5.339 -5.469 -5.603 -5.740 -5.879 -6.020 -6.160 -6.298 99999.999 99999.999 99999.999 -2.064 -1.977 -1.968 -2.004 -2.070 -2.160 -2.270 -2.397 -2.540 -2.699 -2.873 -3.060 -3.259 -3.469 -3.690 -4.162 -4.262 -4.364 -4.469 -4.576 -4.685 -4.797 -4.911 -5.027 -5.146 -5.268 -5.392 -5.519 -5.647 -5.777 -5.908 -6.038 -6.166 -6.290 99999.999 99999.999 -2.061 -1.974 -1.965 -2.000 -2.065 -2.155 -2.263 -2.389 -2.530 -2.687 -2.858 -3.042 -3.238 -3.444 -3.660 -4.124 -4.222 -4.322 -4.425 -4.529 -4.636 -4.745 -4.856 -4.969 -5.085 -5.202 -5.322 -5.443 -5.566 -5.689 -5.813 -5.936 -6.057 -6.175 -6.288 -6.396 -2.058 -1.971 -1.961 -1.996 -2.061 -2.149 -2.256 -2.380 -2.520 -2.675 -2.843 -3.024 -3.217 -3.420 -3.633 -4.088 -4.184 -4.282 -4.382 -4.484 -4.588 -4.694 -4.803 -4.913 -5.026 -5.140 -5.256 -5.373 -5.491 -5.610 -5.729 -5.847 -5.963 -6.076 -6.186 -6.291 -2.038 -1.946 -1.931 -1.960 -2.018 -2.098 -2.195 -2.307 -2.431 -2.568 -2.715 -2.873 -3.041 -3.216 -3.398 -3.783 -3.863 -3.944 -4.027 -4.111 -4.197 -4.283 -4.371 -4.461 -4.551 -4.643 -4.736 -4.830 -4.925 -5.020 -5.116 -5.213 -5.310 -5.406 -5.502 -5.598 -2.032 -1.930 -1.909 -1.932 -1.984 -2.056 -2.145 -2.246 -2.359 -2.482 -2.613 -2.754 -2.901 -3.056 -3.216 -3.551 -3.621 -3.691 -3.762 -3.834 -3.907 -3.981 -4.056 -4.132 -4.208 -4.286 -4.364 -4.444 -4.524 -4.605 -4.687 -4.770 -4.853 -4.937 -5.022 -5.107 -2.037 -1.922 -1.893 -1.910 -1.956 -2.022 -2.103 -2.196 -2.299 -2.410 -2.529 -2.655 -2.788 -2.926 -3.068 -3.366 -3.427 -3.489 -3.552 -3.615 -3.679 -3.744 -3.809 -3.875 -3.942 -4.009 -4.078 -4.147 -4.216 -4.287 -4.358 -4.430 -4.503 -4.576 -4.650 -4.725 -2.050 -1.920 -1.883 -1.893 -1.933 -1.993 -2.067 -2.153 -2.248 -2.350 -2.458 -2.573 -2.693 -2.817 -2.946 -3.213 -3.268 -3.323 -3.379 -3.436 -3.493 -3.550 -3.608 -3.667 -3.726 -3.786 -3.846 -3.907 -3.969 -4.031 -4.094 -4.158 -4.222 -4.287 -4.353 -4.419 -2.070 -1.924 -1.877 -1.880 -1.914 -1.968 -2.037 -2.116 -2.204 -2.298 -2.398 -2.503 -2.612 -2.725 -2.842 -3.084 -3.134 -3.184 -3.234 -3.285 -3.337 -3.388 -3.441 -3.493 -3.547 -3.600 -3.655 -3.709 -3.765 -3.820 -3.877 -3.934 -3.991 -4.050 -4.108 -4.168 -2.095 -1.931 -1.875 -1.871 -1.899 -1.947 -2.010 -2.084 -2.165 -2.253 -2.345 -2.442 -2.542 -2.646 -2.752 -2.973 -3.018 -3.064 -3.110 -3.156 -3.203 -3.250 -3.298 -3.346 -3.394 -3.443 -3.492 -3.542 -3.592 -3.642 -3.694 -3.745 -3.797 -3.850 -3.904 -3.957 -2.125 -1.941 -1.876 -1.865 -1.887 -1.930 -1.988 -2.056 -2.132 -2.214 -2.299 -2.389 -2.481 -2.577 -2.675 -2.877 -2.919 -2.961 -3.003 -3.045 -3.088 -3.131 -3.175 -3.219 -3.263 -3.307 -3.352 -3.398 -3.444 -3.490 -3.537 -3.584 -3.632 -3.680 -3.729 -3.779 99999.999 -1.954 -1.879 -1.862 -1.878 -1.916 -1.968 -2.032 -2.102 -2.179 -2.259 -2.342 -2.428 -2.516 -2.607 -2.793 -2.831 -2.870 -2.909 -2.948 -2.987 -3.027 -3.067 -3.108 -3.148 -3.190 -3.231 -3.273 -3.315 -3.358 -3.401 -3.445 -3.489 -3.534 -3.579 -3.625 PbF2,aq PbF2(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 2 1.000 17 2.000 23 -3.687 -3.420 -3.321 -3.322 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.687 -3.420 -3.321 -3.322 -3.396 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.687 -3.420 -3.320 -3.321 -3.396 -3.530 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-5.856 -6.476 -7.254 -7.491 -7.741 -8.012 -8.325 -8.722 -9.259 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.552 -3.300 -3.199 -3.189 -3.245 -3.353 -3.506 -3.701 -3.936 -4.211 -4.527 -4.886 -5.293 -5.758 -6.324 -7.138 -7.367 -7.606 -7.860 -8.136 -8.449 -8.823 -9.286 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.543 -3.291 -3.189 -3.179 -3.233 -3.339 -3.490 -3.681 -3.911 -4.181 -4.489 -4.837 -5.227 -5.667 -6.188 -7.028 -7.249 -7.479 -7.720 -7.976 -8.254 -8.563 -8.917 -9.332 -9.817 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.534 -3.282 -3.180 -3.169 -3.222 -3.326 -3.473 -3.661 -3.887 -4.151 -4.452 -4.790 -5.167 -5.585 -6.068 -6.925 -7.137 -7.359 -7.589 -7.832 -8.089 -8.366 -8.668 -9.005 -9.384 -9.809 -10.279 99999.999 99999.999 99999.999 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-6.940 -7.140 -7.346 -7.559 -7.780 -8.009 -8.247 -8.495 -8.752 -9.018 -9.295 -9.580 -9.872 -10.168 -10.464 -10.757 99999.999 99999.999 99999.999 -3.494 -3.243 -3.138 -3.121 -3.167 -3.262 -3.398 -3.570 -3.777 -4.017 -4.288 -4.589 -4.916 -5.269 -5.648 -6.480 -6.661 -6.849 -7.042 -7.241 -7.447 -7.659 -7.879 -8.106 -8.341 -8.584 -8.834 -9.091 -9.354 -9.623 -9.894 -10.165 -10.434 -10.696 99999.999 99999.999 -3.487 -3.236 -3.130 -3.113 -3.157 -3.250 -3.383 -3.553 -3.757 -3.992 -4.259 -4.553 -4.874 -5.220 -5.589 -6.403 -6.579 -6.761 -6.949 -7.142 -7.341 -7.546 -7.757 -7.975 -8.200 -8.431 -8.668 -8.911 -9.158 -9.409 -9.662 -9.915 -10.166 -10.412 -10.649 -10.876 -3.481 -3.229 -3.122 -3.104 -3.147 -3.238 -3.370 -3.536 -3.737 -3.968 -4.230 -4.519 -4.834 -5.172 -5.534 -6.329 -6.501 -6.678 -6.860 -7.047 -7.240 -7.438 -7.643 -7.853 -8.068 -8.290 -8.516 -8.748 -8.983 -9.221 -9.460 -9.700 -9.937 -10.170 -10.397 -10.615 -3.434 -3.172 -3.056 -3.027 -3.058 -3.133 -3.245 -3.388 -3.559 -3.757 -3.978 -4.222 -4.487 -4.770 -5.069 -5.717 -5.855 -5.996 -6.140 -6.286 -6.436 -6.589 -6.745 -6.905 -7.067 -7.233 -7.401 -7.572 -7.746 -7.921 -8.099 -8.278 -8.457 -8.638 -8.818 -8.997 -3.414 -3.133 -3.006 -2.966 -2.984 -3.046 -3.142 -3.266 -3.415 -3.585 -3.776 -3.986 -4.213 -4.455 -4.711 -5.260 -5.375 -5.493 -5.613 -5.734 -5.858 -5.984 -6.113 -6.243 -6.376 -6.511 -6.648 -6.787 -6.928 -7.072 -7.217 -7.364 -7.513 -7.663 -7.815 -7.968 -3.416 -3.110 -2.968 -2.916 -2.923 -2.973 -3.055 -3.163 -3.293 -3.443 -3.609 -3.792 -3.990 -4.200 -4.421 -4.895 -4.995 -5.096 -5.198 -5.302 -5.408 -5.516 -5.625 -5.735 -5.848 -5.962 -6.078 -6.195 -6.314 -6.435 -6.558 -6.683 -6.809 -6.936 -7.065 -7.196 -3.436 -3.100 -2.941 -2.877 -2.873 -2.911 -2.981 -3.075 -3.190 -3.321 -3.468 -3.629 -3.802 -3.986 -4.181 -4.595 -4.682 -4.770 -4.859 -4.950 -5.042 -5.135 -5.230 -5.326 -5.423 -5.522 -5.622 -5.723 -5.826 -5.931 -6.036 -6.144 -6.253 -6.363 -6.475 -6.588 -3.468 -3.100 -2.924 -2.846 -2.831 -2.858 -2.916 -2.999 -3.100 -3.217 -3.347 -3.489 -3.642 -3.805 -3.976 -4.342 -4.419 -4.496 -4.575 -4.655 -4.736 -4.818 -4.901 -4.985 -5.070 -5.157 -5.245 -5.334 -5.424 -5.516 -5.609 -5.703 -5.799 -5.896 -5.994 -6.093 -3.512 -3.107 -2.913 -2.822 -2.796 -2.812 -2.861 -2.932 -3.022 -3.126 -3.242 -3.368 -3.504 -3.648 -3.800 -4.125 -4.193 -4.262 -4.332 -4.403 -4.475 -4.547 -4.621 -4.696 -4.772 -4.849 -4.927 -5.006 -5.086 -5.167 -5.250 -5.334 -5.419 -5.505 -5.592 -5.681 -3.565 -3.121 -2.909 -2.805 -2.767 -2.774 -2.812 -2.873 -2.952 -3.045 -3.149 -3.262 -3.383 -3.512 -3.647 -3.937 -3.997 -4.059 -4.121 -4.185 -4.249 -4.314 -4.380 -4.447 -4.515 -4.584 -4.654 -4.724 -4.796 -4.869 -4.943 -5.019 -5.095 -5.173 -5.251 -5.331 99999.999 -3.141 -2.909 -2.793 -2.744 -2.740 -2.769 -2.821 -2.891 -2.973 -3.066 -3.168 -3.276 -3.391 -3.512 -3.772 -3.826 -3.881 -3.937 -3.994 -4.052 -4.110 -4.170 -4.230 -4.291 -4.353 -4.416 -4.480 -4.545 -4.611 -4.678 -4.747 -4.816 -4.886 -4.958 -5.031 PbO,aq PbO(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 2.000 Ref: Shock07 3 -2.000 1 1.000 17 1.000 2 18.506 16.894 15.600 14.541 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.506 16.894 15.600 14.541 13.663 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.506 16.894 15.600 14.541 13.663 12.925 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.506 16.895 15.600 14.542 13.663 12.925 12.298 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.506 16.895 15.601 14.542 13.664 12.926 12.299 11.759 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.507 16.896 15.601 14.543 13.665 12.927 12.300 11.760 11.290 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.508 16.897 15.602 14.544 13.666 12.928 12.301 11.762 11.292 10.877 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.509 16.898 15.604 14.546 13.668 12.930 12.303 11.764 11.295 10.880 10.506 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.511 16.900 15.606 14.548 13.670 12.932 12.306 11.767 11.298 10.885 10.511 10.165 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.513 16.903 15.609 14.551 13.673 12.936 12.309 11.771 11.303 10.890 10.519 10.174 9.846 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.516 16.907 15.613 14.555 13.677 12.940 12.314 11.776 11.309 10.898 10.528 10.187 9.863 9.551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.520 16.911 15.618 14.560 13.682 12.945 12.320 11.783 11.317 10.907 10.539 10.202 9.885 9.576 9.284 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.523 16.914 15.621 14.563 13.686 12.950 12.324 11.788 11.323 10.914 10.548 10.214 9.901 9.597 9.281 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.526 16.919 15.626 14.568 13.691 12.955 12.331 11.795 11.331 10.923 10.560 10.230 9.923 9.627 9.310 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.530 16.923 15.631 14.573 13.697 12.961 12.337 11.802 11.338 10.932 10.571 10.245 9.944 9.657 9.351 10.267 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.533 16.928 15.635 14.578 13.702 12.966 12.343 11.808 11.346 10.941 10.582 10.260 9.964 9.685 9.394 9.600 9.857 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.537 16.932 15.640 14.583 13.707 12.971 12.348 11.815 11.353 10.949 10.593 10.273 9.983 9.712 9.435 9.441 9.515 9.665 9.867 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.540 16.936 15.644 14.587 13.711 12.977 12.354 11.821 11.360 10.958 10.603 10.286 10.000 9.737 9.474 9.376 9.391 9.442 9.537 9.662 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.543 16.940 15.648 14.592 13.716 12.981 12.359 11.827 11.367 10.965 10.612 10.298 10.016 9.759 9.510 9.346 9.333 9.342 9.377 9.440 9.521 9.597 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.546 16.943 15.653 14.596 13.720 12.986 12.364 11.833 11.373 10.973 10.621 10.310 10.031 9.780 9.541 9.331 9.304 9.291 9.295 9.319 9.360 9.414 9.467 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.548 16.947 15.657 14.600 13.725 12.991 12.369 11.838 11.380 10.980 10.630 10.320 10.045 9.798 9.570 9.324 9.289 9.263 9.250 9.250 9.265 9.292 9.328 9.365 9.395 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.551 16.950 15.660 14.604 13.729 12.995 12.374 11.844 11.386 10.988 10.638 10.331 10.058 9.815 9.594 9.323 9.282 9.248 9.224 9.210 9.207 9.215 9.233 9.257 9.283 9.307 9.324 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.553 16.954 15.664 14.608 13.733 13.000 12.379 11.849 11.392 10.994 10.646 10.340 10.070 9.830 9.616 9.326 9.280 9.242 9.210 9.187 9.172 9.167 9.170 9.180 9.196 9.215 9.234 9.250 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.556 16.957 15.668 14.612 13.737 13.004 12.384 11.854 11.398 11.001 10.654 10.349 10.081 9.844 9.634 9.330 9.282 9.239 9.203 9.174 9.151 9.136 9.128 9.128 9.133 9.144 9.158 9.173 9.188 9.202 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.558 16.960 15.671 14.616 13.741 13.008 12.388 11.859 11.403 11.007 10.661 10.358 10.091 9.856 9.649 9.336 9.286 9.241 9.201 9.167 9.139 9.117 9.101 9.092 9.089 9.091 9.098 9.108 9.121 9.135 9.150 99999.999 99999.999 99999.999 99999.999 99999.999 18.560 16.963 15.675 14.620 13.745 13.012 12.393 11.864 11.409 11.014 10.669 10.366 10.100 9.867 9.662 9.343 9.291 9.244 9.202 9.165 9.133 9.106 9.084 9.069 9.058 9.053 9.053 9.058 9.065 9.076 9.090 9.105 9.123 99999.999 99999.999 99999.999 18.562 16.966 15.678 14.623 13.749 13.016 12.397 11.869 11.414 11.020 10.675 10.374 10.109 9.877 9.674 9.350 9.298 9.249 9.205 9.166 9.130 9.100 9.074 9.054 9.038 9.027 9.021 9.019 9.022 9.028 9.038 9.050 9.066 9.085 99999.999 99999.999 18.564 16.969 15.681 14.626 13.752 13.020 12.401 11.873 11.419 11.025 10.682 10.381 10.117 9.886 9.683 9.358 9.305 9.255 9.210 9.169 9.131 9.098 9.069 9.045 9.025 9.009 8.998 8.991 8.989 8.990 8.995 9.004 9.016 9.031 9.051 9.074 18.566 16.972 15.684 14.630 13.756 13.024 12.405 11.878 11.424 11.031 10.689 10.388 10.125 9.894 9.693 9.366 9.312 9.262 9.216 9.173 9.134 9.099 9.067 9.040 9.017 8.997 8.982 8.971 8.964 8.961 8.961 8.966 8.974 8.986 9.001 9.020 18.578 16.994 15.711 14.658 13.786 13.056 12.440 11.916 11.468 11.080 10.744 10.451 10.195 9.970 9.774 9.451 9.396 9.345 9.296 9.249 9.206 9.164 9.125 9.089 9.054 9.022 8.991 8.963 8.937 8.913 8.891 8.871 8.853 8.838 8.824 8.812 18.582 17.010 15.730 14.680 13.810 13.082 12.468 11.947 11.501 11.118 10.787 10.500 10.249 10.030 9.839 9.526 9.473 9.423 9.375 9.330 9.287 9.246 9.208 9.171 9.136 9.103 9.072 9.043 9.015 8.988 8.963 8.939 8.917 8.895 8.875 8.856 18.581 17.019 15.744 14.697 13.828 13.102 12.490 11.971 11.528 11.149 10.821 10.538 10.293 10.079 9.893 9.589 9.538 9.489 9.443 9.400 9.359 9.320 9.283 9.247 9.214 9.183 9.153 9.124 9.097 9.072 9.047 9.024 9.002 8.981 8.961 8.942 18.574 17.024 15.754 14.709 13.842 13.117 12.507 11.990 11.550 11.173 10.849 10.570 10.328 10.119 9.937 9.642 9.592 9.545 9.501 9.459 9.420 9.382 9.347 9.314 9.282 9.252 9.224 9.197 9.172 9.148 9.125 9.103 9.082 9.063 9.044 9.026 18.564 17.026 15.761 14.718 13.853 13.130 12.521 12.005 11.567 11.193 10.871 10.595 10.357 10.151 9.973 9.686 9.638 9.593 9.550 9.510 9.472 9.436 9.402 9.370 9.340 9.312 9.285 9.260 9.236 9.214 9.192 9.172 9.153 9.135 9.118 9.102 18.551 17.025 15.764 14.725 13.861 13.139 12.532 12.018 11.581 11.209 10.890 10.616 10.381 10.178 10.004 9.723 9.677 9.633 9.591 9.552 9.516 9.481 9.449 9.419 9.390 9.363 9.338 9.314 9.292 9.271 9.251 9.232 9.215 9.198 9.183 9.168 18.536 17.022 15.766 14.729 13.867 13.147 12.540 12.028 11.593 11.222 10.905 10.634 10.401 10.201 10.029 9.755 9.709 9.667 9.627 9.589 9.553 9.520 9.489 9.460 9.433 9.407 9.383 9.361 9.340 9.320 9.301 9.284 9.268 9.253 9.239 9.225 99999.999 17.017 15.766 14.731 13.871 13.152 12.547 12.036 11.602 11.233 10.918 10.648 10.418 10.220 10.051 9.782 9.737 9.696 9.657 9.620 9.586 9.554 9.524 9.496 9.469 9.445 9.422 9.401 9.381 9.362 9.345 9.329 9.314 9.300 9.287 9.275 HPbO2- HPbO2(-1) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 3.000 Ref: Shock07 3 -3.000 1 1.000 17 2.000 2 30.166 27.917 26.150 24.739 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.166 27.917 26.150 24.739 23.599 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.166 27.917 26.150 24.739 23.599 22.673 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.165 27.917 26.150 24.738 23.599 22.673 21.919 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.165 27.916 26.150 24.738 23.599 22.673 21.919 21.305 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.164 27.916 26.149 24.738 23.598 22.672 21.918 21.304 20.808 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.163 27.915 26.149 24.737 23.597 22.672 21.917 21.303 20.807 20.411 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.161 27.914 26.148 24.736 23.596 22.670 21.916 21.302 20.805 20.409 20.101 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.159 27.912 26.146 24.735 23.595 22.669 21.914 21.300 20.803 20.405 20.097 19.872 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.155 27.910 26.145 24.733 23.593 22.667 21.912 21.297 20.799 20.401 20.091 19.863 19.728 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.151 27.907 26.142 24.731 23.591 22.664 21.909 21.294 20.795 20.396 20.083 19.853 19.708 19.693 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.145 27.903 26.139 24.728 23.588 22.661 21.905 21.289 20.789 20.389 20.074 19.840 19.687 19.640 19.862 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.141 27.900 26.136 24.725 23.585 22.658 21.902 21.286 20.785 20.383 20.067 19.830 19.672 19.609 19.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.134 27.895 26.132 24.722 23.581 22.654 21.897 21.280 20.779 20.376 20.058 19.818 19.653 19.573 19.616 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.127 27.891 26.128 24.718 23.577 22.650 21.893 21.275 20.773 20.368 20.049 19.806 19.636 19.544 19.549 22.285 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.120 27.886 26.124 24.714 23.573 22.646 21.888 21.270 20.767 20.361 20.040 19.794 19.620 19.520 19.502 20.596 21.438 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.113 27.881 26.120 24.710 23.569 22.641 21.883 21.265 20.761 20.354 20.031 19.783 19.606 19.499 19.466 20.140 20.518 21.110 21.970 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.105 27.875 26.115 24.706 23.565 22.637 21.879 21.259 20.755 20.347 20.023 19.773 19.592 19.480 19.436 19.904 20.132 20.461 20.924 21.541 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.098 27.870 26.111 24.701 23.561 22.632 21.874 21.254 20.748 20.340 20.014 19.762 19.579 19.462 19.411 19.749 19.908 20.124 20.415 20.799 21.282 21.844 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.090 27.864 26.106 24.697 23.556 22.628 21.869 21.248 20.742 20.333 20.006 19.753 19.566 19.445 19.388 19.637 19.755 19.911 20.115 20.378 20.707 21.104 21.558 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.083 27.859 26.101 24.692 23.552 22.623 21.864 21.243 20.736 20.326 19.998 19.743 19.554 19.430 19.367 19.550 19.641 19.760 19.913 20.107 20.346 20.636 20.974 21.354 21.762 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.075 27.853 26.096 24.688 23.547 22.618 21.859 21.238 20.730 20.319 19.990 19.733 19.542 19.414 19.347 19.479 19.551 19.646 19.766 19.915 20.098 20.319 20.577 20.873 21.200 21.550 21.912 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.067 27.847 26.091 24.683 23.543 22.614 21.854 21.232 20.724 20.312 19.982 19.724 19.531 19.400 19.328 19.419 19.478 19.555 19.651 19.771 19.917 20.091 20.295 20.529 20.792 21.080 21.386 21.703 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.059 27.841 26.086 24.678 23.538 22.609 21.849 21.227 20.718 20.305 19.974 19.714 19.520 19.385 19.309 19.368 19.416 19.479 19.559 19.658 19.777 19.918 20.083 20.274 20.488 20.726 20.983 21.255 21.537 21.825 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.051 27.835 26.081 24.673 23.533 22.604 21.844 21.221 20.712 20.299 19.966 19.705 19.508 19.371 19.291 19.323 19.363 19.416 19.483 19.565 19.664 19.782 19.919 20.077 20.255 20.453 20.670 20.902 21.147 21.401 21.661 99999.999 99999.999 99999.999 99999.999 99999.999 30.043 27.829 26.076 24.668 23.528 22.599 21.838 21.215 20.706 20.292 19.959 19.696 19.497 19.357 19.273 19.284 19.316 19.361 19.417 19.487 19.572 19.671 19.787 19.920 20.071 20.238 20.423 20.622 20.835 21.058 21.289 21.525 21.765 99999.999 99999.999 99999.999 30.034 27.823 26.070 24.663 23.523 22.594 21.833 21.210 20.700 20.285 19.951 19.687 19.487 19.344 19.256 19.248 19.275 19.312 19.361 19.421 19.493 19.579 19.678 19.792 19.921 20.065 20.224 20.396 20.581 20.777 20.982 21.194 21.411 21.631 99999.999 99999.999 30.026 27.817 26.065 24.658 23.518 22.589 21.828 21.204 20.694 20.278 19.943 19.679 19.476 19.330 19.239 19.216 19.238 19.269 19.311 19.363 19.426 19.500 19.587 19.686 19.797 19.922 20.060 20.211 20.373 20.545 20.727 20.917 21.112 21.313 21.516 21.721 30.018 27.810 26.059 24.653 23.513 22.583 21.822 21.199 20.688 20.272 19.936 19.670 19.466 19.318 19.222 19.186 19.204 19.230 19.266 19.311 19.367 19.432 19.508 19.595 19.693 19.803 19.924 20.056 20.199 20.352 20.514 20.684 20.860 21.042 21.228 21.417 29.929 27.742 26.000 24.597 23.459 22.529 21.767 21.141 20.627 20.206 19.864 19.589 19.373 19.208 19.090 18.976 18.971 18.972 18.979 18.991 19.008 19.031 19.059 19.092 19.130 19.174 19.222 19.275 19.333 19.395 19.462 19.534 19.610 19.689 19.773 19.860 29.835 27.668 25.935 24.537 23.400 22.471 21.708 21.081 20.565 20.141 19.796 19.516 19.292 19.119 18.988 18.839 18.825 18.816 18.811 18.811 18.815 18.824 18.836 18.852 18.872 18.896 18.923 18.953 18.986 19.023 19.063 19.106 19.151 19.199 19.249 19.302 29.737 27.590 25.866 24.473 23.339 22.411 21.648 21.020 20.503 20.077 19.729 19.446 19.218 19.039 18.901 18.732 18.713 18.698 18.688 18.682 18.679 18.681 18.685 18.693 18.705 18.719 18.737 18.757 18.780 18.806 18.834 18.864 18.896 18.931 18.968 19.006 29.636 27.509 25.794 24.406 23.275 22.348 21.586 20.958 20.440 20.014 19.664 19.378 19.148 18.965 18.823 18.641 18.619 18.601 18.587 18.577 18.571 18.568 18.568 18.572 18.578 18.588 18.600 18.615 18.632 18.651 18.673 18.697 18.723 18.751 18.781 18.812 29.532 27.426 25.721 24.338 23.210 22.285 21.524 20.896 20.378 19.951 19.600 19.313 19.080 18.895 18.750 18.560 18.536 18.516 18.499 18.487 18.478 18.472 18.470 18.471 18.474 18.480 18.489 18.501 18.514 18.530 18.548 18.569 18.591 18.614 18.640 18.667 29.427 27.341 25.645 24.268 23.143 22.221 21.461 20.833 20.315 19.888 19.536 19.249 19.015 18.828 18.680 18.485 18.459 18.438 18.420 18.406 18.395 18.388 18.384 18.382 18.384 18.388 18.395 18.404 18.415 18.429 18.444 18.462 18.481 18.503 18.526 18.550 29.320 27.255 25.569 24.197 23.076 22.156 21.397 20.771 20.253 19.826 19.474 19.186 18.951 18.763 18.614 18.414 18.388 18.365 18.346 18.331 18.319 18.311 18.305 18.302 18.302 18.305 18.310 18.318 18.328 18.339 18.353 18.369 18.387 18.407 18.428 18.451 99999.999 27.168 25.492 24.126 23.009 22.091 21.334 20.709 20.192 19.764 19.412 19.124 18.889 18.700 18.550 18.347 18.320 18.297 18.277 18.261 18.248 18.239 18.232 18.229 18.228 18.229 18.233 18.240 18.248 18.259 18.272 18.287 18.303 18.321 18.341 18.363 Pb(HS)2,aq Pb(HS)2(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 2 1.000 17 2.000 6 -15.836 -14.710 -13.903 -13.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.836 -14.710 -13.903 -13.318 -12.905 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.836 -14.710 -13.902 -13.318 -12.905 -12.630 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.835 -14.709 -13.902 -13.317 -12.904 -12.629 -12.472 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.833 -14.707 -13.900 -13.316 -12.902 -12.627 -12.470 -12.417 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.831 -14.705 -13.898 -13.314 -12.900 -12.624 -12.467 -12.414 -12.458 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.827 -14.702 -13.895 -13.311 -12.896 -12.620 -12.462 -12.408 -12.451 -12.593 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.822 -14.698 -13.891 -13.306 -12.891 -12.615 -12.455 -12.400 -12.441 -12.580 -12.830 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.815 -14.692 -13.885 -13.300 -12.885 -12.607 -12.446 -12.389 -12.427 -12.563 -12.806 -13.184 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.806 -14.684 -13.877 -13.292 -12.876 -12.597 -12.434 -12.374 -12.409 -12.539 -12.774 -13.138 -13.676 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.795 -14.674 -13.868 -13.282 -12.864 -12.584 -12.419 -12.356 -12.386 -12.510 -12.734 -13.080 -13.587 -14.341 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.781 -14.662 -13.855 -13.269 -12.850 -12.567 -12.399 -12.332 -12.357 -12.473 -12.685 -13.010 -13.480 -14.165 -15.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.770 -14.652 -13.846 -13.259 -12.839 -12.555 -12.385 -12.314 -12.335 -12.445 -12.648 -12.957 -13.402 -14.041 -15.087 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.756 -14.639 -13.833 -13.245 -12.824 -12.538 -12.364 -12.290 -12.305 -12.407 -12.597 -12.886 -13.297 -13.877 -14.797 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.742 -14.627 -13.820 -13.232 -12.809 -12.521 -12.344 -12.266 -12.276 -12.370 -12.548 -12.820 -13.200 -13.729 -14.543 -15.783 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.728 -14.615 -13.808 -13.219 -12.795 -12.504 -12.325 -12.243 -12.248 -12.334 -12.502 -12.757 -13.110 -13.593 -14.317 -15.130 -15.657 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.716 -14.603 -13.797 -13.207 -12.781 -12.489 -12.307 -12.221 -12.220 -12.300 -12.459 -12.698 -13.027 -13.470 -14.114 -14.885 -15.229 -15.697 -16.455 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.704 -14.592 -13.786 -13.195 -12.768 -12.473 -12.289 -12.199 -12.194 -12.268 -12.417 -12.642 -12.949 -13.357 -13.932 -14.696 -14.986 -15.328 -15.763 -16.368 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.693 -14.582 -13.775 -13.183 -12.755 -12.459 -12.271 -12.178 -12.169 -12.236 -12.377 -12.589 -12.877 -13.254 -13.770 -14.536 -14.795 -15.087 -15.425 -15.836 -16.361 -17.046 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.682 -14.572 -13.765 -13.172 -12.743 -12.444 -12.254 -12.158 -12.144 -12.206 -12.338 -12.539 -12.810 -13.159 -13.625 -14.395 -14.633 -14.894 -15.186 -15.519 -15.910 -16.383 -16.960 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.672 -14.562 -13.755 -13.161 -12.731 -12.430 -12.238 -12.138 -12.120 -12.177 -12.302 -12.492 -12.748 -13.073 -13.496 -14.268 -14.490 -14.730 -14.992 -15.283 -15.609 -15.983 -16.417 -16.923 -17.507 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.662 -14.553 -13.745 -13.151 -12.719 -12.417 -12.222 -12.119 -12.097 -12.148 -12.267 -12.448 -12.690 -12.995 -13.382 -14.152 -14.360 -14.584 -14.826 -15.089 -15.377 -15.696 -16.054 -16.457 -16.911 -17.417 -17.972 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.653 -14.544 -13.736 -13.141 -12.708 -12.404 -12.206 -12.101 -12.075 -12.121 -12.233 -12.406 -12.636 -12.923 -13.280 -14.045 -14.242 -14.453 -14.678 -14.921 -15.183 -15.468 -15.779 -16.121 -16.498 -16.912 -17.361 -17.842 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.645 -14.536 -13.727 -13.131 -12.697 -12.391 -12.191 -12.083 -12.053 -12.095 -12.201 -12.365 -12.585 -12.858 -13.191 -13.946 -14.133 -14.333 -14.545 -14.772 -15.014 -15.275 -15.555 -15.858 -16.186 -16.539 -16.920 -17.325 -17.750 -18.190 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.637 -14.528 -13.719 -13.122 -12.686 -12.379 -12.177 -12.065 -12.032 -12.069 -12.170 -12.327 -12.538 -12.798 -13.112 -13.853 -14.032 -14.222 -14.423 -14.637 -14.864 -15.106 -15.363 -15.639 -15.933 -16.246 -16.580 -16.932 -17.301 -17.683 -18.072 99999.999 99999.999 99999.999 99999.999 99999.999 -15.629 -14.520 -13.710 -13.113 -12.676 -12.367 -12.163 -12.048 -12.012 -12.045 -12.140 -12.291 -12.493 -12.743 -13.041 -13.765 -13.937 -14.118 -14.310 -14.513 -14.727 -14.954 -15.194 -15.449 -15.718 -16.003 -16.303 -16.618 -16.946 -17.285 -17.632 -17.981 -18.330 99999.999 99999.999 99999.999 -15.622 -14.513 -13.703 -13.104 -12.666 -12.355 -12.149 -12.032 -11.992 -12.021 -12.111 -12.256 -12.451 -12.692 -12.978 -13.682 -13.847 -14.021 -14.205 -14.398 -14.602 -14.816 -15.042 -15.281 -15.531 -15.794 -16.070 -16.357 -16.655 -16.962 -17.276 -17.593 -17.910 -18.223 99999.999 99999.999 -15.616 -14.506 -13.695 -13.095 -12.656 -12.344 -12.136 -12.016 -11.973 -11.997 -12.083 -12.223 -12.411 -12.645 -12.921 -13.603 -13.763 -13.930 -14.106 -14.291 -14.485 -14.689 -14.904 -15.128 -15.364 -15.610 -15.866 -16.132 -16.407 -16.690 -16.979 -17.270 -17.563 -17.853 -18.138 -18.414 -15.610 -14.500 -13.688 -13.087 -12.647 -12.333 -12.123 -12.000 -11.954 -11.975 -12.056 -12.190 -12.373 -12.599 -12.867 -13.529 -13.682 -13.843 -14.013 -14.190 -14.376 -14.571 -14.776 -14.989 -15.212 -15.444 -15.685 -15.934 -16.191 -16.455 -16.724 -16.996 -17.269 -17.540 -17.808 -18.069 -15.574 -14.453 -13.632 -13.021 -12.568 -12.239 -12.011 -11.866 -11.792 -11.781 -11.824 -11.915 -12.048 -12.219 -12.424 -12.928 -13.044 -13.164 -13.289 -13.419 -13.554 -13.694 -13.839 -13.989 -14.143 -14.302 -14.466 -14.634 -14.806 -14.982 -15.161 -15.343 -15.528 -15.714 -15.902 -16.091 -15.575 -14.434 -13.600 -12.978 -12.513 -12.170 -11.926 -11.763 -11.667 -11.630 -11.644 -11.702 -11.799 -11.931 -12.092 -12.495 -12.588 -12.684 -12.784 -12.887 -12.995 -13.106 -13.220 -13.338 -13.460 -13.585 -13.714 -13.845 -13.980 -14.118 -14.259 -14.403 -14.550 -14.698 -14.850 -15.003 -15.605 -14.438 -13.588 -12.953 -12.475 -12.120 -11.862 -11.683 -11.570 -11.512 -11.502 -11.534 -11.602 -11.703 -11.831 -12.160 -12.236 -12.315 -12.398 -12.483 -12.572 -12.664 -12.759 -12.856 -12.957 -13.060 -13.166 -13.275 -13.387 -13.501 -13.618 -13.737 -13.859 -13.983 -14.109 -14.237 -15.658 -14.460 -13.592 -12.943 -12.453 -12.085 -11.814 -11.621 -11.492 -11.417 -11.388 -11.398 -11.443 -11.518 -11.620 -11.890 -11.954 -12.020 -12.090 -12.162 -12.237 -12.314 -12.394 -12.477 -12.562 -12.650 -12.740 -12.832 -12.927 -13.024 -13.124 -13.226 -13.330 -13.436 -13.544 -13.655 -15.730 -14.497 -13.610 -12.946 -12.443 -12.063 -11.780 -11.574 -11.432 -11.341 -11.296 -11.288 -11.313 -11.367 -11.446 -11.668 -11.722 -11.778 -11.837 -11.898 -11.962 -12.029 -12.097 -12.168 -12.242 -12.317 -12.395 -12.475 -12.557 -12.642 -12.728 -12.817 -12.907 -13.000 -13.095 -13.191 -15.817 -14.546 -13.638 -12.959 -12.443 -12.052 -11.757 -11.539 -11.384 -11.281 -11.221 -11.197 -11.205 -11.241 -11.301 -11.483 -11.528 -11.576 -11.626 -11.679 -11.733 -11.791 -11.850 -11.912 -11.976 -12.042 -12.110 -12.180 -12.252 -12.326 -12.403 -12.481 -12.561 -12.643 -12.727 -12.812 -15.917 -14.605 -13.676 -12.981 -12.453 -12.049 -11.743 -11.515 -11.348 -11.233 -11.159 -11.122 -11.116 -11.136 -11.180 -11.327 -11.365 -11.405 -11.448 -11.493 -11.540 -11.590 -11.642 -11.696 -11.752 -11.810 -11.870 -11.932 -11.996 -12.062 -12.130 -12.199 -12.271 -12.344 -12.420 -12.497 99999.999 -14.672 -13.722 -13.012 -12.470 -12.055 -11.738 -11.498 -11.321 -11.195 -11.110 -11.061 -11.041 -11.048 -11.077 -11.194 -11.226 -11.260 -11.296 -11.335 -11.376 -11.419 -11.464 -11.511 -11.561 -11.612 -11.666 -11.721 -11.778 -11.837 -11.898 -11.961 -12.025 -12.092 -12.160 -12.230 Pb(HS)2,aq Pb(HS)2(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 2.000 1 1.000 17 -4.000 31 2.000 4 288.361 261.924 238.976 218.909 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 288.361 261.924 238.976 218.909 201.193 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 288.365 261.927 238.979 218.912 201.196 185.406 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 288.372 261.934 238.985 218.918 201.202 185.412 171.211 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 288.384 261.945 238.996 218.928 201.212 185.422 171.221 158.336 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 288.403 261.963 239.013 218.945 201.228 185.438 171.238 158.353 146.561 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 288.431 261.990 239.039 218.970 201.252 185.463 171.263 158.380 146.589 135.695 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 288.472 262.028 239.075 219.005 201.287 185.497 171.298 158.417 146.630 135.741 125.564 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 288.527 262.081 239.125 219.053 201.335 185.545 171.347 158.469 146.686 135.804 125.640 116.000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 288.602 262.151 239.192 219.118 201.398 185.609 171.412 158.537 146.760 135.888 125.741 116.133 106.831 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 288.699 262.242 239.279 219.202 201.481 185.691 171.497 158.626 146.856 135.996 125.870 116.299 107.073 97.825 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 288.823 262.360 239.391 219.310 201.587 185.797 171.605 158.738 146.977 136.132 126.031 116.505 107.364 98.311 88.417 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 288.919 262.450 239.477 219.393 201.668 185.879 171.687 158.825 147.070 136.235 126.152 116.658 107.575 98.644 89.192 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 289.057 262.579 239.600 219.512 201.784 185.994 171.805 158.947 147.201 136.380 126.321 116.869 107.859 99.074 90.019 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 289.192 262.707 239.722 219.629 201.899 186.108 171.921 159.068 147.329 136.521 126.484 117.069 108.124 99.460 90.686 69.567 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 289.327 262.834 239.843 219.745 202.013 186.221 172.035 159.186 147.455 136.659 126.642 117.260 108.372 99.810 91.257 74.508 69.347 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 289.461 262.960 239.962 219.860 202.125 186.333 172.148 159.303 147.578 136.794 126.795 117.443 108.606 100.131 91.757 76.007 72.195 67.757 62.275 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 289.594 263.084 240.080 219.974 202.236 186.443 172.259 159.417 147.699 136.925 126.943 117.619 108.826 100.427 92.203 76.917 73.534 69.904 65.875 61.263 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 289.725 263.208 240.198 220.087 202.346 186.552 172.369 159.531 147.818 137.054 127.087 117.787 109.034 100.701 92.603 77.591 74.419 71.129 67.654 63.906 59.796 55.281 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 289.856 263.331 240.314 220.199 202.455 186.660 172.478 159.642 147.935 137.180 127.227 117.949 109.231 100.955 92.964 78.136 75.093 71.990 68.792 65.453 61.921 58.151 54.125 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 289.986 263.452 240.430 220.310 202.563 186.766 172.585 159.752 148.050 137.303 127.364 118.106 109.418 101.192 93.290 78.598 75.644 72.661 69.629 66.519 63.303 59.949 56.434 52.753 48.925 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 290.115 263.573 240.544 220.420 202.670 186.872 172.691 159.861 148.164 137.424 127.497 118.257 109.596 101.413 93.587 79.004 76.114 73.216 70.295 67.332 64.310 61.207 58.006 54.695 51.276 47.763 44.189 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 290.242 263.693 240.658 220.528 202.776 186.976 172.796 159.968 148.275 137.543 127.626 118.402 109.766 101.619 93.856 79.367 76.528 73.693 70.852 67.992 65.100 62.161 59.164 56.098 52.958 49.749 46.484 43.185 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 290.369 263.812 240.770 220.636 202.881 187.080 172.900 160.074 148.385 137.660 127.753 118.544 109.928 101.813 94.102 79.698 76.899 74.114 71.334 68.549 65.751 62.929 60.072 57.174 54.230 51.238 48.204 45.140 42.063 38.993 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 290.496 263.930 240.882 220.744 202.985 187.182 173.003 160.178 148.494 137.775 127.877 118.681 110.084 101.996 94.327 80.003 77.237 74.492 71.760 69.035 66.307 63.571 60.817 58.041 55.237 52.403 49.541 46.658 43.762 40.869 37.993 99999.999 99999.999 99999.999 99999.999 99999.999 290.621 264.047 240.993 220.850 203.088 187.284 173.104 160.281 148.601 137.888 127.998 118.814 110.234 102.169 94.535 80.286 77.548 74.837 72.144 69.466 66.794 64.124 61.449 58.764 56.065 53.350 50.618 47.874 45.122 42.371 39.633 36.920 34.244 99999.999 99999.999 99999.999 290.745 264.164 241.103 220.955 203.190 187.385 173.205 160.383 148.706 137.999 128.117 118.944 110.378 102.333 94.728 80.551 77.838 75.154 72.495 69.855 67.229 64.611 61.998 59.384 56.766 54.142 51.512 48.875 46.237 43.602 40.978 38.375 35.801 33.267 99999.999 99999.999 290.869 264.279 241.212 221.060 203.291 187.484 173.304 160.484 148.810 138.108 128.234 119.071 110.518 102.490 94.909 80.801 78.109 75.449 72.818 70.211 67.622 65.048 62.484 59.928 57.375 54.823 52.272 49.721 47.174 44.633 42.103 39.592 37.106 34.654 32.242 29.880 290.992 264.394 241.321 221.164 203.392 187.583 173.403 160.584 148.913 138.216 128.349 119.195 110.654 102.642 95.082 81.037 78.364 75.726 73.119 70.539 67.982 65.444 62.922 60.412 57.912 55.418 52.932 50.451 47.977 45.512 43.061 40.627 38.216 35.835 33.490 31.186 292.180 265.504 242.368 222.163 204.358 188.528 174.341 161.529 149.879 139.218 129.404 120.320 111.870 103.972 96.556 82.929 80.368 77.855 75.386 72.960 70.573 68.224 65.910 63.630 61.381 59.161 56.970 54.807 52.669 50.557 48.469 46.406 44.367 42.353 40.363 38.399 293.308 266.554 243.356 223.104 205.263 189.409 175.208 162.394 150.754 140.114 130.333 121.294 112.901 105.073 97.741 84.339 81.833 79.379 76.974 74.617 72.304 70.033 67.803 65.612 63.458 61.339 59.254 57.201 55.180 53.188 51.226 49.291 47.384 45.503 43.648 41.818 294.386 267.555 244.296 223.996 206.119 190.239 176.022 163.200 151.562 140.933 131.172 122.163 113.808 106.027 98.752 85.492 83.021 80.603 78.237 75.919 73.649 71.423 69.241 67.099 64.997 62.933 60.904 58.911 56.950 55.022 53.125 51.257 49.418 47.607 45.823 44.065 295.426 268.517 245.198 224.850 206.936 191.028 176.792 163.960 152.318 141.693 131.945 122.955 114.627 106.879 99.643 86.483 84.034 81.641 79.300 77.010 74.768 72.572 70.420 68.311 66.242 64.212 62.219 60.263 58.341 56.452 54.596 52.770 50.974 49.206 47.466 45.753 296.435 269.447 246.066 225.670 207.719 191.784 177.527 164.681 153.032 142.407 132.665 123.688 115.378 107.654 100.447 87.358 84.927 82.551 80.229 77.958 75.735 73.560 71.430 69.343 67.297 65.291 63.324 61.393 59.497 57.636 55.807 54.009 52.242 50.504 48.794 47.112 297.420 270.351 246.907 226.464 208.475 192.511 178.232 165.371 153.712 143.084 133.344 124.373 116.076 108.369 101.183 88.148 85.729 83.366 81.058 78.801 76.593 74.433 72.319 70.248 68.220 66.231 64.282 62.369 60.493 58.651 56.842 55.064 53.318 51.601 49.913 48.253 298.384 271.233 247.726 227.233 209.208 193.214 178.912 166.034 154.364 143.730 133.988 125.021 116.731 109.036 101.865 88.871 86.462 84.109 81.810 79.564 77.368 75.219 73.117 71.059 69.043 67.068 65.132 63.233 61.371 59.543 57.749 55.987 54.256 52.555 50.883 49.238 99999.999 272.098 248.525 227.983 209.919 193.896 179.571 166.675 154.992 144.350 134.604 125.637 117.351 109.664 102.504 89.541 87.138 84.793 82.503 80.265 78.077 75.937 73.844 71.795 69.789 67.824 65.898 64.010 62.159 60.342 58.559 56.809 55.089 53.400 51.740 50.107 Pb(HS)3- Pb(HS)3(-1) P-T:All Charge =-1. 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-12.447 -12.588 -12.940 -13.019 -13.102 -13.187 -13.275 -13.366 -13.459 -13.554 -13.652 -13.753 -13.855 -13.960 -14.067 -14.177 -14.288 -14.402 -14.518 -14.636 -14.756 -14.878 -15.002 -17.044 -15.493 -14.448 -13.698 -13.151 -12.756 -12.477 -12.288 -12.172 -12.114 -12.105 -12.137 -12.203 -12.299 -12.421 -12.731 -12.802 -12.876 -12.953 -13.032 -13.114 -13.198 -13.284 -13.372 -13.463 -13.556 -13.652 -13.749 -13.849 -13.950 -14.054 -14.160 -14.268 -14.378 -14.489 -14.603 99999.999 -15.555 -14.481 -13.711 -13.149 -12.739 -12.447 -12.247 -12.118 -12.048 -12.025 -12.043 -12.094 -12.174 -12.279 -12.553 -12.616 -12.683 -12.752 -12.823 -12.897 -12.973 -13.052 -13.132 -13.215 -13.300 -13.388 -13.477 -13.568 -13.662 -13.757 -13.855 -13.954 -14.055 -14.159 -14.264 Pb(HS)3- Pb(HS)3(-1) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 4 3.000 1 1.000 17 -6.000 31 3.000 4 438.995 398.941 364.208 333.858 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 438.995 398.941 364.208 333.858 307.085 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 439.000 398.947 364.213 333.863 307.090 283.247 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 439.011 398.957 364.222 333.873 307.099 283.256 261.831 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 439.029 398.974 364.239 333.888 307.114 283.271 261.846 242.427 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 439.058 399.001 364.265 333.914 307.139 283.295 261.871 242.453 224.703 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 439.101 399.042 364.304 333.951 307.175 283.332 261.908 242.492 224.745 208.371 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 439.163 399.100 364.359 334.005 307.228 283.384 261.962 242.548 224.804 208.438 193.172 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 439.249 399.181 364.436 334.079 307.300 283.456 262.035 242.624 224.887 208.530 193.283 178.862 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 439.362 399.289 364.539 334.177 307.397 283.552 262.132 242.726 224.995 208.652 193.428 179.050 165.184 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 439.511 399.429 364.672 334.306 307.522 283.677 262.259 242.857 225.136 208.809 193.613 179.287 165.526 151.809 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 439.701 399.608 364.843 334.470 307.683 283.837 262.421 243.025 225.315 209.007 193.845 179.580 165.936 152.490 137.933 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 439.849 399.747 364.975 334.597 307.807 283.960 262.545 243.153 225.452 209.157 194.020 179.798 166.233 152.957 139.022 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 440.058 399.945 365.163 334.778 307.983 284.134 262.721 243.336 225.645 209.369 194.264 180.099 166.635 153.559 140.179 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 440.267 400.141 365.349 334.957 308.157 284.307 262.895 243.515 225.834 209.576 194.500 180.385 167.009 154.099 141.109 109.946 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 440.473 400.335 365.534 335.134 308.330 284.477 263.067 243.691 226.020 209.777 194.728 180.659 167.361 154.591 141.904 117.016 109.480 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 440.678 400.528 365.716 335.310 308.500 284.646 263.236 243.865 226.202 209.974 194.949 180.921 167.691 155.042 142.602 119.155 113.548 107.056 99.101 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 440.881 400.719 365.898 335.483 308.669 284.813 263.404 244.036 226.381 210.167 195.165 181.173 168.004 155.458 143.224 120.450 115.455 110.116 104.215 97.501 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 441.083 400.909 366.077 335.656 308.837 284.977 263.569 244.205 226.558 210.356 195.374 181.415 168.300 155.844 143.782 121.406 116.714 111.859 106.746 101.252 95.256 88.700 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 441.283 401.097 366.255 335.826 309.002 285.141 263.732 244.372 226.731 210.541 195.578 181.649 168.581 156.203 144.287 122.178 117.669 113.081 108.362 103.448 98.268 92.759 86.898 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 441.482 401.283 366.432 335.996 309.167 285.302 263.894 244.536 226.902 210.723 195.776 181.874 168.848 156.537 144.744 122.833 118.449 114.032 109.548 104.961 100.228 95.306 90.163 84.793 79.225 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 441.679 401.469 366.607 336.163 309.329 285.462 264.054 244.699 227.070 210.901 195.970 182.092 169.103 156.850 145.160 123.407 119.115 114.818 110.492 106.113 101.654 97.087 92.386 87.537 82.541 77.422 72.222 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 441.875 401.652 366.781 336.330 309.490 285.620 264.212 244.859 227.236 211.076 196.160 182.303 169.346 157.144 145.540 123.921 119.701 115.493 111.280 107.047 102.773 98.438 94.026 89.521 84.917 80.222 75.454 70.644 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 442.070 401.835 366.954 336.495 309.650 285.777 264.368 245.017 227.399 211.248 196.345 182.508 169.580 157.420 145.887 124.390 120.226 116.088 111.962 107.835 103.694 99.524 95.311 91.043 86.714 82.324 77.879 73.397 68.902 64.423 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 442.263 402.016 367.125 336.659 309.808 285.932 264.522 245.174 227.560 211.417 196.526 182.706 169.804 157.681 146.206 124.821 120.704 116.622 112.565 108.521 104.481 100.431 96.364 92.268 88.137 83.970 79.767 75.538 71.297 67.063 62.857 99999.999 99999.999 99999.999 99999.999 99999.999 442.455 402.196 367.295 336.821 309.966 286.086 264.675 245.328 227.719 211.583 196.704 182.900 170.019 157.928 146.501 125.222 121.145 117.110 113.108 109.131 105.169 101.213 97.256 93.289 89.307 85.307 81.287 77.254 73.214 69.180 65.167 61.193 57.275 99999.999 99999.999 99999.999 442.646 402.375 367.464 336.982 310.121 286.239 264.827 245.481 227.876 211.747 196.878 183.088 170.228 158.163 146.775 125.597 121.554 117.559 113.604 109.681 105.782 101.902 98.031 94.165 90.298 86.426 82.549 78.668 74.787 70.916 67.063 63.243 59.467 55.751 99999.999 99999.999 442.836 402.552 367.632 337.142 310.276 286.390 264.977 245.633 228.031 211.909 197.049 183.273 170.430 158.389 147.034 125.951 121.938 117.976 114.061 110.183 106.338 102.518 98.718 94.933 91.156 87.387 83.621 79.861 76.109 72.369 68.649 64.958 61.306 57.704 54.163 50.692 443.024 402.728 367.798 337.301 310.429 286.540 265.126 245.782 228.184 212.068 197.217 183.453 170.626 158.607 147.281 126.287 122.299 118.368 114.486 110.647 106.847 103.078 99.336 95.616 91.914 88.227 84.552 80.890 77.242 73.610 70.000 66.418 62.872 59.370 55.921 52.533 444.849 404.433 369.405 338.831 311.903 287.976 266.544 247.202 229.626 213.554 198.770 185.099 172.392 160.527 149.396 128.978 125.146 121.387 117.698 114.073 110.511 107.006 103.556 100.157 96.808 93.505 90.246 87.030 83.855 80.719 77.621 74.561 71.539 68.555 65.608 62.700 446.582 406.048 370.922 340.272 313.286 289.317 267.859 248.507 230.938 214.889 200.145 186.530 173.898 162.125 151.108 130.994 127.238 123.561 119.959 116.429 112.968 109.572 106.238 102.963 99.745 96.581 93.470 90.408 87.394 84.426 81.503 78.623 75.785 72.987 70.230 67.510 448.242 407.590 372.368 341.642 314.596 290.584 269.095 249.727 232.154 216.114 201.394 187.815 175.230 163.519 152.575 132.653 128.943 125.315 121.765 118.290 114.887 111.552 108.283 105.076 101.930 98.841 95.807 92.827 89.897 87.017 84.184 81.397 78.653 75.953 73.293 70.674 449.844 409.072 373.755 342.953 315.848 291.790 270.268 250.878 233.294 217.256 202.547 188.990 176.438 164.768 153.876 134.084 130.405 126.810 123.295 119.856 116.491 113.196 109.968 106.805 103.704 100.662 97.677 94.748 91.871 89.044 86.267 83.537 80.852 78.211 75.612 73.054 451.400 410.507 375.094 344.216 317.051 292.946 271.389 251.973 234.375 218.331 203.626 190.082 177.551 165.910 155.054 135.356 131.699 128.127 124.636 121.222 117.884 114.616 111.418 108.285 105.215 102.205 99.254 96.359 93.517 90.728 87.988 85.296 82.651 80.050 77.492 74.976 452.919 411.902 376.392 345.438 318.213 294.060 272.466 253.023 235.407 219.352 204.645 191.107 178.589 166.968 156.138 136.507 132.867 129.311 125.838 122.444 119.124 115.877 112.699 109.588 106.541 103.554 100.627 97.757 94.941 92.177 89.464 86.800 84.183 81.610 79.082 76.595 454.406 413.264 377.655 346.625 319.339 295.139 273.506 254.035 236.397 220.329 205.616 192.078 179.567 167.958 157.146 137.566 133.937 130.394 126.934 123.554 120.249 117.017 113.855 110.759 107.729 104.760 101.851 98.998 96.201 93.457 90.764 88.120 85.523 82.971 80.464 77.999 99999.999 414.599 378.889 347.781 320.435 296.186 274.515 255.013 237.352 221.269 206.545 193.004 180.495 168.894 158.094 138.549 134.929 131.396 127.946 124.576 121.282 118.061 114.911 111.828 108.810 105.854 102.958 100.120 97.337 94.607 91.928 89.299 86.718 84.182 81.690 79.241 PdCl+ PdCl+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 2 1.000 3 1.000 39 -6.639 -6.099 -5.725 -5.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.639 -6.099 -5.725 -5.464 -5.287 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.639 -6.099 -5.725 -5.463 -5.287 -5.180 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.639 -6.099 -5.725 -5.463 -5.287 -5.179 -5.130 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.638 -6.098 -5.724 -5.462 -5.286 -5.178 -5.129 -5.132 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.637 -6.097 -5.723 -5.461 -5.285 -5.177 -5.128 -5.130 -5.182 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.636 -6.096 -5.722 -5.460 -5.283 -5.175 -5.125 -5.128 -5.178 -5.278 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.634 -6.094 -5.720 -5.458 -5.281 -5.172 -5.122 -5.123 -5.173 -5.271 -5.426 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.631 -6.092 -5.717 -5.455 -5.278 -5.169 -5.118 -5.118 -5.166 -5.262 -5.413 -5.631 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.628 -6.089 -5.714 -5.452 -5.274 -5.164 -5.112 -5.110 -5.157 -5.250 -5.396 -5.607 -5.901 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.623 -6.084 -5.710 -5.447 -5.268 -5.157 -5.104 -5.101 -5.145 -5.235 -5.376 -5.577 -5.856 -6.245 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.617 -6.079 -5.704 -5.441 -5.261 -5.149 -5.094 -5.089 -5.130 -5.216 -5.350 -5.540 -5.801 -6.163 -6.705 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 2 2.000 3 1.000 39 -11.819 -10.703 -9.910 -9.339 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.819 -10.703 -9.910 -9.339 -8.936 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.818 -10.703 -9.910 -9.338 -8.935 -8.669 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-8.217 -8.290 -8.366 -8.444 -8.525 -8.607 -8.692 -8.779 -8.868 -8.958 -9.051 99999.999 -12.414 -11.016 -9.995 -9.228 -8.646 -8.205 -7.874 -7.631 -7.458 -7.343 -7.276 -7.250 -7.259 -7.298 -7.451 -7.493 -7.537 -7.584 -7.634 -7.687 -7.742 -7.800 -7.860 -7.923 -7.988 -8.056 -8.125 -8.197 -8.271 -8.347 -8.426 -8.506 -8.588 -8.673 -8.759 PdCl4-2 PdCl4-2 P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 2 4.000 3 1.000 39 -17.526 -15.088 -13.268 -11.880 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.526 -15.088 -13.268 -11.880 -10.817 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.525 -15.087 -13.267 -11.879 -10.816 -10.010 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.454 -15.021 -13.204 -11.817 -10.754 -9.946 -9.348 -8.925 -8.657 -8.531 -8.547 -8.720 -9.087 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.426 -14.995 -13.178 -11.792 -10.729 -9.920 -9.320 -8.896 -8.624 -8.493 -8.500 -8.657 -8.995 -9.594 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.390 -14.961 -13.146 -11.760 -10.697 -9.888 -9.286 -8.859 -8.583 -8.444 -8.440 -8.579 -8.883 -9.417 -10.424 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.364 -14.935 -13.121 -11.736 -10.672 -9.863 -9.260 -8.830 -8.551 -8.408 -8.396 -8.521 -8.802 -9.293 -10.190 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.326 -14.900 -13.087 -11.701 -10.638 -9.827 -9.222 -8.790 -8.507 -8.357 -8.334 -8.441 -8.692 -9.128 -9.904 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.290 -14.865 -13.053 -11.668 -10.604 -9.793 -9.186 -8.751 -8.464 -8.308 -8.275 -8.366 -8.590 -8.978 -9.655 -10.989 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 -17.156 -14.734 -12.924 -11.541 -10.477 -9.662 -9.049 -8.604 -8.302 -8.125 -8.060 -8.100 -8.241 -8.491 -8.894 -9.554 -9.799 -10.080 -10.413 -10.822 -11.344 -12.018 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.126 -14.703 -12.894 -11.511 -10.446 -9.631 -9.017 -8.569 -8.264 -8.083 -8.011 -8.040 -8.166 -8.392 -8.749 -9.404 -9.625 -9.872 -10.154 -10.481 -10.868 -11.336 -11.905 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.096 -14.673 -12.864 -11.481 -10.416 -9.600 -8.985 -8.535 -8.227 -8.041 -7.964 -7.984 -8.096 -8.301 -8.619 -9.269 -9.472 -9.697 -9.947 -10.228 -10.548 -10.917 -11.346 -11.845 -12.415 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.067 -14.644 -12.835 -11.452 -10.387 -9.570 -8.953 -8.502 -8.191 -8.001 -7.918 -7.930 -8.031 -8.217 -8.502 -9.147 -9.336 -9.543 -9.771 -10.022 -10.302 -10.615 -10.967 -11.365 -11.813 -12.310 -12.851 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.039 -14.615 -12.807 -11.424 -10.359 -9.541 -8.923 -8.470 -8.156 -7.962 -7.873 -7.878 -7.968 -8.139 -8.398 -9.033 -9.211 -9.404 -9.615 -9.845 -10.098 -10.375 -10.680 -11.018 -11.390 -11.798 -12.241 -12.714 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.013 -14.588 -12.779 -11.396 -10.331 -9.512 -8.893 -8.438 -8.121 -7.924 -7.830 -7.829 -7.910 -8.068 -8.304 -8.928 -9.096 -9.278 -9.475 -9.689 -9.921 -10.172 -10.446 -10.744 -11.067 -11.417 -11.794 -12.194 -12.615 -13.049 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -16.987 -14.561 -12.752 -11.369 -10.303 -9.484 -8.863 -8.406 -8.087 -7.886 -7.788 -7.781 -7.854 -8.001 -8.220 -8.829 -8.988 -9.161 -9.347 -9.547 -9.763 -9.996 -10.246 -10.515 -10.805 -11.115 -11.446 -11.796 -12.163 -12.542 -12.930 99999.999 99999.999 99999.999 99999.999 99999.999 -16.962 -14.534 -12.726 -11.342 -10.276 -9.456 -8.835 -8.376 -8.054 -7.850 -7.748 -7.735 -7.801 -7.938 -8.144 -8.735 -8.888 -9.052 -9.228 -9.417 -9.620 -9.838 -10.070 -10.318 -10.583 -10.865 -11.162 -11.476 -11.803 -12.142 -12.488 -12.838 -13.188 99999.999 99999.999 99999.999 -16.937 -14.508 -12.699 -11.316 -10.250 -9.429 -8.806 -8.346 -8.022 -7.814 -7.708 -7.690 -7.750 -7.880 -8.075 -8.647 -8.793 -8.949 -9.117 -9.297 -9.489 -9.694 -9.912 -10.144 -10.389 -10.649 -10.922 -11.208 -11.506 -11.814 -12.129 -12.448 -12.768 -13.085 99999.999 99999.999 -16.914 -14.483 -12.674 -11.291 -10.224 -9.402 -8.778 -8.316 -7.990 -7.780 -7.670 -7.647 -7.702 -7.824 -8.010 -8.563 -8.702 -8.853 -9.013 -9.185 -9.368 -9.562 -9.768 -9.986 -10.216 -10.458 -10.712 -10.977 -11.253 -11.536 -11.827 -12.121 -12.418 -12.713 -13.003 -13.287 -16.891 -14.459 -12.649 -11.265 -10.198 -9.376 -8.751 -8.287 -7.959 -7.746 -7.632 -7.605 -7.655 -7.771 -7.950 -8.482 -8.617 -8.761 -8.915 -9.080 -9.254 -9.439 -9.635 -9.842 -10.059 -10.287 -10.526 -10.774 -11.031 -11.296 -11.567 -11.842 -12.119 -12.396 -12.671 -12.940 -16.706 -14.244 -12.425 -11.037 -9.965 -9.137 -8.502 -8.024 -7.677 -7.440 -7.297 -7.235 -7.243 -7.313 -7.436 -7.826 -7.925 -8.031 -8.143 -8.262 -8.388 -8.520 -8.658 -8.802 -8.953 -9.109 -9.271 -9.438 -9.611 -9.788 -9.970 -10.155 -10.344 -10.536 -10.730 -10.926 -16.582 -14.077 -12.242 -10.845 -9.767 -8.932 -8.289 -7.800 -7.439 -7.184 -7.019 -6.932 -6.911 -6.947 -7.034 -7.335 -7.414 -7.498 -7.588 -7.683 -7.783 -7.888 -7.999 -8.114 -8.234 -8.358 -8.487 -8.620 -8.757 -8.899 -9.044 -9.192 -9.345 -9.500 -9.658 -9.819 -16.508 -13.947 -12.091 -10.683 -9.597 -8.755 -8.104 -7.606 -7.233 -6.964 -6.782 -6.675 -6.632 -6.644 -6.703 -6.941 -7.006 -7.076 -7.150 -7.229 -7.313 -7.401 -7.494 -7.590 -7.691 -7.796 -7.905 -8.017 -8.133 -8.252 -8.375 -8.501 -8.630 -8.763 -8.898 -9.036 -16.473 -13.848 -11.966 -10.545 -9.450 -8.601 -7.942 -7.436 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-9.022 -8.139 -7.452 -6.917 -6.505 -6.192 -5.959 -5.795 -5.688 -5.629 -5.612 -5.682 -5.710 -5.743 -5.779 -5.820 -5.864 -5.911 -5.962 -6.017 -6.074 -6.135 -6.198 -6.264 -6.333 -6.405 -6.479 -6.556 -6.636 -6.718 -6.802 -6.889 PdO,aq PdO(AQ) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 3 -2.000 1 1.000 39 1.000 2 2.303 2.190 2.119 2.077 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.303 2.190 2.119 2.077 2.054 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.302 2.190 2.118 2.076 2.054 2.043 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.302 2.189 2.118 2.076 2.054 2.043 2.038 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.301 2.188 2.117 2.075 2.053 2.042 2.037 2.033 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.299 2.186 2.115 2.074 2.052 2.041 2.037 2.032 2.025 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.296 2.184 2.113 2.072 2.050 2.040 2.036 2.032 2.025 2.010 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.292 2.180 2.110 2.069 2.048 2.038 2.034 2.031 2.025 2.011 1.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.287 2.175 2.105 2.065 2.044 2.035 2.032 2.030 2.025 2.012 1.986 1.939 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.279 2.168 2.099 2.060 2.040 2.032 2.029 2.028 2.024 2.013 1.989 1.946 1.880 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.269 2.160 2.091 2.053 2.034 2.027 2.026 2.026 2.024 2.015 1.994 1.955 1.895 1.826 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.257 2.148 2.081 2.044 2.026 2.020 2.021 2.023 2.023 2.017 2.000 1.967 1.913 1.841 1.824 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.247 2.139 2.073 2.037 2.020 2.015 2.017 2.020 2.022 2.018 2.004 1.975 1.927 1.858 1.771 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.233 2.127 2.062 2.027 2.011 2.008 2.011 2.017 2.020 2.019 2.009 1.986 1.947 1.886 1.776 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.219 2.114 2.050 2.016 2.002 2.001 2.006 2.013 2.018 2.020 2.013 1.997 1.966 1.916 1.811 4.762 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.205 2.101 2.039 2.006 1.993 1.993 2.000 2.008 2.016 2.020 2.018 2.006 1.983 1.944 1.855 3.111 3.904 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.191 2.088 2.027 1.996 1.984 1.986 1.994 2.004 2.014 2.020 2.021 2.014 1.999 1.970 1.900 2.709 3.048 3.578 4.296 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.177 2.075 2.016 1.986 1.975 1.978 1.987 2.000 2.011 2.020 2.024 2.022 2.013 1.995 1.944 2.528 2.723 3.005 3.400 3.898 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.163 2.062 2.004 1.975 1.966 1.970 1.981 1.995 2.009 2.020 2.026 2.028 2.026 2.017 1.984 2.427 2.557 2.735 2.974 3.285 3.660 4.061 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.148 2.049 1.992 1.965 1.957 1.962 1.975 1.990 2.006 2.019 2.028 2.034 2.037 2.036 2.019 2.364 2.459 2.583 2.744 2.951 3.206 3.502 3.820 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.134 2.036 1.981 1.954 1.948 1.955 1.968 1.986 2.003 2.018 2.030 2.039 2.046 2.052 2.049 2.322 2.395 2.488 2.605 2.752 2.932 3.147 3.390 3.650 3.911 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.120 2.024 1.969 1.944 1.939 1.947 1.962 1.981 1.999 2.016 2.031 2.043 2.054 2.066 2.074 2.293 2.352 2.425 2.514 2.624 2.758 2.918 3.102 3.308 3.527 3.750 3.967 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.106 2.011 1.957 1.933 1.930 1.939 1.955 1.976 1.996 2.015 2.032 2.046 2.061 2.078 2.095 2.273 2.322 2.381 2.452 2.538 2.642 2.764 2.906 3.068 3.245 3.434 3.629 3.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.091 1.998 1.946 1.923 1.920 1.931 1.949 1.970 1.992 2.013 2.032 2.049 2.067 2.087 2.110 2.259 2.301 2.350 2.409 2.478 2.561 2.657 2.770 2.898 3.041 3.197 3.363 3.535 3.710 3.885 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.077 1.985 1.934 1.913 1.911 1.923 1.942 1.965 1.989 2.011 2.032 2.051 2.071 2.094 2.122 2.250 2.286 2.328 2.377 2.435 2.503 2.581 2.672 2.775 2.892 3.020 3.160 3.308 3.462 3.621 3.783 99999.999 99999.999 99999.999 99999.999 99999.999 2.063 1.972 1.922 1.902 1.902 1.914 1.935 1.960 1.985 2.009 2.031 2.053 2.075 2.100 2.131 2.243 2.275 2.312 2.354 2.403 2.460 2.525 2.600 2.685 2.781 2.888 3.004 3.130 3.264 3.404 3.550 3.700 3.854 99999.999 99999.999 99999.999 2.049 1.959 1.911 1.891 1.892 1.906 1.928 1.954 1.981 2.007 2.031 2.054 2.077 2.104 2.136 2.239 2.267 2.300 2.337 2.380 2.429 2.484 2.547 2.618 2.698 2.787 2.886 2.992 3.107 3.230 3.358 3.492 3.632 3.776 99999.999 99999.999 2.034 1.946 1.899 1.881 1.883 1.898 1.921 1.948 1.977 2.004 2.030 2.054 2.079 2.107 2.140 2.236 2.262 2.292 2.325 2.363 2.405 2.453 2.507 2.568 2.635 2.711 2.794 2.885 2.984 3.090 3.202 3.321 3.445 3.575 3.711 3.852 2.020 1.933 1.887 1.870 1.873 1.890 1.914 1.943 1.973 2.001 2.029 2.055 2.081 2.110 2.143 2.235 2.259 2.286 2.316 2.350 2.387 2.429 2.476 2.529 2.587 2.652 2.723 2.801 2.886 2.978 3.076 3.180 3.290 3.406 3.528 3.655 1.876 1.802 1.769 1.763 1.778 1.805 1.841 1.882 1.925 1.967 2.009 2.049 2.088 2.127 2.167 2.252 2.270 2.289 2.309 2.329 2.349 2.370 2.393 2.415 2.439 2.464 2.490 2.517 2.546 2.576 2.608 2.641 2.676 2.713 2.752 2.793 1.731 1.671 1.649 1.655 1.680 1.717 1.764 1.815 1.869 1.924 1.978 2.030 2.081 2.131 2.181 2.279 2.298 2.318 2.338 2.357 2.377 2.397 2.416 2.436 2.455 2.475 2.495 2.514 2.534 2.553 2.573 2.592 2.612 2.632 2.652 2.672 1.584 1.539 1.530 1.546 1.581 1.628 1.683 1.744 1.808 1.873 1.938 2.001 2.063 2.124 2.182 2.297 2.320 2.342 2.364 2.386 2.408 2.429 2.450 2.471 2.492 2.512 2.532 2.552 2.571 2.590 2.608 2.626 2.644 2.661 2.678 2.694 1.438 1.407 1.409 1.437 1.481 1.537 1.601 1.671 1.743 1.818 1.892 1.965 2.036 2.106 2.175 2.306 2.332 2.357 2.382 2.407 2.431 2.455 2.479 2.502 2.525 2.548 2.570 2.592 2.613 2.633 2.654 2.673 2.692 2.711 2.728 2.746 1.291 1.275 1.289 1.327 1.380 1.445 1.518 1.595 1.676 1.758 1.841 1.923 2.003 2.082 2.158 2.306 2.335 2.363 2.391 2.418 2.446 2.473 2.499 2.525 2.551 2.576 2.601 2.625 2.648 2.671 2.694 2.716 2.737 2.758 2.778 2.797 1.145 1.143 1.169 1.216 1.279 1.353 1.433 1.518 1.607 1.696 1.787 1.876 1.965 2.051 2.136 2.298 2.330 2.361 2.392 2.422 2.452 2.482 2.511 2.539 2.568 2.595 2.623 2.649 2.676 2.701 2.726 2.751 2.774 2.798 2.820 2.842 0.999 1.012 1.048 1.106 1.178 1.260 1.348 1.440 1.536 1.632 1.730 1.826 1.922 2.016 2.108 2.284 2.318 2.352 2.386 2.419 2.451 2.483 2.515 2.546 2.577 2.607 2.637 2.666 2.694 2.722 2.750 2.777 2.803 2.828 2.853 2.877 99999.999 0.881 0.929 0.996 1.076 1.166 1.262 1.361 1.463 1.567 1.670 1.774 1.876 1.976 2.075 2.265 2.301 2.338 2.373 2.409 2.444 2.478 2.512 2.546 2.579 2.611 2.643 2.675 2.705 2.736 2.765 2.794 2.823 2.850 2.877 2.904 PdOH+ Pd(OH)+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 3 -1.000 1 1.000 2 1.000 39 1.103 0.995 0.902 0.825 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.103 0.995 0.902 0.825 0.760 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.103 0.995 0.902 0.825 0.760 0.704 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.103 0.994 0.901 0.824 0.759 0.703 0.653 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.102 0.994 0.901 0.823 0.759 0.703 0.653 0.605 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.100 0.992 0.899 0.822 0.758 0.702 0.652 0.605 0.558 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.098 0.990 0.898 0.821 0.756 0.701 0.651 0.604 0.558 0.509 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.094 0.987 0.895 0.818 0.754 0.699 0.649 0.603 0.557 0.509 0.456 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.090 0.983 0.891 0.815 0.751 0.696 0.647 0.601 0.556 0.509 0.457 0.396 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.084 0.978 0.886 0.810 0.747 0.693 0.645 0.599 0.555 0.508 0.458 0.398 0.331 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.076 0.970 0.880 0.805 0.742 0.689 0.641 0.596 0.553 0.508 0.459 0.402 0.337 0.277 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.065 0.961 0.871 0.797 0.735 0.683 0.636 0.592 0.550 0.507 0.460 0.406 0.344 0.280 0.276 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.057 0.954 0.865 0.791 0.730 0.678 0.632 0.589 0.548 0.506 0.460 0.409 0.350 0.286 0.226 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.045 0.943 0.855 0.783 0.722 0.671 0.626 0.585 0.545 0.504 0.461 0.413 0.359 0.298 0.216 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.033 0.932 0.846 0.774 0.715 0.665 0.621 0.580 0.541 0.502 0.461 0.417 0.367 0.311 0.228 2.338 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.022 0.922 0.836 0.765 0.707 0.658 0.615 0.576 0.538 0.500 0.461 0.420 0.375 0.324 0.249 1.107 1.690 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.010 0.911 0.826 0.757 0.699 0.651 0.609 0.571 0.534 0.498 0.461 0.422 0.381 0.337 0.271 0.804 1.048 1.437 1.979 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.998 0.901 0.817 0.748 0.692 0.644 0.603 0.566 0.530 0.496 0.460 0.424 0.387 0.348 0.294 0.664 0.802 1.004 1.293 1.668 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.986 0.890 0.807 0.739 0.684 0.637 0.597 0.561 0.527 0.493 0.459 0.426 0.392 0.358 0.314 0.583 0.672 0.797 0.969 1.197 1.477 1.786 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.974 0.879 0.798 0.731 0.676 0.630 0.591 0.556 0.523 0.490 0.458 0.427 0.396 0.367 0.332 0.529 0.592 0.677 0.790 0.938 1.125 1.346 1.588 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.962 0.868 0.788 0.722 0.668 0.623 0.585 0.551 0.519 0.487 0.457 0.427 0.399 0.374 0.347 0.492 0.538 0.599 0.679 0.782 0.911 1.068 1.249 1.446 1.648 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.950 0.858 0.778 0.713 0.660 0.616 0.579 0.545 0.514 0.484 0.455 0.427 0.401 0.379 0.359 0.465 0.500 0.546 0.605 0.680 0.773 0.887 1.021 1.173 1.338 1.509 1.679 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.938 0.847 0.768 0.704 0.652 0.609 0.573 0.540 0.510 0.481 0.453 0.427 0.403 0.383 0.368 0.445 0.472 0.507 0.552 0.609 0.679 0.764 0.865 0.982 1.112 1.253 1.401 1.550 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.926 0.836 0.759 0.695 0.644 0.602 0.566 0.535 0.506 0.478 0.451 0.426 0.404 0.386 0.374 0.429 0.450 0.478 0.513 0.557 0.611 0.677 0.755 0.845 0.948 1.062 1.185 1.314 1.446 1.580 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.914 0.825 0.749 0.687 0.636 0.595 0.560 0.529 0.501 0.474 0.449 0.425 0.404 0.387 0.378 0.417 0.434 0.456 0.484 0.519 0.561 0.613 0.674 0.745 0.827 0.919 1.019 1.128 1.242 1.361 1.483 99999.999 99999.999 99999.999 99999.999 99999.999 0.902 0.815 0.739 0.678 0.628 0.587 0.554 0.524 0.497 0.471 0.446 0.423 0.403 0.388 0.379 0.407 0.420 0.438 0.461 0.489 0.523 0.564 0.613 0.670 0.736 0.810 0.892 0.983 1.080 1.182 1.290 1.401 1.515 99999.999 99999.999 99999.999 0.890 0.804 0.729 0.669 0.620 0.580 0.547 0.518 0.492 0.467 0.444 0.421 0.402 0.388 0.380 0.399 0.410 0.424 0.443 0.466 0.493 0.527 0.566 0.612 0.666 0.726 0.794 0.869 0.951 1.038 1.131 1.229 1.331 1.436 99999.999 99999.999 0.878 0.793 0.719 0.660 0.612 0.573 0.541 0.513 0.487 0.463 0.441 0.420 0.401 0.387 0.379 0.392 0.401 0.413 0.428 0.447 0.470 0.497 0.529 0.567 0.611 0.661 0.717 0.779 0.848 0.922 1.002 1.087 1.176 1.270 1.368 1.469 0.866 0.782 0.710 0.651 0.604 0.566 0.534 0.507 0.482 0.460 0.438 0.417 0.399 0.386 0.377 0.386 0.394 0.404 0.416 0.432 0.451 0.474 0.500 0.532 0.568 0.609 0.656 0.708 0.765 0.828 0.897 0.970 1.048 1.130 1.216 1.307 0.744 0.673 0.611 0.560 0.521 0.491 0.467 0.448 0.431 0.417 0.404 0.391 0.380 0.371 0.364 0.361 0.362 0.364 0.366 0.370 0.374 0.379 0.385 0.391 0.399 0.408 0.418 0.429 0.442 0.456 0.471 0.488 0.506 0.526 0.548 0.571 0.622 0.563 0.511 0.469 0.437 0.414 0.397 0.385 0.376 0.369 0.363 0.358 0.354 0.350 0.348 0.349 0.350 0.351 0.353 0.355 0.357 0.359 0.362 0.365 0.368 0.371 0.375 0.379 0.383 0.387 0.392 0.397 0.402 0.408 0.413 0.419 0.498 0.453 0.410 0.377 0.353 0.336 0.326 0.320 0.317 0.317 0.317 0.319 0.321 0.324 0.327 0.336 0.339 0.341 0.343 0.346 0.349 0.351 0.354 0.357 0.360 0.363 0.365 0.368 0.371 0.374 0.376 0.379 0.381 0.384 0.386 0.388 0.374 0.342 0.309 0.284 0.267 0.257 0.253 0.253 0.256 0.262 0.269 0.276 0.284 0.293 0.302 0.320 0.324 0.328 0.332 0.336 0.340 0.343 0.347 0.351 0.355 0.359 0.362 0.366 0.369 0.372 0.375 0.378 0.381 0.383 0.385 0.387 0.250 0.231 0.208 0.191 0.181 0.178 0.179 0.185 0.194 0.205 0.217 0.230 0.244 0.258 0.272 0.300 0.305 0.311 0.316 0.322 0.327 0.333 0.338 0.343 0.348 0.353 0.358 0.363 0.367 0.371 0.375 0.379 0.383 0.386 0.389 0.392 0.126 0.120 0.107 0.098 0.095 0.098 0.105 0.116 0.130 0.146 0.164 0.182 0.201 0.220 0.239 0.275 0.283 0.290 0.297 0.304 0.311 0.318 0.325 0.331 0.338 0.344 0.350 0.356 0.362 0.368 0.373 0.378 0.383 0.388 0.392 0.396 0.003 0.010 0.006 0.005 0.009 0.018 0.031 0.047 0.066 0.087 0.109 0.132 0.156 0.179 0.202 0.248 0.257 0.266 0.274 0.283 0.291 0.300 0.308 0.316 0.324 0.332 0.339 0.347 0.354 0.361 0.368 0.374 0.380 0.386 0.392 0.397 99999.999 -0.100 -0.095 -0.088 -0.077 -0.062 -0.044 -0.022 0.001 0.027 0.053 0.081 0.109 0.136 0.164 0.218 0.228 0.238 0.249 0.259 0.269 0.279 0.288 0.298 0.307 0.316 0.325 0.334 0.342 0.350 0.358 0.366 0.374 0.381 0.388 0.394 PdSO4,aq Pd(SO4)(AQ) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 2 1.000 4 1.000 39 -2.354 -2.397 -2.508 -2.652 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.354 -2.397 -2.508 -2.652 -2.821 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.353 -2.397 -2.507 -2.652 -2.821 -3.014 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.353 -2.396 -2.507 -2.651 -2.820 -3.014 -3.235 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.351 -2.395 -2.506 -2.650 -2.819 -3.012 -3.233 -3.486 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.350 -2.394 -2.505 -2.649 -2.818 -3.011 -3.231 -3.483 -3.775 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.347 -2.392 -2.503 -2.647 -2.815 -3.008 -3.227 -3.478 -3.768 -4.110 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.343 -2.390 -2.501 -2.645 -2.812 -3.004 -3.222 -3.472 -3.759 -4.097 -4.508 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.338 -2.386 -2.498 -2.641 -2.808 -2.998 -3.215 -3.462 -3.747 -4.081 -4.484 -4.991 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.331 -2.381 -2.493 -2.636 -2.802 -2.991 -3.206 -3.450 -3.731 -4.059 -4.454 -4.945 -5.581 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.322 -2.375 -2.488 -2.630 -2.795 -2.982 -3.194 -3.435 -3.711 -4.032 -4.415 -4.888 -5.493 -6.308 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.311 -2.368 -2.481 -2.623 -2.786 -2.971 -3.179 -3.416 -3.685 -3.998 -4.368 -4.818 -5.386 -6.140 -7.281 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.303 -2.363 -2.477 -2.618 -2.780 -2.962 -3.168 -3.401 -3.666 -3.972 -4.332 -4.767 -5.308 -6.017 -7.092 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.291 -2.355 -2.470 -2.610 -2.771 -2.951 -3.153 -3.381 -3.640 -3.937 -4.284 -4.697 -5.203 -5.854 -6.822 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.280 -2.348 -2.464 -2.603 -2.762 -2.939 -3.138 -3.362 -3.615 -3.904 -4.238 -4.631 -5.106 -5.704 -6.572 -6.460 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.270 -2.342 -2.458 -2.597 -2.754 -2.929 -3.124 -3.343 -3.591 -3.872 -4.194 -4.570 -5.016 -5.567 -6.344 -6.627 -6.760 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.260 -2.336 -2.452 -2.591 -2.746 -2.919 -3.111 -3.326 -3.568 -3.841 -4.153 -4.512 -4.933 -5.442 -6.137 -6.583 -6.760 -6.958 -7.327 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.251 -2.330 -2.447 -2.585 -2.739 -2.909 -3.098 -3.309 -3.545 -3.812 -4.114 -4.458 -4.855 -5.327 -5.950 -6.489 -6.681 -6.880 -7.109 -7.440 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.242 -2.325 -2.442 -2.579 -2.732 -2.900 -3.086 -3.293 -3.524 -3.784 -4.077 -4.407 -4.784 -5.222 -5.782 -6.386 -6.579 -6.779 -6.991 -7.235 -7.550 -7.994 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.234 -2.320 -2.438 -2.574 -2.725 -2.891 -3.074 -3.277 -3.504 -3.757 -4.041 -4.359 -4.717 -5.127 -5.633 -6.283 -6.473 -6.669 -6.874 -7.095 -7.345 -7.647 -8.032 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.226 -2.315 -2.434 -2.570 -2.719 -2.883 -3.063 -3.262 -3.484 -3.732 -4.008 -4.314 -4.656 -5.041 -5.501 -6.185 -6.369 -6.559 -6.758 -6.967 -7.192 -7.442 -7.732 -8.078 -8.490 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.219 -2.311 -2.430 -2.565 -2.713 -2.875 -3.052 -3.248 -3.465 -3.707 -3.976 -4.272 -4.599 -4.963 -5.384 -6.090 -6.268 -6.453 -6.645 -6.845 -7.056 -7.282 -7.530 -7.807 -8.123 -8.482 -8.885 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.212 -2.307 -2.427 -2.561 -2.708 -2.867 -3.042 -3.234 -3.447 -3.684 -3.945 -4.232 -4.547 -4.892 -5.282 -6.000 -6.172 -6.351 -6.536 -6.728 -6.929 -7.140 -7.365 -7.608 -7.873 -8.165 -8.485 -8.831 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.206 -2.304 -2.424 -2.557 -2.703 -2.860 -3.032 -3.221 -3.430 -3.661 -3.916 -4.195 -4.498 -4.828 -5.193 -5.914 -6.081 -6.253 -6.432 -6.616 -6.809 -7.009 -7.220 -7.442 -7.679 -7.932 -8.202 -8.491 -8.795 -9.110 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.199 -2.300 -2.421 -2.554 -2.698 -2.853 -3.023 -3.208 -3.413 -3.639 -3.888 -4.159 -4.453 -4.770 -5.115 -5.832 -5.994 -6.160 -6.332 -6.511 -6.695 -6.887 -7.086 -7.295 -7.513 -7.742 -7.983 -8.235 -8.498 -8.768 -9.043 99999.999 99999.999 99999.999 99999.999 99999.999 -2.194 -2.298 -2.418 -2.551 -2.693 -2.847 -3.014 -3.196 -3.397 -3.618 -3.861 -4.126 -4.411 -4.718 -5.047 -5.754 -5.911 -6.072 -6.238 -6.410 -6.588 -6.772 -6.962 -7.160 -7.365 -7.578 -7.798 -8.027 -8.263 -8.504 -8.748 -8.991 -9.230 99999.999 99999.999 99999.999 -2.188 -2.295 -2.416 -2.548 -2.689 -2.841 -3.005 -3.184 -3.382 -3.598 -3.836 -4.094 -4.372 -4.669 -4.986 -5.680 -5.831 -5.987 -6.148 -6.314 -6.485 -6.662 -6.845 -7.034 -7.229 -7.430 -7.636 -7.849 -8.066 -8.287 -8.510 -8.731 -8.949 -9.159 99999.999 99999.999 -2.183 -2.293 -2.414 -2.545 -2.685 -2.835 -2.997 -3.173 -3.367 -3.579 -3.811 -4.064 -4.335 -4.624 -4.932 -5.608 -5.755 -5.906 -6.062 -6.223 -6.388 -6.559 -6.734 -6.916 -7.102 -7.293 -7.490 -7.690 -7.894 -8.100 -8.308 -8.514 -8.717 -8.914 -9.102 -9.278 -2.179 -2.291 -2.413 -2.543 -2.681 -2.830 -2.989 -3.163 -3.352 -3.560 -3.788 -4.034 -4.299 -4.582 -4.882 -5.540 -5.682 -5.829 -5.980 -6.135 -6.295 -6.460 -6.629 -6.804 -6.983 -7.166 -7.354 -7.545 -7.738 -7.934 -8.130 -8.325 -8.517 -8.704 -8.884 -9.054 -2.152 -2.286 -2.410 -2.533 -2.659 -2.791 -2.929 -3.076 -3.235 -3.406 -3.591 -3.791 -4.004 -4.229 -4.467 -4.980 -5.090 -5.201 -5.316 -5.433 -5.552 -5.675 -5.800 -5.928 -6.059 -6.193 -6.329 -6.467 -6.608 -6.750 -6.894 -7.039 -7.185 -7.331 -7.476 -7.621 -2.155 -2.305 -2.428 -2.544 -2.659 -2.775 -2.896 -3.022 -3.155 -3.297 -3.450 -3.612 -3.786 -3.969 -4.161 -4.573 -4.660 -4.749 -4.839 -4.931 -5.025 -5.121 -5.219 -5.319 -5.421 -5.525 -5.631 -5.739 -5.849 -5.961 -6.075 -6.190 -6.307 -6.425 -6.545 -6.665 -2.181 -2.343 -2.464 -2.572 -2.675 -2.778 -2.883 -2.990 -3.103 -3.221 -3.347 -3.480 -3.621 -3.770 -3.927 -4.261 -4.331 -4.403 -4.476 -4.550 -4.625 -4.702 -4.781 -4.861 -4.943 -5.026 -5.110 -5.197 -5.285 -5.375 -5.466 -5.559 -5.654 -5.750 -5.848 -5.947 -2.226 -2.397 -2.514 -2.613 -2.705 -2.796 -2.886 -2.977 -3.072 -3.170 -3.273 -3.381 -3.496 -3.617 -3.744 -4.015 -4.072 -4.130 -4.189 -4.249 -4.310 -4.373 -4.436 -4.501 -4.567 -4.635 -4.703 -4.773 -4.845 -4.918 -4.992 -5.068 -5.145 -5.224 -5.304 -5.386 -2.285 -2.462 -2.575 -2.666 -2.747 -2.825 -2.902 -2.979 -3.057 -3.138 -3.221 -3.309 -3.401 -3.498 -3.599 -3.818 -3.864 -3.911 -3.959 -4.007 -4.057 -4.107 -4.159 -4.212 -4.265 -4.320 -4.376 -4.433 -4.492 -4.551 -4.612 -4.674 -4.738 -4.803 -4.869 -4.937 -2.356 -2.538 -2.646 -2.728 -2.799 -2.865 -2.929 -2.993 -3.057 -3.121 -3.188 -3.257 -3.329 -3.405 -3.486 -3.659 -3.695 -3.733 -3.771 -3.810 -3.850 -3.891 -3.932 -3.975 -4.018 -4.063 -4.108 -4.155 -4.203 -4.252 -4.302 -4.353 -4.405 -4.459 -4.514 -4.571 -2.436 -2.623 -2.726 -2.799 -2.859 -2.914 -2.966 -3.017 -3.067 -3.118 -3.169 -3.222 -3.277 -3.335 -3.396 -3.530 -3.558 -3.588 -3.618 -3.649 -3.680 -3.712 -3.746 -3.779 -3.814 -3.850 -3.887 -3.925 -3.964 -4.003 -4.044 -4.087 -4.130 -4.175 -4.221 -4.268 99999.999 -2.713 -2.813 -2.877 -2.927 -2.970 -3.010 -3.049 -3.087 -3.124 -3.162 -3.201 -3.240 -3.282 -3.327 -3.426 -3.447 -3.469 -3.492 -3.516 -3.540 -3.565 -3.591 -3.617 -3.645 -3.673 -3.702 -3.733 -3.764 -3.796 -3.830 -3.864 -3.900 -3.937 -3.975 -4.015 Pd(SO4)2-2 Pd(SO4)2-(2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 2 2.000 4 1.000 39 -4.261 -4.383 -4.634 -4.943 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.261 -4.383 -4.634 -4.943 -5.287 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.261 -4.383 -4.634 -4.943 -5.286 -5.657 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.259 -4.382 -4.633 -4.942 -5.285 -5.656 -6.055 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.257 -4.381 -4.632 -4.941 -5.284 -5.655 -6.053 -6.482 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.254 -4.378 -4.630 -4.939 -5.282 -5.652 -6.050 -6.478 -6.943 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.249 -4.375 -4.627 -4.936 -5.279 -5.649 -6.046 -6.473 -6.936 -7.447 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.241 -4.370 -4.623 -4.932 -5.274 -5.644 -6.039 -6.465 -6.926 -7.434 -8.012 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.231 -4.363 -4.617 -4.926 -5.268 -5.637 -6.031 -6.454 -6.912 -7.416 -7.987 -8.658 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.218 -4.354 -4.610 -4.919 -5.261 -5.628 -6.020 -6.440 -6.894 -7.392 -7.954 -8.610 -9.408 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.201 -4.343 -4.601 -4.910 -5.251 -5.616 -6.006 -6.422 -6.871 -7.362 -7.913 -8.550 -9.317 -10.286 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.180 -4.329 -4.589 -4.899 -5.238 -5.602 -5.988 -6.400 -6.843 -7.325 -7.862 -8.477 -9.206 -10.115 -11.388 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.164 -4.319 -4.581 -4.891 -5.229 -5.591 -5.975 -6.384 -6.822 -7.298 -7.824 -8.423 -9.125 -9.991 -11.212 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.142 -4.305 -4.569 -4.879 -5.217 -5.576 -5.957 -6.361 -6.793 -7.260 -7.773 -8.349 -9.016 -9.823 -10.945 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.122 -4.292 -4.558 -4.869 -5.205 -5.562 -5.940 -6.339 -6.766 -7.224 -7.724 -8.280 -8.914 -9.668 -10.692 -10.293 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.102 -4.279 -4.548 -4.859 -5.194 -5.549 -5.923 -6.319 -6.739 -7.189 -7.678 -8.216 -8.820 -9.526 -10.458 -10.783 -10.812 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.083 -4.268 -4.539 -4.849 -5.184 -5.537 -5.908 -6.299 -6.714 -7.157 -7.634 -8.155 -8.733 -9.396 -10.245 -10.819 -10.982 -11.127 -11.401 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.065 -4.257 -4.530 -4.841 -5.174 -5.525 -5.893 -6.280 -6.690 -7.126 -7.593 -8.098 -8.652 -9.277 -10.051 -10.761 -10.968 -11.163 -11.365 -11.646 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.048 -4.246 -4.522 -4.833 -5.165 -5.514 -5.879 -6.263 -6.667 -7.096 -7.553 -8.045 -8.578 -9.168 -9.878 -10.679 -10.900 -11.117 -11.334 -11.566 -11.855 -12.264 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.031 -4.237 -4.514 -4.825 -5.157 -5.504 -5.866 -6.246 -6.645 -7.067 -7.516 -7.995 -8.509 -9.070 -9.724 -10.590 -10.815 -11.039 -11.264 -11.495 -11.743 -12.035 -12.402 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.016 -4.228 -4.507 -4.818 -5.149 -5.494 -5.854 -6.229 -6.624 -7.040 -7.481 -7.948 -8.445 -8.980 -9.587 -10.501 -10.724 -10.949 -11.177 -11.408 -11.647 -11.904 -12.194 -12.534 -12.939 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.001 -4.220 -4.501 -4.812 -5.142 -5.485 -5.842 -6.214 -6.604 -7.015 -7.447 -7.904 -8.386 -8.900 -9.466 -10.413 -10.633 -10.856 -11.083 -11.312 -11.548 -11.792 -12.052 -12.336 -12.655 -13.015 -13.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.987 -4.212 -4.495 -4.806 -5.135 -5.476 -5.830 -6.199 -6.585 -6.990 -7.416 -7.863 -8.332 -8.827 -9.361 -10.327 -10.544 -10.764 -10.987 -11.214 -11.446 -11.683 -11.929 -12.188 -12.466 -12.766 -13.093 -13.446 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.974 -4.205 -4.490 -4.801 -5.129 -5.468 -5.820 -6.185 -6.567 -6.966 -7.385 -7.824 -8.282 -8.761 -9.269 -10.245 -10.458 -10.674 -10.893 -11.116 -11.343 -11.575 -11.813 -12.059 -12.315 -12.584 -12.868 -13.169 -13.483 -13.808 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.961 -4.198 -4.485 -4.796 -5.123 -5.461 -5.810 -6.172 -6.549 -6.944 -7.357 -7.788 -8.236 -8.702 -9.189 -10.166 -10.374 -10.586 -10.802 -11.020 -11.243 -11.470 -11.701 -11.938 -12.182 -12.433 -12.693 -12.962 -13.240 -13.525 -13.813 99999.999 99999.999 99999.999 99999.999 99999.999 -3.950 -4.192 -4.481 -4.792 -5.118 -5.454 -5.800 -6.159 -6.533 -6.923 -7.329 -7.753 -8.193 -8.648 -9.120 -10.090 -10.294 -10.502 -10.713 -10.927 -11.145 -11.367 -11.593 -11.823 -12.058 -12.298 -12.543 -12.794 -13.049 -13.308 -13.569 -13.827 -14.080 99999.999 99999.999 99999.999 -3.939 -4.187 -4.477 -4.788 -5.113 -5.447 -5.792 -6.147 -6.517 -6.902 -7.303 -7.721 -8.153 -8.599 -9.059 -10.017 -10.217 -10.421 -10.627 -10.837 -11.051 -11.268 -11.489 -11.713 -11.941 -12.173 -12.408 -12.646 -12.887 -13.130 -13.373 -13.613 -13.848 -14.075 99999.999 99999.999 -3.928 -4.182 -4.474 -4.785 -5.109 -5.441 -5.783 -6.136 -6.502 -6.882 -7.278 -7.690 -8.115 -8.553 -9.004 -9.946 -10.143 -10.342 -10.545 -10.751 -10.960 -11.172 -11.388 -11.607 -11.829 -12.054 -12.282 -12.511 -12.743 -12.974 -13.205 -13.434 -13.657 -13.873 -14.080 -14.273 -3.918 -4.178 -4.471 -4.782 -5.105 -5.436 -5.775 -6.125 -6.487 -6.863 -7.254 -7.660 -8.079 -8.510 -8.953 -9.879 -10.072 -10.267 -10.465 -10.667 -10.872 -11.080 -11.290 -11.504 -11.721 -11.941 -12.162 -12.385 -12.609 -12.833 -13.056 -13.276 -13.492 -13.701 -13.902 -14.091 -3.854 -4.162 -4.467 -4.776 -5.089 -5.404 -5.723 -6.046 -6.376 -6.714 -7.061 -7.418 -7.784 -8.157 -8.539 -9.324 -9.486 -9.649 -9.814 -9.981 -10.149 -10.320 -10.493 -10.668 -10.844 -11.023 -11.203 -11.385 -11.568 -11.753 -11.937 -12.122 -12.307 -12.492 -12.674 -12.856 -3.840 -4.186 -4.500 -4.805 -5.107 -5.408 -5.708 -6.009 -6.312 -6.620 -6.932 -7.251 -7.576 -7.905 -8.240 -8.923 -9.063 -9.203 -9.344 -9.487 -9.631 -9.776 -9.922 -10.070 -10.219 -10.370 -10.522 -10.676 -10.831 -10.987 -11.145 -11.303 -11.463 -11.624 -11.785 -11.947 -3.866 -4.244 -4.561 -4.861 -5.153 -5.439 -5.723 -6.004 -6.285 -6.566 -6.850 -7.137 -7.428 -7.722 -8.019 -8.623 -8.745 -8.868 -8.991 -9.116 -9.241 -9.367 -9.494 -9.622 -9.751 -9.881 -10.012 -10.144 -10.278 -10.413 -10.548 -10.686 -10.824 -10.963 -11.104 -11.246 -3.924 -4.328 -4.647 -4.940 -5.220 -5.493 -5.760 -6.024 -6.285 -6.544 -6.803 -7.064 -7.326 -7.590 -7.856 -8.393 -8.501 -8.610 -8.720 -8.829 -8.940 -9.051 -9.162 -9.275 -9.388 -9.502 -9.617 -9.732 -9.849 -9.967 -10.086 -10.205 -10.326 -10.448 -10.572 -10.696 -4.008 -4.433 -4.753 -5.038 -5.306 -5.565 -5.817 -6.064 -6.307 -6.546 -6.784 -7.021 -7.259 -7.497 -7.736 -8.217 -8.313 -8.411 -8.508 -8.606 -8.704 -8.803 -8.902 -9.001 -9.102 -9.203 -9.304 -9.407 -9.510 -9.614 -9.719 -9.825 -9.931 -10.039 -10.148 -10.258 -4.113 -4.557 -4.875 -5.151 -5.407 -5.653 -5.890 -6.121 -6.347 -6.569 -6.787 -7.004 -7.219 -7.435 -7.650 -8.082 -8.169 -8.256 -8.343 -8.430 -8.518 -8.606 -8.695 -8.784 -8.874 -8.964 -9.054 -9.146 -9.238 -9.330 -9.424 -9.518 -9.614 -9.710 -9.807 -9.905 -4.236 -4.696 -5.012 -5.278 -5.522 -5.753 -5.976 -6.192 -6.402 -6.607 -6.809 -7.007 -7.203 -7.398 -7.592 -7.981 -8.059 -8.137 -8.215 -8.294 -8.373 -8.452 -8.531 -8.611 -8.691 -8.772 -8.853 -8.935 -9.018 -9.101 -9.185 -9.270 -9.356 -9.442 -9.530 -9.618 99999.999 -4.847 -5.160 -5.417 -5.648 -5.865 -6.074 -6.275 -6.470 -6.660 -6.845 -7.026 -7.205 -7.382 -7.557 -7.907 -7.977 -8.047 -8.118 -8.189 -8.259 -8.331 -8.402 -8.474 -8.546 -8.619 -8.692 -8.766 -8.841 -8.916 -8.992 -9.068 -9.146 -9.224 -9.303 -9.384 Pd(SO4)3-4 Pd(SO4)3-4 P-T:All Charge =-4. Radius(Å) = 5.00 Alk. = 0.000 Ref: Shock07 2 3.000 4 1.000 39 -5.864 -6.091 -6.506 -7.000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.864 -6.091 -6.506 -7.000 -7.536 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.863 -6.091 -6.506 -7.000 -7.536 -8.101 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 2 1.000 3 1.000 40 -9.466 -8.680 -8.094 -7.651 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.466 -8.680 -8.094 -7.651 -7.316 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.466 -8.679 -8.094 -7.651 -7.315 -7.068 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 2 4.000 3 1.000 40 -22.993 -20.007 -17.703 -15.887 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -22.993 -20.007 -17.703 -15.887 -14.443 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -22.992 -20.006 -17.702 -15.886 -14.442 -13.294 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -22.634 -19.662 -17.369 -15.558 -14.112 -12.956 -12.034 -11.308 -10.749 -10.335 -10.051 -9.887 -9.839 -9.912 -10.148 -10.537 -10.735 -10.975 -11.272 -11.653 -12.155 -12.812 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -22.605 -19.633 -17.340 -15.529 -14.083 -12.926 -12.002 -11.274 -10.712 -10.293 -10.003 -9.829 -9.766 -9.815 -10.005 -10.382 -10.553 -10.756 -10.996 -11.286 -11.642 -12.084 -12.630 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -22.576 -19.604 -17.311 -15.500 -14.054 -12.896 -11.971 -11.241 -10.676 -10.253 -9.957 -9.774 -9.697 -9.725 -9.878 -10.244 -10.396 -10.573 -10.778 -11.018 -11.301 -11.637 -12.036 -12.508 -13.053 99999.999 99999.999 99999.999 99999.999 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-10.597 -9.787 -9.125 -8.582 -8.140 -7.782 -7.496 -7.272 -7.101 -6.895 -6.872 -6.855 -6.843 -6.837 -6.835 -6.837 -6.845 -6.856 -6.872 -6.891 -6.915 -6.942 -6.973 -7.008 -7.046 -7.087 -7.132 -7.180 -7.230 -7.284 99999.999 -18.664 -16.166 -14.245 -12.722 -11.496 -10.498 -9.683 -9.013 -8.464 -8.014 -7.648 -7.353 -7.119 -6.939 -6.709 -6.682 -6.660 -6.643 -6.631 -6.625 -6.622 -6.624 -6.630 -6.641 -6.655 -6.673 -6.695 -6.721 -6.749 -6.782 -6.817 -6.856 -6.898 -6.943 -6.991 PtO,aq PtO(AQ) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 2.000 Ref: Shock07 3 -2.000 1 1.000 2 1.000 40 -4.947 -4.429 -3.975 -3.572 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.947 -4.429 -3.975 -3.572 -3.214 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.947 -4.429 -3.975 -3.572 -3.214 -2.895 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-5.041 -4.514 -4.051 -3.639 -3.271 -2.941 -2.647 -2.386 -2.154 -1.951 -1.776 -1.628 -1.506 -1.415 -1.385 0.154 1.037 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.054 -4.526 -4.062 -3.648 -3.279 -2.948 -2.653 -2.389 -2.156 -1.951 -1.772 -1.619 -1.490 -1.387 -1.338 -0.274 0.125 0.727 1.532 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.068 -4.538 -4.073 -3.658 -3.287 -2.955 -2.658 -2.393 -2.158 -1.950 -1.768 -1.610 -1.475 -1.361 -1.293 -0.466 -0.221 0.116 0.573 1.142 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.081 -4.551 -4.084 -3.668 -3.296 -2.963 -2.664 -2.397 -2.160 -1.950 -1.765 -1.603 -1.461 -1.339 -1.252 -0.574 -0.398 -0.172 0.119 0.486 0.921 1.385 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.095 -4.563 -4.095 -3.678 -3.305 -2.970 -2.670 -2.401 -2.162 -1.950 -1.763 -1.597 -1.449 -1.318 -1.215 -0.642 -0.503 -0.334 -0.127 0.128 0.434 0.784 1.157 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.108 -4.575 -4.106 -3.688 -3.313 -2.977 -2.676 -2.406 -2.165 -1.951 -1.760 -1.591 -1.439 -1.301 -1.184 -0.686 -0.571 -0.435 -0.275 -0.084 0.142 0.404 0.696 1.006 1.317 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.122 -4.588 -4.117 -3.698 -3.322 -2.985 -2.682 -2.410 -2.168 -1.951 -1.759 -1.586 -1.430 -1.286 -1.158 -0.717 -0.617 -0.503 -0.372 -0.220 -0.044 0.158 0.387 0.638 0.903 1.172 1.435 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.136 -4.600 -4.128 -3.707 -3.331 -2.992 -2.688 -2.415 -2.170 -1.952 -1.758 -1.582 -1.423 -1.274 -1.137 -0.738 -0.649 -0.550 -0.438 -0.312 -0.169 -0.006 0.177 0.380 0.600 0.832 1.069 1.305 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.149 -4.613 -4.139 -3.717 -3.339 -3.000 -2.694 -2.419 -2.173 -1.954 -1.757 -1.579 -1.416 -1.264 -1.120 -0.754 -0.672 -0.583 -0.485 -0.377 -0.256 -0.120 0.031 0.198 0.381 0.576 0.782 0.994 1.209 1.424 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.163 -4.625 -4.150 -3.727 -3.348 -3.007 -2.700 -2.424 -2.177 -1.955 -1.756 -1.576 -1.411 -1.256 -1.108 -0.764 -0.688 -0.607 -0.519 -0.423 -0.318 -0.202 -0.074 0.067 0.220 0.386 0.563 0.749 0.941 1.138 1.337 99999.999 99999.999 99999.999 99999.999 99999.999 -5.177 -4.637 -4.162 -3.737 -3.357 -3.015 -2.706 -2.429 -2.180 -1.957 -1.756 -1.574 -1.407 -1.250 -1.099 -0.771 -0.700 -0.624 -0.544 -0.457 -0.364 -0.262 -0.151 -0.030 0.102 0.244 0.396 0.558 0.728 0.904 1.085 1.270 1.459 99999.999 99999.999 99999.999 -5.191 -4.650 -4.173 -3.747 -3.366 -3.022 -2.713 -2.434 -2.184 -1.959 -1.756 -1.573 -1.404 -1.245 -1.093 -0.776 -0.708 -0.637 -0.562 -0.482 -0.398 -0.307 -0.208 -0.102 0.013 0.136 0.269 0.410 0.559 0.715 0.877 1.045 1.218 1.396 99999.999 99999.999 -5.204 -4.662 -4.184 -3.758 -3.375 -3.030 -2.719 -2.439 -2.187 -1.961 -1.756 -1.571 -1.401 -1.242 -1.088 -0.779 -0.713 -0.646 -0.575 -0.501 -0.423 -0.340 -0.251 -0.157 -0.055 0.054 0.170 0.294 0.426 0.564 0.709 0.860 1.017 1.179 1.346 1.518 -5.218 -4.675 -4.195 -3.768 -3.384 -3.038 -2.726 -2.444 -2.191 -1.963 -1.757 -1.571 -1.399 -1.239 -1.085 -0.780 -0.717 -0.652 -0.585 -0.515 -0.442 -0.365 -0.284 -0.198 -0.107 -0.010 0.094 0.204 0.321 0.444 0.573 0.708 0.850 0.996 1.148 1.306 -5.357 -4.800 -4.309 -3.870 -3.475 -3.118 -2.795 -2.501 -2.234 -1.992 -1.772 -1.571 -1.387 -1.216 -1.056 -0.760 -0.704 -0.648 -0.593 -0.538 -0.484 -0.430 -0.376 -0.322 -0.267 -0.213 -0.158 -0.103 -0.047 0.010 0.068 0.127 0.187 0.248 0.312 0.376 -5.498 -4.927 -4.423 -3.973 -3.568 -3.201 -2.868 -2.563 -2.285 -2.031 -1.799 -1.585 -1.389 -1.208 -1.038 -0.730 -0.672 -0.616 -0.561 -0.507 -0.453 -0.401 -0.350 -0.300 -0.251 -0.203 -0.155 -0.108 -0.062 -0.017 0.028 0.072 0.115 0.158 0.200 0.242 -5.639 -5.054 -4.539 -4.078 -3.663 -3.287 -2.944 -2.630 -2.342 -2.078 -1.834 -1.610 -1.403 -1.211 -1.032 -0.707 -0.647 -0.588 -0.530 -0.474 -0.419 -0.365 -0.313 -0.261 -0.211 -0.162 -0.115 -0.068 -0.023 0.022 0.065 0.107 0.148 0.188 0.227 0.264 -5.782 -5.182 -4.655 -4.184 -3.759 -3.374 -3.022 -2.700 -2.403 -2.130 -1.877 -1.643 -1.426 -1.224 -1.036 -0.694 -0.631 -0.569 -0.508 -0.449 -0.391 -0.335 -0.280 -0.226 -0.174 -0.123 -0.073 -0.025 0.023 0.068 0.113 0.157 0.199 0.240 0.280 0.318 -5.924 -5.310 -4.771 -4.290 -3.856 -3.462 -3.102 -2.772 -2.467 -2.185 -1.924 -1.681 -1.455 -1.245 -1.048 -0.690 -0.624 -0.559 -0.495 -0.433 -0.373 -0.314 -0.256 -0.200 -0.145 -0.091 -0.039 0.012 0.062 0.110 0.157 0.203 0.248 0.291 0.333 0.374 -6.066 -5.438 -4.887 -4.396 -3.953 -3.551 -3.183 -2.845 -2.533 -2.244 -1.975 -1.724 -1.491 -1.272 -1.067 -0.694 -0.625 -0.557 -0.491 -0.426 -0.363 -0.301 -0.240 -0.181 -0.124 -0.068 -0.013 0.041 0.093 0.144 0.193 0.242 0.289 0.334 0.379 0.422 -6.208 -5.565 -5.004 -4.503 -4.051 -3.640 -3.265 -2.920 -2.601 -2.304 -2.029 -1.771 -1.530 -1.304 -1.092 -0.705 -0.633 -0.562 -0.493 -0.426 -0.360 -0.296 -0.233 -0.171 -0.111 -0.052 0.005 0.061 0.115 0.169 0.221 0.271 0.321 0.369 0.416 0.461 99999.999 -5.692 -5.120 -4.609 -4.149 -3.731 -3.348 -2.996 -2.670 -2.367 -2.085 -1.820 -1.573 -1.340 -1.121 -0.721 -0.646 -0.573 -0.502 -0.432 -0.364 -0.297 -0.232 -0.168 -0.106 -0.045 0.015 0.073 0.130 0.186 0.240 0.293 0.344 0.395 0.444 0.491 PtOH+ Pt(OH)+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 3 -1.000 1 1.000 2 1.000 40 -2.686 -2.457 -2.273 -2.118 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.686 -2.457 -2.273 -2.118 -1.985 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.686 -2.458 -2.273 -2.118 -1.986 -1.872 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.704 -2.474 -2.288 -2.131 -1.997 -1.882 -1.784 -1.701 -1.634 -1.580 -1.543 -1.523 -1.519 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.712 -2.481 -2.294 -2.137 -2.002 -1.886 -1.787 -1.704 -1.635 -1.581 -1.542 -1.519 -1.513 -1.508 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.722 -2.489 -2.302 -2.144 -2.008 -1.892 -1.792 -1.707 -1.637 -1.581 -1.540 -1.515 -1.506 -1.506 -1.450 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.730 -2.496 -2.308 -2.149 -2.013 -1.896 -1.795 -1.710 -1.639 -1.582 -1.539 -1.512 -1.499 -1.500 -1.500 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.741 -2.506 -2.317 -2.157 -2.020 -1.902 -1.800 -1.714 -1.642 -1.583 -1.538 -1.507 -1.491 -1.488 -1.511 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.752 -2.516 -2.326 -2.165 -2.027 -1.908 -1.806 -1.718 -1.645 -1.585 -1.538 -1.504 -1.482 -1.474 -1.498 0.730 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.763 -2.526 -2.335 -2.173 -2.034 -1.914 -1.811 -1.723 -1.648 -1.586 -1.537 -1.500 -1.475 -1.461 -1.478 -0.514 0.092 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.774 -2.536 -2.344 -2.181 -2.041 -1.921 -1.816 -1.727 -1.651 -1.588 -1.537 -1.497 -1.468 -1.448 -1.456 -0.820 -0.556 -0.145 0.421 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.785 -2.546 -2.352 -2.189 -2.049 -1.927 -1.822 -1.731 -1.655 -1.590 -1.538 -1.495 -1.462 -1.437 -1.433 -0.961 -0.805 -0.583 -0.274 0.122 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.797 -2.556 -2.362 -2.197 -2.056 -1.933 -1.827 -1.736 -1.658 -1.593 -1.538 -1.493 -1.456 -1.426 -1.413 -1.043 -0.935 -0.792 -0.602 -0.355 -0.056 0.273 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.808 -2.566 -2.371 -2.205 -2.063 -1.940 -1.833 -1.741 -1.662 -1.595 -1.539 -1.492 -1.452 -1.418 -1.395 -1.097 -1.016 -0.913 -0.782 -0.617 -0.413 -0.174 0.087 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.819 -2.576 -2.380 -2.214 -2.071 -1.946 -1.839 -1.745 -1.665 -1.597 -1.540 -1.491 -1.449 -1.410 -1.380 -1.134 -1.070 -0.991 -0.894 -0.774 -0.628 -0.455 -0.257 -0.043 0.176 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.830 -2.586 -2.389 -2.222 -2.078 -1.953 -1.844 -1.750 -1.669 -1.600 -1.541 -1.491 -1.446 -1.405 -1.368 -1.161 -1.108 -1.045 -0.969 -0.877 -0.767 -0.638 -0.487 -0.320 -0.139 0.048 0.234 99999.999 99999.999 99999.999 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-1.114 -1.070 -1.020 -0.964 -0.900 -0.829 -0.749 -0.661 -0.565 -0.461 -0.351 -0.236 -0.116 0.007 0.134 99999.999 99999.999 99999.999 -2.887 -2.637 -2.435 -2.263 -2.116 -1.987 -1.874 -1.775 -1.689 -1.615 -1.551 -1.495 -1.444 -1.395 -1.346 -1.228 -1.199 -1.167 -1.132 -1.093 -1.050 -1.002 -0.947 -0.887 -0.820 -0.746 -0.665 -0.577 -0.482 -0.382 -0.277 -0.167 -0.054 0.063 99999.999 99999.999 -2.899 -2.647 -2.444 -2.272 -2.123 -1.993 -1.880 -1.780 -1.694 -1.619 -1.554 -1.497 -1.445 -1.396 -1.347 -1.235 -1.208 -1.179 -1.147 -1.112 -1.074 -1.031 -0.984 -0.932 -0.875 -0.812 -0.743 -0.667 -0.586 -0.500 -0.408 -0.312 -0.211 -0.106 0.003 0.115 -2.910 -2.657 -2.453 -2.280 -2.131 -2.000 -1.886 -1.785 -1.698 -1.622 -1.556 -1.498 -1.446 -1.397 -1.348 -1.240 -1.215 -1.188 -1.159 -1.127 -1.093 -1.055 -1.014 -0.968 -0.919 -0.864 -0.804 -0.740 -0.670 -0.595 -0.515 -0.430 -0.341 -0.248 -0.151 -0.050 -3.026 -2.760 -2.547 -2.365 -2.208 -2.070 -1.948 -1.841 -1.745 -1.661 -1.587 -1.521 -1.463 -1.409 -1.359 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-1.441 -1.317 -1.294 -1.272 -1.250 -1.230 -1.209 -1.190 -1.170 -1.152 -1.134 -1.117 -1.100 -1.084 -1.068 -1.053 -1.038 -1.024 -1.011 -0.998 -0.986 -0.974 -3.617 -3.287 -3.025 -2.804 -2.612 -2.442 -2.290 -2.153 -2.029 -1.915 -1.811 -1.716 -1.628 -1.547 -1.472 -1.339 -1.314 -1.291 -1.268 -1.245 -1.223 -1.202 -1.182 -1.162 -1.143 -1.124 -1.106 -1.088 -1.071 -1.055 -1.039 -1.024 -1.009 -0.995 -0.982 -0.969 -3.735 -3.392 -3.121 -2.893 -2.694 -2.518 -2.361 -2.219 -2.090 -1.971 -1.863 -1.763 -1.670 -1.585 -1.506 -1.364 -1.338 -1.313 -1.288 -1.264 -1.241 -1.219 -1.197 -1.175 -1.155 -1.134 -1.115 -1.096 -1.078 -1.060 -1.043 -1.026 -1.011 -0.995 -0.981 -0.966 99999.999 -3.497 -3.217 -2.981 -2.776 -2.594 -2.432 -2.285 -2.151 -2.029 -1.916 -1.811 -1.715 -1.625 -1.542 -1.392 -1.365 -1.338 -1.312 -1.287 -1.262 -1.238 -1.215 -1.192 -1.170 -1.148 -1.128 -1.108 -1.088 -1.069 -1.051 -1.033 -1.016 -0.999 -0.983 -0.968 PtSO4,aq Pt(SO4)(AQ) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 2 1.000 4 1.000 40 -2.918 -2.910 -2.978 -3.085 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.918 -2.910 -2.978 -3.085 -3.222 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.917 -2.910 -2.977 -3.085 -3.222 -3.388 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-2.853 -2.926 -3.028 -3.153 -3.301 -3.472 -3.670 -3.898 -4.163 -4.471 -4.833 -5.268 -5.808 -6.575 -6.767 -6.844 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.822 -2.847 -2.920 -3.022 -3.145 -3.290 -3.458 -3.652 -3.875 -4.132 -4.429 -4.775 -5.183 -5.681 -6.367 -6.749 -6.900 -7.060 -7.374 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.813 -2.841 -2.915 -3.016 -3.138 -3.280 -3.445 -3.635 -3.852 -4.102 -4.389 -4.720 -5.105 -5.566 -6.179 -6.667 -6.843 -7.020 -7.219 -7.512 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.804 -2.835 -2.910 -3.010 -3.131 -3.271 -3.433 -3.618 -3.831 -4.074 -4.352 -4.669 -5.033 -5.460 -6.010 -6.571 -6.752 -6.937 -7.130 -7.349 -7.634 -8.044 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.795 -2.830 -2.905 -3.005 -3.124 -3.262 -3.421 -3.602 -3.810 -4.047 -4.316 -4.620 -4.966 -5.365 -5.860 -6.473 -6.653 -6.838 -7.029 -7.232 -7.461 -7.739 -8.096 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.787 -2.825 -2.901 -3.000 -3.117 -3.253 -3.409 -3.587 -3.790 -4.021 -4.282 -4.575 -4.904 -5.278 -5.727 -6.377 -6.553 -6.734 -6.922 -7.118 -7.328 -7.560 -7.829 -8.152 -8.541 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.780 -2.821 -2.897 -2.995 -3.111 -3.245 -3.398 -3.573 -3.771 -3.996 -4.249 -4.532 -4.847 -5.199 -5.609 -6.285 -6.456 -6.632 -6.815 -7.005 -7.204 -7.416 -7.648 -7.908 -8.204 -8.543 -8.924 99999.999 99999.999 99999.999 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-6.421 -6.586 -6.757 -6.934 -7.117 -7.306 -7.502 -7.705 -7.915 -8.132 -8.355 -8.584 -8.814 -9.044 -9.268 99999.999 99999.999 99999.999 -2.748 -2.804 -2.882 -2.977 -3.086 -3.210 -3.350 -3.508 -3.686 -3.886 -4.108 -4.352 -4.618 -4.903 -5.209 -5.879 -6.026 -6.177 -6.332 -6.492 -6.658 -6.828 -7.004 -7.185 -7.372 -7.564 -7.762 -7.964 -8.171 -8.381 -8.591 -8.801 -9.006 -9.204 99999.999 99999.999 -2.743 -2.801 -2.880 -2.974 -3.082 -3.204 -3.341 -3.496 -3.671 -3.866 -4.083 -4.322 -4.580 -4.858 -5.154 -5.808 -5.950 -6.097 -6.247 -6.402 -6.562 -6.727 -6.896 -7.071 -7.250 -7.434 -7.622 -7.814 -8.008 -8.205 -8.402 -8.597 -8.789 -8.974 -9.151 -9.315 -2.738 -2.799 -2.878 -2.971 -3.078 -3.198 -3.333 -3.485 -3.656 -3.847 -4.059 -4.292 -4.544 -4.815 -5.104 -5.740 -5.878 -6.020 -6.166 -6.316 -6.471 -6.630 -6.794 -6.962 -7.135 -7.311 -7.491 -7.675 -7.860 -8.047 -8.234 -8.420 -8.602 -8.778 -8.948 -9.107 -2.709 -2.793 -2.873 -2.960 -3.054 -3.157 -3.271 -3.397 -3.536 -3.690 -3.860 -4.045 -4.245 -4.459 -4.686 -5.180 -5.285 -5.393 -5.504 -5.617 -5.733 -5.852 -5.974 -6.098 -6.225 -6.355 -6.487 -6.622 -6.759 -6.897 -7.037 -7.178 -7.319 -7.461 -7.602 -7.742 -2.710 -2.810 -2.890 -2.969 -3.051 -3.140 -3.236 -3.340 -3.454 -3.579 -3.715 -3.864 -4.024 -4.196 -4.377 -4.770 -4.853 -4.938 -5.025 -5.114 -5.205 -5.298 -5.392 -5.489 -5.588 -5.689 -5.792 -5.897 -6.004 -6.113 -6.224 -6.336 -6.450 -6.565 -6.682 -6.800 -2.735 -2.846 -2.924 -2.994 -3.066 -3.141 -3.221 -3.307 -3.400 -3.500 -3.610 -3.729 -3.857 -3.994 -4.140 -4.455 -4.521 -4.590 -4.659 -4.730 -4.802 -4.876 -4.952 -5.029 -5.107 -5.188 -5.270 -5.353 -5.439 -5.526 -5.615 -5.705 -5.797 -5.891 -5.987 -6.084 -2.778 -2.898 -2.972 -3.034 -3.095 -3.157 -3.222 -3.292 -3.367 -3.447 -3.534 -3.628 -3.729 -3.838 -3.954 -4.206 -4.259 -4.314 -4.370 -4.427 -4.485 -4.544 -4.604 -4.666 -4.729 -4.794 -4.860 -4.927 -4.996 -5.067 -5.139 -5.212 -5.287 -5.364 -5.442 -5.521 -2.835 -2.962 -3.032 -3.085 -3.135 -3.185 -3.237 -3.292 -3.351 -3.413 -3.481 -3.553 -3.632 -3.717 -3.808 -4.006 -4.049 -4.092 -4.137 -4.182 -4.228 -4.276 -4.324 -4.374 -4.425 -4.477 -4.530 -4.584 -4.640 -4.697 -4.756 -4.816 -4.877 -4.940 -5.004 -5.070 -2.905 -3.036 -3.102 -3.147 -3.185 -3.223 -3.263 -3.304 -3.348 -3.395 -3.445 -3.500 -3.559 -3.623 -3.692 -3.845 -3.878 -3.912 -3.947 -3.982 -4.019 -4.057 -4.095 -4.135 -4.175 -4.217 -4.260 -4.304 -4.349 -4.395 -4.443 -4.492 -4.542 -4.593 -4.646 -4.701 -2.984 -3.119 -3.180 -3.216 -3.244 -3.271 -3.298 -3.326 -3.357 -3.390 -3.425 -3.463 -3.505 -3.550 -3.600 -3.714 -3.739 -3.764 -3.791 -3.818 -3.847 -3.876 -3.906 -3.937 -3.969 -4.002 -4.036 -4.071 -4.107 -4.144 -4.183 -4.223 -4.264 -4.306 -4.350 -4.395 99999.999 -3.209 -3.265 -3.293 -3.310 -3.325 -3.341 -3.357 -3.375 -3.395 -3.416 -3.440 -3.466 -3.496 -3.529 -3.607 -3.625 -3.644 -3.663 -3.683 -3.704 -3.726 -3.749 -3.772 -3.797 -3.822 -3.849 -3.876 -3.905 -3.935 -3.966 -3.998 -4.031 -4.066 -4.102 -4.139 Pt(SO4)2-2 Pt(SO4)2-2 P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 2 2.000 4 1.000 40 -4.611 -4.699 -4.920 -5.204 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.611 -4.699 -4.920 -5.204 -5.525 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.611 -4.698 -4.920 -5.203 -5.525 -5.877 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.609 -4.697 -4.919 -5.202 -5.524 -5.876 -6.257 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.607 -4.696 -4.918 -5.201 -5.523 -5.874 -6.255 -6.669 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.604 -4.693 -4.916 -5.199 -5.520 -5.872 -6.252 -6.665 -7.116 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.598 -4.690 -4.913 -5.196 -5.517 -5.868 -6.248 -6.660 -7.109 -7.608 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.591 -4.685 -4.908 -5.192 -5.513 -5.863 -6.241 -6.652 -7.099 -7.595 -8.161 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.580 -4.678 -4.902 -5.186 -5.506 -5.855 -6.233 -6.641 -7.085 -7.577 -8.136 -8.797 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.567 -4.669 -4.895 -5.179 -5.498 -5.846 -6.221 -6.627 -7.067 -7.553 -8.104 -8.749 -9.537 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.550 -4.657 -4.885 -5.169 -5.488 -5.834 -6.207 -6.609 -7.044 -7.523 -8.062 -8.689 -9.445 -10.403 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.528 -4.643 -4.873 -5.158 -5.476 -5.820 -6.189 -6.586 -7.016 -7.486 -8.011 -8.616 -9.335 -10.233 -11.489 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.512 -4.632 -4.864 -5.149 -5.466 -5.809 -6.176 -6.570 -6.995 -7.458 -7.973 -8.561 -9.254 -10.109 -11.317 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.490 -4.618 -4.852 -5.138 -5.453 -5.794 -6.157 -6.547 -6.965 -7.420 -7.921 -8.488 -9.144 -9.942 -11.053 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.469 -4.604 -4.841 -5.126 -5.441 -5.779 -6.140 -6.525 -6.937 -7.383 -7.872 -8.418 -9.043 -9.787 -10.800 -10.284 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.448 -4.591 -4.831 -5.116 -5.430 -5.766 -6.123 -6.504 -6.911 -7.349 -7.826 -8.353 -8.948 -9.645 -10.567 -10.838 -10.834 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.429 -4.579 -4.821 -5.106 -5.419 -5.753 -6.107 -6.484 -6.885 -7.316 -7.782 -8.293 -8.861 -9.515 -10.354 -10.888 -11.036 -11.157 -11.396 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.411 -4.568 -4.811 -5.097 -5.409 -5.741 -6.092 -6.465 -6.861 -7.284 -7.740 -8.236 -8.780 -9.395 -10.161 -10.838 -11.035 -11.216 -11.399 -11.655 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.393 -4.557 -4.803 -5.089 -5.400 -5.730 -6.078 -6.446 -6.837 -7.254 -7.701 -8.182 -8.705 -9.287 -9.987 -10.760 -10.973 -11.181 -11.385 -11.601 -11.871 -12.257 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.376 -4.547 -4.795 -5.081 -5.391 -5.719 -6.064 -6.429 -6.815 -7.226 -7.663 -8.132 -8.636 -9.188 -9.833 -10.674 -10.892 -11.109 -11.325 -11.544 -11.779 -12.055 -12.404 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.360 -4.537 -4.787 -5.074 -5.383 -5.709 -6.052 -6.413 -6.794 -7.198 -7.628 -8.085 -8.572 -9.098 -9.696 -10.586 -10.804 -11.023 -11.243 -11.466 -11.695 -11.940 -12.216 -12.540 -12.929 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.345 -4.529 -4.781 -5.067 -5.375 -5.699 -6.039 -6.397 -6.774 -7.172 -7.594 -8.041 -8.513 -9.017 -9.575 -10.500 -10.715 -10.933 -11.153 -11.376 -11.603 -11.838 -12.087 -12.360 -12.665 -13.011 -13.399 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.331 -4.521 -4.774 -5.061 -5.368 -5.690 -6.028 -6.382 -6.754 -7.147 -7.562 -7.999 -8.459 -8.944 -9.470 -10.415 -10.628 -10.843 -11.061 -11.281 -11.506 -11.736 -11.973 -12.223 -12.490 -12.779 -13.093 -13.432 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.317 -4.513 -4.769 -5.055 -5.361 -5.682 -6.017 -6.368 -6.736 -7.124 -7.532 -7.960 -8.409 -8.879 -9.378 -10.334 -10.543 -10.754 -10.969 -11.186 -11.408 -11.633 -11.864 -12.102 -12.349 -12.609 -12.882 -13.172 -13.474 -13.787 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.304 -4.506 -4.764 -5.050 -5.355 -5.674 -6.007 -6.354 -6.718 -7.101 -7.503 -7.923 -8.362 -8.819 -9.298 -10.256 -10.460 -10.668 -10.879 -11.093 -11.310 -11.531 -11.757 -11.987 -12.223 -12.466 -12.717 -12.977 -13.245 -13.520 -13.797 99999.999 99999.999 99999.999 99999.999 99999.999 -4.292 -4.500 -4.759 -5.046 -5.349 -5.667 -5.997 -6.341 -6.701 -7.079 -7.475 -7.889 -8.319 -8.765 -9.228 -10.180 -10.381 -10.585 -10.791 -11.001 -11.215 -11.432 -11.652 -11.876 -12.105 -12.337 -12.575 -12.818 -13.065 -13.315 -13.566 -13.815 -14.058 99999.999 99999.999 99999.999 -4.280 -4.494 -4.755 -5.041 -5.344 -5.660 -5.988 -6.329 -6.685 -7.058 -7.449 -7.856 -8.279 -8.716 -9.167 -10.108 -10.304 -10.504 -10.707 -10.913 -11.122 -11.334 -11.550 -11.769 -11.991 -12.217 -12.446 -12.677 -12.911 -13.146 -13.380 -13.612 -13.839 -14.057 99999.999 99999.999 -4.269 -4.489 -4.751 -5.038 -5.340 -5.654 -5.979 -6.317 -6.670 -7.038 -7.423 -7.825 -8.241 -8.670 -9.112 -10.038 -10.231 -10.427 -10.625 -10.827 -11.032 -11.240 -11.451 -11.666 -11.883 -12.102 -12.324 -12.548 -12.773 -12.998 -13.221 -13.442 -13.658 -13.866 -14.064 -14.249 -4.259 -4.484 -4.748 -5.035 -5.336 -5.648 -5.971 -6.306 -6.655 -7.019 -7.399 -7.795 -8.204 -8.627 -9.062 -9.971 -10.160 -10.352 -10.547 -10.745 -10.945 -11.149 -11.356 -11.566 -11.778 -11.992 -12.209 -12.426 -12.644 -12.862 -13.079 -13.292 -13.501 -13.703 -13.896 -14.078 -4.190 -4.464 -4.740 -5.025 -5.316 -5.613 -5.915 -6.224 -6.541 -6.867 -7.204 -7.551 -7.907 -8.273 -8.646 -9.417 -9.576 -9.736 -9.898 -10.062 -10.228 -10.396 -10.566 -10.738 -10.912 -11.088 -11.265 -11.444 -11.624 -11.805 -11.987 -12.169 -12.351 -12.532 -12.712 -12.890 -4.172 -4.484 -4.769 -5.050 -5.331 -5.613 -5.897 -6.184 -6.474 -6.770 -7.072 -7.381 -7.697 -8.019 -8.346 -9.015 -9.152 -9.290 -9.429 -9.569 -9.710 -9.853 -9.997 -10.142 -10.289 -10.438 -10.588 -10.739 -10.891 -11.045 -11.201 -11.357 -11.515 -11.673 -11.832 -11.992 -4.195 -4.538 -4.827 -5.103 -5.373 -5.642 -5.909 -6.176 -6.444 -6.714 -6.988 -7.265 -7.547 -7.834 -8.123 -8.713 -8.833 -8.954 -9.075 -9.197 -9.320 -9.443 -9.568 -9.694 -9.821 -9.949 -10.078 -10.208 -10.340 -10.472 -10.606 -10.741 -10.878 -11.015 -11.154 -11.294 -4.249 -4.618 -4.910 -5.178 -5.438 -5.692 -5.944 -6.193 -6.441 -6.689 -6.939 -7.190 -7.443 -7.699 -7.958 -8.482 -8.588 -8.695 -8.802 -8.909 -9.017 -9.126 -9.236 -9.346 -9.457 -9.569 -9.682 -9.796 -9.911 -10.027 -10.144 -10.262 -10.381 -10.501 -10.623 -10.745 -4.330 -4.721 -5.012 -5.273 -5.521 -5.762 -5.998 -6.231 -6.461 -6.689 -6.917 -7.145 -7.374 -7.604 -7.836 -8.304 -8.398 -8.493 -8.589 -8.684 -8.780 -8.877 -8.974 -9.071 -9.170 -9.269 -9.369 -9.469 -9.571 -9.673 -9.776 -9.880 -9.986 -10.092 -10.199 -10.308 -4.432 -4.841 -5.131 -5.383 -5.619 -5.846 -6.068 -6.285 -6.499 -6.709 -6.918 -7.126 -7.333 -7.540 -7.748 -8.168 -8.252 -8.337 -8.422 -8.507 -8.593 -8.679 -8.766 -8.853 -8.940 -9.029 -9.118 -9.207 -9.297 -9.389 -9.480 -9.573 -9.667 -9.762 -9.857 -9.954 -4.551 -4.976 -5.264 -5.507 -5.731 -5.944 -6.152 -6.354 -6.552 -6.746 -6.937 -7.126 -7.314 -7.501 -7.689 -8.065 -8.141 -8.216 -8.293 -8.369 -8.446 -8.523 -8.601 -8.679 -8.757 -8.836 -8.916 -8.996 -9.077 -9.158 -9.241 -9.324 -9.408 -9.493 -9.579 -9.666 99999.999 -5.124 -5.410 -5.643 -5.854 -6.054 -6.247 -6.434 -6.617 -6.796 -6.971 -7.144 -7.314 -7.483 -7.652 -7.989 -8.057 -8.125 -8.194 -8.262 -8.331 -8.400 -8.470 -8.540 -8.611 -8.682 -8.753 -8.825 -8.898 -8.972 -9.046 -9.121 -9.197 -9.274 -9.352 -9.430 Pt(SO4)3-4 Pt(SO4)3-4 P-T:All Charge =-4. Radius(Å) = 5.00 Alk. = 0.000 Ref: Shock07 2 3.000 4 1.000 40 -5.779 -6.003 -6.415 -6.905 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.779 -6.003 -6.415 -6.905 -7.437 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.778 -6.003 -6.414 -6.904 -7.437 -7.998 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.776 -6.001 -6.413 -6.903 -7.435 -7.996 -8.583 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.773 -5.999 -6.411 -6.902 -7.434 -7.994 -8.581 -9.195 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.768 -5.995 -6.408 -6.899 -7.431 -7.991 -8.577 -9.191 -9.837 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.714 -5.959 -6.379 -6.871 -7.403 -7.960 -8.541 -9.147 -9.783 -10.458 -11.194 -12.021 -12.986 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.688 -5.942 -6.365 -6.858 -7.390 -7.946 -8.524 -9.127 -9.757 -10.426 -11.150 -11.958 -12.891 -14.020 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.657 -5.921 -6.348 -6.843 -7.373 -7.928 -8.504 -9.102 -9.726 -10.386 -11.096 -11.881 -12.776 -13.847 -15.259 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.633 -5.906 -6.335 -6.831 -7.361 -7.915 -8.488 -9.083 -9.703 -10.356 -11.056 -11.824 -12.692 -13.720 -15.094 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.600 -5.885 -6.318 -6.815 -7.345 -7.897 -8.467 -9.057 -9.671 -10.315 -11.000 -11.746 -12.578 -13.547 -14.829 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.568 -5.864 -6.302 -6.800 -7.330 -7.879 -8.447 -9.032 -9.640 -10.275 -10.948 -11.673 -12.472 -13.388 -14.572 -13.965 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.538 -5.845 -6.287 -6.787 -7.315 -7.863 -8.427 -9.009 -9.611 -10.238 -10.899 -11.605 -12.374 -13.241 -14.332 -14.741 -14.687 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.510 -5.827 -6.273 -6.774 -7.302 -7.848 -8.409 -8.987 -9.583 -10.203 -10.853 -11.542 -12.283 -13.105 -14.112 -14.845 -15.005 -15.112 -15.309 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.482 -5.810 -6.260 -6.761 -7.289 -7.834 -8.392 -8.966 -9.557 -10.170 -10.809 -11.482 -12.199 -12.982 -13.913 -14.819 -15.047 -15.248 -15.434 -15.677 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.456 -5.794 -6.248 -6.750 -7.278 -7.820 -8.376 -8.946 -9.532 -10.138 -10.767 -11.426 -12.121 -12.869 -13.734 -14.754 -15.008 -15.249 -15.477 -15.708 -15.981 -16.366 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.431 -5.780 -6.236 -6.740 -7.267 -7.808 -8.361 -8.927 -9.508 -10.107 -10.728 -11.374 -12.049 -12.767 -13.574 -14.676 -14.939 -15.197 -15.448 -15.696 -15.952 -16.241 -16.600 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.407 -5.766 -6.226 -6.730 -7.257 -7.796 -8.347 -8.909 -9.485 -10.078 -10.691 -11.324 -11.983 -12.674 -13.432 -14.593 -14.860 -15.124 -15.385 -15.644 -15.905 -16.175 -16.472 -16.814 -17.219 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.384 -5.753 -6.216 -6.722 -7.247 -7.785 -8.333 -8.892 -9.464 -10.051 -10.655 -11.279 -11.922 -12.591 -13.308 -14.510 -14.776 -15.042 -15.307 -15.571 -15.836 -16.105 -16.383 -16.681 -17.009 -17.376 -17.786 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.362 -5.740 -6.207 -6.713 -7.239 -7.775 -8.321 -8.876 -9.443 -10.025 -10.622 -11.236 -11.866 -12.515 -13.199 -14.428 -14.692 -14.957 -15.223 -15.489 -15.755 -16.023 -16.296 -16.577 -16.873 -17.188 -17.528 -17.891 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.342 -5.729 -6.199 -6.706 -7.231 -7.766 -8.309 -8.861 -9.424 -10.000 -10.591 -11.195 -11.814 -12.448 -13.105 -14.348 -14.610 -14.873 -15.137 -15.402 -15.668 -15.935 -16.205 -16.479 -16.760 -17.051 -17.354 -17.671 -18.000 -18.339 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.322 -5.719 -6.192 -6.700 -7.224 -7.757 -8.298 -8.847 -9.406 -9.977 -10.561 -11.157 -11.766 -12.387 -13.023 -14.270 -14.529 -14.789 -15.051 -15.314 -15.578 -15.844 -16.111 -16.381 -16.655 -16.933 -17.217 -17.509 -17.806 -18.109 -18.414 99999.999 99999.999 99999.999 99999.999 99999.999 -5.304 -5.709 -6.185 -6.694 -7.217 -7.749 -8.287 -8.833 -9.388 -9.954 -10.532 -11.122 -11.722 -12.331 -12.952 -14.195 -14.451 -14.708 -14.966 -15.227 -15.488 -15.752 -16.017 -16.283 -16.552 -16.823 -17.097 -17.374 -17.653 -17.935 -18.216 -18.494 -18.765 99999.999 99999.999 99999.999 -5.286 -5.700 -6.180 -6.689 -7.211 -7.742 -8.278 -8.820 -9.371 -9.933 -10.505 -11.088 -11.680 -12.281 -12.889 -14.123 -14.375 -14.629 -14.884 -15.141 -15.400 -15.660 -15.922 -16.186 -16.450 -16.717 -16.984 -17.252 -17.522 -17.790 -18.057 -18.320 -18.576 -18.823 99999.999 99999.999 -5.270 -5.692 -6.174 -6.684 -7.206 -7.735 -8.269 -8.808 -9.356 -9.912 -10.479 -11.056 -11.642 -12.234 -12.834 -14.054 -14.302 -14.552 -14.804 -15.058 -15.313 -15.570 -15.829 -16.089 -16.350 -16.613 -16.875 -17.138 -17.401 -17.662 -17.920 -18.174 -18.422 -18.661 -18.889 -19.102 -5.254 -5.685 -6.170 -6.680 -7.202 -7.729 -8.261 -8.797 -9.341 -9.893 -10.455 -11.026 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-12.571 -12.699 -12.827 -12.954 -13.082 -13.209 -13.337 -13.464 -13.591 -13.719 -13.847 -13.975 -14.103 -14.232 -14.361 -14.491 -14.621 -14.752 99999.999 -6.556 -7.107 -7.576 -8.006 -8.413 -8.804 -9.180 -9.543 -9.895 -10.237 -10.570 -10.895 -11.213 -11.526 -12.139 -12.259 -12.380 -12.500 -12.620 -12.739 -12.858 -12.977 -13.096 -13.215 -13.333 -13.452 -13.571 -13.690 -13.810 -13.929 -14.049 -14.170 -14.291 -14.412 -14.534 HS- HS(-) P-T:All Charge =-1. Radius(Å) = 1.84 Alk. = 1.000 Ref: Shock07 3 1.000 1 -2.000 31 1.000 4 152.099 138.317 126.439 116.114 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.099 138.317 126.439 116.114 107.049 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.100 138.318 126.441 116.115 107.050 99.018 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.103 138.321 126.444 116.118 107.053 99.020 91.841 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.109 138.326 126.448 116.122 107.057 99.025 91.845 85.377 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.117 138.334 126.456 116.129 107.064 99.031 91.852 85.384 79.510 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.129 138.346 126.467 116.140 107.074 99.042 91.862 85.394 79.520 74.144 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.147 138.363 126.483 116.156 107.089 99.056 91.877 85.409 79.536 74.161 69.197 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.171 138.386 126.505 116.177 107.110 99.076 91.897 85.429 79.557 74.183 69.223 64.592 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.204 138.417 126.535 116.205 107.137 99.103 91.923 85.456 79.585 74.214 69.258 64.635 60.253 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.247 138.458 126.574 116.242 107.173 99.138 91.958 85.491 79.621 74.253 69.302 64.690 60.330 56.083 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.302 138.511 126.623 116.289 107.218 99.182 92.002 85.535 79.667 74.302 69.358 64.757 60.422 56.238 51.868 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.345 138.551 126.662 116.326 107.254 99.217 92.036 85.570 79.703 74.340 69.400 64.808 60.488 56.343 52.139 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.406 138.609 126.717 116.379 107.304 99.266 92.085 85.618 79.753 74.393 69.459 64.878 60.578 56.476 52.408 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.467 138.667 126.771 116.431 107.354 99.315 92.133 85.667 79.802 74.445 69.516 64.944 60.662 56.594 52.615 42.675 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.528 138.724 126.826 116.482 107.404 99.363 92.180 85.714 79.851 74.497 69.572 65.009 60.741 56.702 52.787 44.819 42.502 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.588 138.781 126.879 116.533 107.453 99.411 92.227 85.762 79.899 74.547 69.627 65.070 60.816 56.800 52.936 45.446 43.712 41.727 39.365 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.649 138.838 126.933 116.584 107.502 99.458 92.274 85.808 79.947 74.596 69.680 65.130 60.888 56.892 53.068 45.807 44.260 42.616 40.819 38.816 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.709 138.895 126.986 116.635 107.551 99.505 92.320 85.854 79.993 74.645 69.732 65.188 60.955 56.977 53.187 46.063 44.607 43.108 41.539 39.871 38.079 36.163 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.769 138.951 127.039 116.685 107.599 99.552 92.366 85.900 80.040 74.693 69.783 65.244 61.021 57.057 53.294 46.265 44.863 43.442 41.989 40.486 38.915 37.267 35.543 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.829 139.007 127.092 116.735 107.647 99.598 92.412 85.945 80.085 74.740 69.833 65.299 61.083 57.133 53.393 46.433 45.067 43.695 42.310 40.901 39.456 37.966 36.426 34.838 33.216 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.888 139.063 127.145 116.785 107.694 99.644 92.457 85.990 80.130 74.786 69.882 65.352 61.143 57.204 53.484 46.578 45.237 43.900 42.560 41.211 39.843 38.452 37.030 35.576 34.093 32.590 31.080 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.948 139.118 127.197 116.835 107.742 99.690 92.501 86.034 80.175 74.832 69.930 65.404 61.201 57.271 53.568 46.706 45.385 44.073 42.765 41.456 40.141 38.815 37.472 36.110 34.728 33.330 31.922 30.514 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.007 139.174 127.249 116.884 107.789 99.735 92.546 86.078 80.219 74.877 69.977 65.455 61.257 57.336 53.646 46.822 45.516 44.223 42.939 41.661 40.383 39.102 37.814 36.516 35.208 33.888 32.562 31.232 29.906 28.592 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.066 139.229 127.300 116.933 107.835 99.780 92.590 86.122 80.263 74.922 70.023 65.504 61.311 57.397 53.720 46.928 45.635 44.357 43.092 41.836 40.586 39.338 38.090 36.840 35.585 34.325 33.060 31.795 30.531 29.276 28.033 99999.999 99999.999 99999.999 99999.999 99999.999 153.125 139.284 127.352 116.981 107.882 99.825 92.633 86.165 80.306 74.966 70.069 65.553 61.364 57.456 53.788 47.025 45.743 44.477 43.227 41.989 40.761 39.539 38.322 37.106 35.892 34.676 33.461 32.246 31.034 29.828 28.632 27.451 26.287 99999.999 99999.999 99999.999 153.184 139.338 127.403 117.030 107.928 99.870 92.677 86.208 80.349 75.010 70.114 65.600 61.415 57.513 53.853 47.116 45.842 44.588 43.350 42.126 40.915 39.714 38.520 37.332 36.149 34.968 33.791 32.616 31.446 30.282 29.127 27.984 26.855 25.745 99999.999 99999.999 153.242 139.393 127.454 117.078 107.974 99.914 92.720 86.250 80.392 75.053 70.158 65.647 61.465 57.567 53.915 47.202 45.936 44.690 43.462 42.251 41.054 39.869 38.694 37.528 36.369 35.216 34.069 32.927 31.791 30.661 29.541 28.431 27.334 26.253 25.190 24.147 153.301 139.447 127.504 117.126 108.019 99.958 92.763 86.292 80.434 75.095 70.202 65.692 61.514 57.621 53.975 47.283 46.023 44.785 43.566 42.365 41.179 40.008 38.849 37.701 36.562 35.431 34.308 33.192 32.084 30.984 29.892 28.811 27.742 26.688 25.649 24.628 153.877 139.978 128.000 117.592 108.463 100.384 93.176 86.697 80.836 75.499 70.614 66.117 61.959 58.096 54.490 47.929 46.706 45.509 44.338 43.189 42.064 40.959 39.875 38.809 37.762 36.732 35.718 34.720 33.738 32.769 31.815 30.875 29.947 29.034 28.133 27.245 154.441 140.494 128.478 118.041 108.888 100.790 93.567 87.079 81.211 75.872 70.988 66.498 62.350 58.502 54.917 48.417 47.210 46.031 44.879 43.752 42.649 41.569 40.512 39.475 38.459 37.462 36.484 35.523 34.580 33.653 32.742 31.847 30.967 30.101 29.249 28.410 154.995 140.997 128.942 118.474 109.297 101.180 93.942 87.442 81.566 76.222 71.337 66.848 62.705 58.865 55.291 48.826 47.628 46.459 45.317 44.201 43.111 42.044 41.000 39.978 38.977 37.996 37.035 36.093 35.168 34.261 33.371 32.497 31.639 30.795 29.966 29.151 155.542 141.489 129.395 118.896 109.694 101.557 94.303 87.790 81.905 76.555 71.666 67.177 63.035 59.199 55.632 49.186 47.994 46.831 45.695 44.586 43.502 42.443 41.407 40.394 39.402 38.431 37.480 36.548 35.634 34.738 33.860 32.998 32.152 31.321 30.505 29.704 156.083 141.972 129.838 119.308 110.081 101.924 94.653 88.128 82.232 76.874 71.980 67.488 63.345 59.510 55.946 49.513 48.324 47.165 46.033 44.928 43.849 42.794 41.764 40.756 39.769 38.804 37.859 36.934 36.027 35.139 34.267 33.413 32.575 31.752 30.945 30.152 156.618 142.448 130.273 119.711 110.459 102.281 94.994 88.455 82.548 77.182 72.282 67.785 63.641 59.805 56.242 49.816 48.629 47.471 46.342 45.240 44.163 43.112 42.085 41.080 40.098 39.137 38.196 37.275 36.372 35.489 34.622 33.773 32.939 32.122 31.320 30.532 157.150 142.919 130.701 120.107 110.830 102.632 95.328 88.774 82.856 77.481 72.574 68.072 63.923 60.086 56.523 50.099 48.913 47.757 46.629 45.529 44.454 43.405 42.379 41.377 40.397 39.439 38.501 37.583 36.683 35.802 34.939 34.093 33.263 32.450 31.651 30.867 99999.999 143.385 131.123 120.497 111.195 102.975 95.654 89.087 83.157 77.772 72.857 68.349 64.196 60.356 56.791 50.367 49.182 48.026 46.899 45.800 44.726 43.678 42.654 41.653 40.675 39.718 38.782 37.866 36.968 36.090 35.229 34.385 33.557 32.746 31.950 31.168 H2S,aq H2S(0) P-T:All Charge = 0. Radius(Å) = 9.99 Alk. = 0.000 Ref: Shock07 2 1.000 1 1.000 6 -7.414 -6.988 -6.723 -6.570 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.414 -6.988 -6.723 -6.570 -6.502 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.414 -6.987 -6.722 -6.570 -6.502 -6.501 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-7.275 -7.518 -7.784 -8.395 -8.534 -8.680 -8.832 -8.993 -9.162 -9.341 -9.530 -9.731 -9.942 -10.165 -10.399 -10.644 -10.897 -11.158 -11.423 -11.690 -11.956 99999.999 99999.999 99999.999 -7.171 -6.770 -6.517 -6.369 -6.299 -6.290 -6.331 -6.411 -6.526 -6.670 -6.841 -7.036 -7.253 -7.491 -7.752 -8.349 -8.483 -8.622 -8.769 -8.922 -9.082 -9.251 -9.428 -9.614 -9.810 -10.015 -10.229 -10.453 -10.684 -10.921 -11.164 -11.409 -11.655 -11.899 99999.999 99999.999 -7.159 -6.759 -6.507 -6.358 -6.289 -6.280 -6.320 -6.399 -6.513 -6.656 -6.825 -7.018 -7.232 -7.466 -7.722 -8.305 -8.435 -8.570 -8.710 -8.857 -9.010 -9.170 -9.338 -9.513 -9.696 -9.887 -10.085 -10.292 -10.505 -10.724 -10.948 -11.175 -11.404 -11.632 -11.858 -12.080 -7.147 -6.748 -6.496 -6.348 -6.279 -6.269 -6.309 -6.388 -6.501 -6.642 -6.810 -7.000 -7.211 -7.442 -7.694 -8.263 -8.390 -8.521 -8.656 -8.798 -8.945 -9.097 -9.257 -9.423 -9.595 -9.775 -9.961 -10.154 -10.353 -10.557 -10.765 -10.977 -11.191 -11.405 -11.617 -11.828 -7.027 -6.641 -6.395 -6.250 -6.181 -6.171 -6.207 -6.280 -6.384 -6.515 -6.668 -6.841 -7.032 -7.238 -7.459 -7.942 -8.045 -8.151 -8.259 -8.369 -8.482 -8.597 -8.715 -8.836 -8.959 -9.084 -9.212 -9.343 -9.476 -9.610 -9.747 -9.886 -10.027 -10.169 -10.312 -10.455 -6.915 -6.539 -6.300 -6.159 -6.091 -6.080 -6.114 -6.183 -6.282 -6.405 -6.548 -6.709 -6.886 -7.075 -7.277 -7.711 -7.803 -7.896 -7.991 -8.087 -8.185 -8.284 -8.385 -8.487 -8.591 -8.697 -8.803 -8.911 -9.021 -9.132 -9.244 -9.357 -9.471 -9.586 -9.703 -9.820 -6.808 -6.443 -6.209 -6.072 -6.006 -5.995 -6.027 -6.094 -6.189 -6.306 -6.442 -6.595 -6.761 -6.939 -7.127 -7.529 -7.613 -7.699 -7.785 -7.873 -7.962 -8.051 -8.142 -8.234 -8.327 -8.421 -8.516 -8.612 -8.709 -8.807 -8.905 -9.005 -9.105 -9.206 -9.308 -9.411 -6.706 -6.351 -6.123 -5.989 -5.925 -5.915 -5.947 -6.012 -6.103 -6.216 -6.347 -6.493 -6.651 -6.820 -6.998 -7.377 -7.456 -7.536 -7.617 -7.698 -7.781 -7.864 -7.949 -8.034 -8.119 -8.206 -8.293 -8.381 -8.470 -8.560 -8.650 -8.741 -8.832 -8.924 -9.017 -9.110 -6.607 -6.262 -6.040 -5.909 -5.847 -5.838 -5.870 -5.934 -6.023 -6.133 -6.260 -6.401 -6.553 -6.715 -6.886 -7.247 -7.321 -7.397 -7.474 -7.551 -7.629 -7.708 -7.787 -7.867 -7.948 -8.029 -8.111 -8.193 -8.276 -8.360 -8.444 -8.529 -8.614 -8.700 -8.786 -8.873 -6.511 -6.175 -5.960 -5.833 -5.773 -5.765 -5.797 -5.860 -5.948 -6.056 -6.180 -6.316 -6.464 -6.621 -6.785 -7.131 -7.203 -7.276 -7.349 -7.423 -7.497 -7.572 -7.648 -7.724 -7.801 -7.878 -7.956 -8.034 -8.113 -8.192 -8.272 -8.352 -8.433 -8.514 -8.596 -8.678 -6.417 -6.091 -5.882 -5.759 -5.701 -5.695 -5.727 -5.790 -5.877 -5.983 -6.104 -6.238 -6.382 -6.534 -6.693 -7.028 -7.098 -7.167 -7.238 -7.309 -7.381 -7.453 -7.526 -7.599 -7.673 -7.747 -7.822 -7.897 -7.972 -8.048 -8.125 -8.201 -8.279 -8.356 -8.434 -8.513 99999.999 -6.008 -5.805 -5.687 -5.632 -5.627 -5.660 -5.723 -5.809 -5.914 -6.033 -6.165 -6.305 -6.454 -6.609 -6.935 -7.002 -7.070 -7.138 -7.207 -7.277 -7.346 -7.417 -7.488 -7.559 -7.631 -7.703 -7.775 -7.848 -7.922 -7.996 -8.070 -8.144 -8.219 -8.294 -8.370 H2S,aq H2S(0) P-T:All Charge = 0. Radius(Å) = 9.99 Alk. = 0.000 Ref: Shock07 3 2.000 1 -2.000 31 1.000 4 144.684 131.329 119.717 109.544 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.684 131.329 119.717 109.544 100.547 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.686 131.331 119.718 109.545 100.548 92.517 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.690 131.335 119.722 109.549 100.552 92.520 85.286 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.696 131.341 119.728 109.554 100.557 92.526 85.292 78.721 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.707 131.350 119.737 109.563 100.566 92.534 85.301 78.730 72.710 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.722 131.365 119.750 109.576 100.578 92.547 85.314 78.743 72.724 67.159 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.744 131.385 119.770 109.595 100.597 92.565 85.332 78.763 72.745 67.182 61.982 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.774 131.414 119.797 109.621 100.622 92.590 85.358 78.789 72.774 67.214 62.020 57.095 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.814 131.452 119.833 109.656 100.656 92.624 85.392 78.824 72.811 67.256 62.070 57.160 52.409 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.867 131.501 119.880 109.701 100.700 92.668 85.436 78.870 72.860 67.310 62.134 57.242 52.528 47.799 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.935 131.565 119.941 109.759 100.757 92.724 85.492 78.929 72.922 67.379 62.214 57.344 52.671 48.044 42.956 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.988 131.614 119.988 109.804 100.800 92.767 85.536 78.974 72.970 67.431 62.275 57.419 52.775 48.210 43.375 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.063 131.685 120.054 109.868 100.863 92.828 85.598 79.037 73.037 67.505 62.359 57.523 52.914 48.421 43.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.138 131.755 120.121 109.932 100.924 92.889 85.659 79.100 73.103 67.577 62.441 57.622 53.043 48.610 44.133 32.269 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.212 131.825 120.187 109.995 100.986 92.950 85.720 79.162 73.168 67.647 62.521 57.717 53.165 48.780 44.411 35.358 32.434 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.286 131.894 120.252 110.057 101.046 93.009 85.779 79.223 73.232 67.716 62.598 57.808 53.279 48.936 44.654 36.267 34.187 31.722 28.665 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.360 131.963 120.317 110.119 101.107 93.068 85.839 79.283 73.295 67.783 62.672 57.895 53.387 49.080 44.868 36.798 34.987 33.020 30.811 28.271 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.434 132.032 120.382 110.181 101.166 93.127 85.897 79.343 73.357 67.849 62.745 57.979 53.489 49.213 45.061 37.180 35.500 33.744 31.871 29.834 27.592 25.136 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.507 132.100 120.446 110.242 101.226 93.185 85.955 79.402 73.418 67.914 62.816 58.060 53.587 49.337 45.234 37.482 35.881 34.239 32.535 30.743 28.836 26.794 24.616 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.580 132.168 120.510 110.303 101.284 93.243 86.013 79.460 73.478 67.978 62.886 58.139 53.679 49.453 45.392 37.735 36.187 34.617 33.013 31.360 29.639 27.837 25.944 23.961 21.904 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.653 132.235 120.573 110.364 101.343 93.300 86.069 79.518 73.537 68.040 62.954 58.215 53.768 49.561 45.536 37.953 36.444 34.925 33.388 31.822 30.217 28.562 26.848 25.072 23.237 21.354 19.443 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.725 132.302 120.637 110.424 101.401 93.357 86.126 79.575 73.596 68.102 63.020 58.288 53.853 49.664 45.667 38.147 36.667 35.185 33.696 32.191 30.663 29.106 27.511 25.874 24.195 22.477 20.730 18.967 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.797 132.369 120.699 110.484 101.458 93.413 86.182 79.631 73.654 68.163 63.085 58.360 53.934 49.760 45.788 38.322 36.865 35.413 33.959 32.499 31.027 29.537 28.025 26.485 24.917 23.321 21.701 20.063 18.420 16.781 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.869 132.436 120.762 110.543 101.516 93.469 86.237 79.687 73.711 68.222 63.149 58.430 54.013 49.851 45.900 38.482 37.045 35.615 34.189 32.763 31.333 29.894 28.442 26.973 25.486 23.980 22.456 20.918 19.373 17.828 16.293 99999.999 99999.999 99999.999 99999.999 99999.999 145.941 132.502 120.824 110.602 101.572 93.524 86.292 79.742 73.767 68.281 63.211 58.498 54.089 49.938 46.004 38.630 37.208 35.798 34.395 32.996 31.598 30.198 28.791 27.376 25.950 24.511 23.062 21.602 20.137 18.671 17.210 15.761 14.331 99999.999 99999.999 99999.999 146.012 132.568 120.886 110.661 101.629 93.579 86.346 79.796 73.823 68.339 63.273 58.564 54.162 50.021 46.101 38.768 37.360 35.965 34.581 33.205 31.833 30.463 29.092 27.718 26.339 24.953 23.561 22.164 20.762 19.361 17.963 16.575 15.201 13.846 99999.999 99999.999 146.083 132.633 120.947 110.719 101.685 93.634 86.400 79.851 73.878 68.396 63.333 58.629 54.233 50.101 46.193 38.897 37.501 36.120 34.752 33.394 32.043 30.698 29.356 28.015 26.673 25.330 23.983 22.635 21.285 19.937 18.593 17.256 15.931 14.622 13.333 12.067 146.154 132.699 121.008 110.777 101.741 93.688 86.454 79.904 73.933 68.453 63.393 58.693 54.302 50.178 46.281 39.019 37.633 36.264 34.909 33.567 32.235 30.910 29.592 28.278 26.966 25.656 24.347 23.039 21.731 20.427 19.127 17.834 16.552 15.283 14.031 12.800 146.850 133.338 121.605 111.342 102.282 94.213 86.969 80.417 74.451 68.984 63.945 59.276 54.927 50.858 47.032 39.987 38.661 37.359 36.079 34.820 33.582 32.362 31.159 29.973 28.803 27.647 26.506 25.378 24.262 23.159 22.068 20.988 19.921 18.865 17.821 16.790 147.527 133.955 122.179 111.882 102.797 94.710 87.453 80.895 74.929 69.467 64.440 59.789 55.464 51.426 47.640 40.705 39.407 38.135 36.888 35.665 34.464 33.285 32.127 30.988 29.868 28.766 27.681 26.612 25.559 24.522 23.499 22.490 21.496 20.514 19.546 18.591 148.187 134.554 122.733 112.403 103.291 95.185 87.914 81.347 75.377 69.916 64.895 60.254 55.944 51.926 48.165 41.297 40.015 38.760 37.532 36.328 35.149 33.992 32.857 31.744 30.650 29.575 28.519 27.481 26.460 25.455 24.466 23.492 22.533 21.589 20.658 19.741 148.836 135.138 123.272 112.907 103.770 95.642 88.357 81.779 75.802 70.339 65.319 60.684 56.384 52.378 48.633 41.809 40.538 39.295 38.078 36.887 35.721 34.579 33.459 32.360 31.283 30.225 29.186 28.166 27.164 26.179 25.210 24.257 23.320 22.397 21.489 20.594 149.475 135.710 123.798 113.399 104.234 96.085 88.783 82.194 76.209 70.741 65.720 61.087 56.792 52.795 49.061 42.267 41.003 39.767 38.559 37.377 36.220 35.087 33.977 32.889 31.822 30.776 29.749 28.741 27.751 26.779 25.823 24.884 23.961 23.052 22.158 21.279 150.107 136.273 124.313 113.879 104.686 96.516 89.198 82.595 76.600 71.127 66.102 61.469 57.177 53.184 49.457 42.684 41.426 40.195 38.993 37.817 36.666 35.540 34.437 33.356 32.297 31.258 30.240 29.240 28.259 27.296 26.350 25.420 24.506 23.608 22.724 21.854 150.733 136.828 124.819 114.349 105.129 96.937 89.601 82.984 76.979 71.498 66.469 61.834 57.542 53.552 49.829 43.071 41.816 40.589 39.391 38.219 37.073 35.952 34.854 33.778 32.725 31.692 30.679 29.686 28.711 27.754 26.815 25.892 24.985 24.093 23.217 22.354 99999.999 137.377 125.318 114.811 105.563 97.349 89.995 83.364 77.348 71.858 66.824 62.184 57.891 53.902 50.182 43.433 42.180 40.956 39.761 38.593 37.450 36.332 35.237 34.166 33.116 32.087 31.079 30.090 29.120 28.168 27.233 26.315 25.413 24.527 23.655 22.798 S2-2 S2(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 0.250 1 0.250 4 1.750 6 -1.000 2 1.303 1.312 1.305 1.280 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.303 1.312 1.305 1.280 1.237 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.303 1.312 1.305 1.280 1.237 1.178 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.304 1.312 1.305 1.280 1.237 1.178 1.106 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.304 1.312 1.305 1.279 1.236 1.178 1.106 1.022 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.304 1.312 1.305 1.279 1.236 1.178 1.106 1.023 0.927 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.304 1.312 1.305 1.279 1.236 1.178 1.106 1.023 0.928 0.822 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.305 1.311 1.304 1.278 1.236 1.178 1.106 1.023 0.929 0.823 0.704 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.306 1.311 1.303 1.278 1.235 1.177 1.106 1.023 0.929 0.824 0.707 0.574 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.306 1.311 1.303 1.277 1.234 1.177 1.106 1.024 0.930 0.826 0.710 0.579 0.428 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.307 1.310 1.302 1.276 1.233 1.176 1.106 1.024 0.932 0.829 0.714 0.585 0.438 0.264 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.309 1.309 1.300 1.274 1.232 1.176 1.106 1.025 0.933 0.832 0.719 0.593 0.451 0.284 0.069 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.309 1.308 1.299 1.273 1.231 1.175 1.106 1.025 0.935 0.834 0.722 0.599 0.460 0.299 0.093 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.311 1.307 1.297 1.271 1.230 1.174 1.105 1.026 0.936 0.837 0.727 0.606 0.472 0.318 0.125 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.311 1.306 1.295 1.269 1.228 1.173 1.105 1.026 0.938 0.839 0.732 0.614 0.483 0.336 0.155 -0.010 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.312 1.304 1.293 1.267 1.226 1.172 1.104 1.027 0.939 0.842 0.736 0.620 0.494 0.352 0.183 -0.024 -0.076 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.313 1.303 1.291 1.265 1.225 1.170 1.104 1.027 0.940 0.844 0.740 0.626 0.503 0.367 0.208 -0.014 -0.070 -0.129 -0.208 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.313 1.301 1.289 1.263 1.223 1.169 1.103 1.027 0.941 0.846 0.743 0.632 0.512 0.381 0.230 0.000 -0.057 -0.115 -0.177 -0.252 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.313 1.299 1.287 1.261 1.221 1.168 1.102 1.027 0.942 0.848 0.747 0.637 0.520 0.393 0.250 0.015 -0.042 -0.099 -0.159 -0.222 -0.294 -0.382 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.313 1.297 1.284 1.259 1.219 1.166 1.101 1.027 0.942 0.850 0.750 0.642 0.527 0.404 0.268 0.029 -0.026 -0.083 -0.141 -0.201 -0.265 -0.336 -0.415 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.313 1.295 1.282 1.256 1.217 1.165 1.101 1.026 0.943 0.852 0.753 0.647 0.534 0.414 0.284 0.043 -0.012 -0.067 -0.124 -0.182 -0.243 -0.307 -0.375 -0.450 -0.533 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.313 1.293 1.279 1.254 1.215 1.163 1.100 1.026 0.944 0.853 0.755 0.651 0.540 0.423 0.297 0.056 0.002 -0.052 -0.108 -0.165 -0.223 -0.283 -0.346 -0.413 -0.484 -0.561 -0.642 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.312 1.291 1.277 1.252 1.213 1.161 1.099 1.026 0.944 0.855 0.758 0.655 0.546 0.431 0.310 0.068 0.015 -0.038 -0.093 -0.148 -0.205 -0.263 -0.323 -0.385 -0.450 -0.518 -0.590 -0.664 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.312 1.289 1.274 1.249 1.211 1.160 1.097 1.025 0.944 0.856 0.760 0.659 0.551 0.439 0.320 0.079 0.028 -0.025 -0.078 -0.132 -0.188 -0.244 -0.302 -0.361 -0.423 -0.486 -0.551 -0.619 -0.688 -0.759 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.311 1.287 1.272 1.247 1.208 1.158 1.096 1.025 0.945 0.857 0.762 0.662 0.556 0.445 0.330 0.090 0.039 -0.012 -0.064 -0.117 -0.172 -0.227 -0.283 -0.340 -0.399 -0.459 -0.520 -0.583 -0.648 -0.713 -0.778 99999.999 99999.999 99999.999 99999.999 99999.999 1.310 1.284 1.269 1.244 1.206 1.156 1.095 1.024 0.945 0.858 0.764 0.665 0.561 0.451 0.338 0.100 0.051 0.000 -0.051 -0.104 -0.157 -0.210 -0.265 -0.321 -0.378 -0.436 -0.494 -0.554 -0.615 -0.676 -0.738 -0.800 -0.861 99999.999 99999.999 99999.999 1.309 1.282 1.266 1.241 1.204 1.154 1.094 1.023 0.945 0.859 0.766 0.668 0.565 0.457 0.345 0.110 0.061 0.011 -0.039 -0.090 -0.142 -0.195 -0.249 -0.303 -0.358 -0.414 -0.471 -0.529 -0.587 -0.646 -0.704 -0.763 -0.822 -0.879 99999.999 99999.999 1.308 1.279 1.263 1.239 1.202 1.152 1.092 1.023 0.945 0.860 0.768 0.671 0.568 0.462 0.352 0.120 0.071 0.022 -0.027 -0.078 -0.129 -0.181 -0.233 -0.286 -0.340 -0.395 -0.450 -0.506 -0.562 -0.619 -0.676 -0.732 -0.789 -0.844 -0.899 -0.952 1.307 1.277 1.260 1.236 1.199 1.150 1.091 1.022 0.945 0.860 0.769 0.673 0.572 0.467 0.358 0.128 0.081 0.033 -0.016 -0.066 -0.116 -0.167 -0.218 -0.271 -0.323 -0.377 -0.431 -0.485 -0.540 -0.595 -0.650 -0.705 -0.760 -0.814 -0.867 -0.919 1.288 1.246 1.228 1.206 1.173 1.128 1.074 1.011 0.940 0.863 0.780 0.692 0.599 0.504 0.405 0.199 0.157 0.114 0.071 0.028 -0.016 -0.060 -0.105 -0.150 -0.195 -0.241 -0.287 -0.333 -0.380 -0.426 -0.473 -0.520 -0.567 -0.614 -0.661 -0.707 1.259 1.210 1.192 1.172 1.142 1.102 1.053 0.995 0.930 0.858 0.782 0.700 0.615 0.527 0.436 0.248 0.209 0.170 0.131 0.092 0.052 0.012 -0.028 -0.069 -0.110 -0.151 -0.192 -0.233 -0.275 -0.317 -0.359 -0.401 -0.443 -0.486 -0.528 -0.571 1.222 1.168 1.151 1.134 1.108 1.073 1.028 0.975 0.915 0.849 0.778 0.703 0.624 0.542 0.457 0.282 0.246 0.210 0.174 0.138 0.101 0.064 0.027 -0.010 -0.048 -0.085 -0.123 -0.161 -0.199 -0.238 -0.276 -0.315 -0.353 -0.392 -0.431 -0.470 1.179 1.121 1.106 1.093 1.072 1.041 1.001 0.952 0.897 0.836 0.770 0.699 0.626 0.549 0.470 0.307 0.273 0.240 0.206 0.172 0.137 0.103 0.068 0.034 -0.001 -0.036 -0.071 -0.107 -0.142 -0.178 -0.213 -0.249 -0.285 -0.321 -0.358 -0.394 1.130 1.071 1.059 1.049 1.033 1.006 0.971 0.927 0.876 0.819 0.758 0.692 0.623 0.551 0.477 0.324 0.292 0.260 0.229 0.197 0.165 0.132 0.100 0.067 0.034 0.001 -0.032 -0.065 -0.098 -0.131 -0.165 -0.199 -0.232 -0.266 -0.300 -0.334 1.076 1.017 1.008 1.004 0.991 0.970 0.938 0.899 0.852 0.800 0.742 0.681 0.617 0.549 0.479 0.335 0.305 0.275 0.245 0.215 0.184 0.154 0.123 0.092 0.061 0.030 -0.001 -0.032 -0.064 -0.095 -0.127 -0.159 -0.191 -0.223 -0.255 -0.287 1.018 0.960 0.956 0.956 0.948 0.931 0.904 0.869 0.826 0.778 0.725 0.667 0.607 0.543 0.478 0.341 0.313 0.284 0.256 0.227 0.198 0.169 0.140 0.111 0.082 0.052 0.023 -0.007 -0.037 -0.067 -0.097 -0.127 -0.158 -0.188 -0.219 -0.249 99999.999 0.901 0.901 0.906 0.903 0.890 0.868 0.837 0.799 0.754 0.705 0.651 0.594 0.535 0.473 0.343 0.316 0.289 0.262 0.235 0.208 0.180 0.152 0.125 0.097 0.069 0.040 0.012 -0.017 -0.045 -0.074 -0.103 -0.132 -0.161 -0.190 -0.219 S2-2 S2(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 2.000 1 2.000 4 -1.000 2 -3.500 31 267.476 243.366 222.574 204.478 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 267.476 243.367 222.574 204.479 188.572 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 267.479 243.369 222.577 204.481 188.574 174.459 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 267.485 243.374 222.581 204.486 188.579 174.464 161.828 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 267.494 243.383 222.589 204.493 188.586 174.471 161.836 150.432 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 267.508 243.397 222.602 204.506 188.598 174.483 161.848 150.444 140.069 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 267.530 243.417 222.622 204.524 188.616 174.501 161.865 150.462 140.088 130.574 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 267.562 243.447 222.649 204.551 188.642 174.526 161.891 150.488 140.116 130.604 121.799 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 267.606 243.487 222.688 204.587 188.677 174.561 161.925 150.524 140.154 130.645 121.847 113.610 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 267.664 243.541 222.739 204.636 188.724 174.607 161.972 150.571 140.204 130.700 121.911 113.691 105.871 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 267.740 243.612 222.805 204.699 188.786 174.667 162.032 150.633 140.268 130.771 121.993 113.793 106.015 98.409 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 267.837 243.703 222.891 204.781 188.865 174.745 162.109 150.712 140.351 130.860 122.095 113.919 106.189 98.701 90.838 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 267.913 243.773 222.957 204.844 188.925 174.804 162.169 150.772 140.414 130.929 122.172 114.013 106.314 98.898 91.337 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 268.021 243.873 223.051 204.934 189.012 174.889 162.254 150.858 140.504 131.025 122.280 114.142 106.484 99.151 91.840 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 268.129 243.973 223.145 205.023 189.098 174.973 162.337 150.943 140.592 131.119 122.385 114.266 106.642 99.376 92.231 74.671 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 268.236 244.072 223.238 205.111 189.183 175.056 162.420 151.027 140.678 131.211 122.487 114.385 106.791 99.580 92.559 78.410 74.302 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 268.342 244.170 223.330 205.199 189.268 175.139 162.502 151.109 140.763 131.301 122.586 114.500 106.932 99.768 92.845 79.516 76.426 72.893 68.681 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 268.448 244.268 223.422 205.286 189.351 175.221 162.583 151.191 140.847 131.390 122.683 114.610 107.065 99.942 93.098 80.162 77.398 74.463 71.255 67.676 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 268.554 244.365 223.513 205.372 189.434 175.302 162.663 151.272 140.930 131.477 122.778 114.717 107.192 100.103 93.326 80.626 78.021 75.340 72.535 69.552 66.343 62.904 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 268.659 244.462 223.603 205.458 189.517 175.382 162.742 151.351 141.012 131.563 122.870 114.820 107.313 100.254 93.533 80.993 78.484 75.941 73.339 70.649 67.837 64.882 61.784 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 268.763 244.558 223.693 205.543 189.599 175.462 162.821 151.430 141.092 131.647 122.960 114.920 107.429 100.396 93.722 81.301 78.855 76.400 73.919 71.394 68.805 66.134 63.370 60.517 57.594 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 268.867 244.653 223.782 205.628 189.680 175.541 162.899 151.508 141.172 131.729 123.048 115.018 107.541 100.530 93.895 81.567 79.168 76.773 74.373 71.954 69.503 67.007 64.455 61.845 59.179 56.472 53.748 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 268.971 244.749 223.871 205.712 189.761 175.619 162.976 151.586 141.251 131.811 123.135 115.112 107.648 100.656 94.054 81.804 79.439 77.090 74.747 72.401 70.043 67.663 65.253 62.807 60.324 57.810 55.275 52.735 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 269.074 244.843 223.959 205.796 189.841 175.697 163.052 151.662 141.328 131.891 123.220 115.204 107.751 100.776 94.202 82.018 79.681 77.366 75.066 72.774 70.482 68.184 65.872 63.542 61.191 58.819 56.432 54.037 51.648 49.277 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 269.177 244.937 224.047 205.879 189.920 175.774 163.128 151.738 141.405 131.970 123.303 115.294 107.850 100.890 94.339 82.213 79.900 77.613 75.346 73.095 70.853 68.615 66.375 64.129 61.874 59.609 57.335 55.057 52.783 50.520 48.278 99999.999 99999.999 99999.999 99999.999 99999.999 269.279 245.031 224.134 205.961 189.999 175.850 163.203 151.813 141.481 132.049 123.385 115.382 107.947 100.999 94.467 82.395 80.100 77.836 75.596 73.378 71.175 68.983 66.798 64.615 62.433 60.248 58.062 55.876 53.695 51.523 49.369 47.239 45.141 99999.999 99999.999 99999.999 269.381 245.124 224.221 206.043 190.078 175.926 163.278 151.887 141.556 132.126 123.466 115.468 108.040 101.104 94.588 82.564 80.285 78.040 75.823 73.631 71.459 69.304 67.161 65.028 62.902 60.780 58.662 56.550 54.444 52.348 50.268 48.208 46.175 44.175 99999.999 99999.999 269.482 245.216 224.307 206.125 190.155 176.002 163.352 151.960 141.630 132.202 123.545 115.552 108.132 101.205 94.703 82.723 80.458 78.229 76.031 73.861 71.715 69.589 67.481 65.388 63.306 61.234 59.170 57.116 55.071 53.038 51.021 49.022 47.047 45.099 43.184 41.306 269.583 245.309 224.393 206.206 190.233 176.077 163.425 152.033 141.704 132.277 123.623 115.635 108.221 101.303 94.813 82.873 80.621 78.406 76.224 74.072 71.948 69.847 67.767 65.705 63.659 61.628 59.608 57.601 55.607 53.626 51.661 49.715 47.789 45.889 44.018 42.179 270.573 246.209 225.229 206.992 190.983 176.800 164.131 152.731 142.402 132.986 124.353 116.397 109.028 102.171 95.762 84.075 81.892 79.756 77.662 75.609 73.595 71.618 69.676 67.766 65.888 64.040 62.220 60.428 58.661 56.920 55.203 53.511 51.841 50.195 48.571 46.971 271.531 247.074 226.029 207.743 191.696 177.484 164.795 153.382 143.048 133.635 125.011 117.072 109.728 102.905 96.540 84.977 82.827 80.725 78.669 76.658 74.688 72.758 70.867 69.013 67.194 65.408 63.655 61.932 60.240 58.576 56.941 55.331 53.748 52.190 50.657 49.147 272.464 247.912 226.800 208.464 192.378 178.137 165.426 153.998 143.655 134.238 125.618 117.687 110.358 103.555 97.217 85.728 83.596 81.514 79.479 77.490 75.544 73.641 71.777 69.951 68.162 66.408 64.688 63.001 61.345 59.720 58.123 56.555 55.014 53.499 52.009 50.545 273.377 248.726 227.547 209.161 193.037 178.765 166.031 154.586 144.231 134.807 126.186 118.259 110.937 104.147 97.825 86.383 84.263 82.193 80.172 78.197 76.266 74.378 72.531 70.723 68.952 67.218 65.518 63.852 62.218 60.615 59.041 57.497 55.980 54.490 53.027 51.588 274.274 249.522 228.275 209.838 193.675 179.373 166.614 155.150 144.782 135.349 126.723 118.796 111.477 104.694 98.383 86.972 84.860 82.798 80.786 78.820 76.900 75.022 73.186 71.389 69.631 67.909 66.222 64.570 62.950 61.361 59.803 58.274 56.773 55.300 53.853 52.431 275.158 250.302 228.986 210.498 194.295 179.962 167.179 155.695 145.312 135.869 127.236 119.305 111.988 105.208 98.903 87.512 85.405 83.349 81.343 79.384 77.470 75.600 73.771 71.983 70.232 68.519 66.842 65.198 63.588 62.010 60.462 58.943 57.453 55.991 54.555 53.145 276.031 251.068 229.682 211.144 194.901 180.536 167.727 156.224 145.825 136.370 127.729 119.793 112.473 105.694 99.392 88.014 85.911 83.859 81.857 79.902 77.993 76.128 74.304 72.521 70.777 69.070 67.399 65.762 64.159 62.587 61.047 59.536 58.053 56.599 55.171 53.769 99999.999 251.824 230.367 211.776 195.493 181.097 168.263 156.738 146.323 136.855 128.204 120.262 112.938 106.157 99.856 88.486 86.385 84.335 82.336 80.384 78.479 76.617 74.797 73.018 71.278 69.575 67.909 66.277 64.678 63.112 61.576 60.070 58.594 57.144 55.722 54.326 S3-2 S3(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 1.500 1 0.500 4 2.500 6 -2.000 2 -11.106 -10.233 -9.594 -9.132 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.106 -10.233 -9.594 -9.132 -8.810 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.106 -10.233 -9.594 -9.132 -8.809 -8.600 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-8.314 -8.132 -8.001 -7.914 -7.862 -7.841 -7.845 -7.872 -7.918 -8.058 -8.093 -8.130 -8.169 -8.210 -8.252 -8.296 -8.342 -8.389 -8.438 -8.489 -8.541 -8.594 -8.649 -8.705 -8.762 -8.821 -8.881 -8.943 -9.005 -9.069 S3-2 S3(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 4.000 1 3.000 4 -2.000 2 -5.000 31 369.140 335.559 306.504 281.152 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 369.140 335.559 306.504 281.152 258.812 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 369.145 335.563 306.508 281.155 258.816 238.944 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 369.153 335.571 306.515 281.162 258.823 238.951 221.117 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 369.167 335.584 306.527 281.174 258.834 238.963 221.128 204.987 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 369.189 335.604 306.547 281.193 258.852 238.981 221.147 205.006 190.276 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 369.223 335.635 306.576 281.221 258.880 239.008 221.174 205.035 190.306 176.747 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 369.271 335.680 306.617 281.261 258.919 239.047 221.214 205.076 190.350 176.796 164.189 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 369.337 335.741 306.675 281.316 258.972 239.100 221.268 205.132 190.411 176.864 164.270 152.405 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 369.425 335.822 306.752 281.389 259.044 239.171 221.340 205.207 190.491 176.953 164.376 152.542 141.189 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 369.540 335.928 306.852 281.485 259.138 239.264 221.434 205.304 190.594 177.068 164.511 152.715 141.438 130.271 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 369.688 336.065 306.981 281.608 259.257 239.382 221.553 205.428 190.726 177.213 164.681 152.928 141.736 130.776 119.019 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 369.802 336.170 307.080 281.703 259.350 239.473 221.646 205.523 190.827 177.324 164.809 153.087 141.953 131.119 119.864 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 369.966 336.321 307.222 281.839 259.481 239.603 221.776 205.658 190.969 177.480 164.987 153.306 142.244 131.558 120.733 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 370.128 336.471 307.362 281.973 259.611 239.732 221.906 205.790 191.109 177.632 165.160 153.514 142.516 131.950 121.416 95.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 370.290 336.619 307.502 282.106 259.741 239.859 222.034 205.921 191.247 177.781 165.328 153.714 142.770 132.305 121.993 101.200 94.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 370.450 336.767 307.640 282.238 259.868 239.985 222.160 206.051 191.382 177.926 165.491 153.906 143.010 132.631 122.496 103.001 98.355 92.969 86.424 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 370.610 336.913 307.777 282.369 259.995 240.110 222.285 206.178 191.515 178.069 165.649 154.090 143.238 132.932 122.942 104.063 99.944 95.534 90.661 85.145 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 370.768 337.059 307.914 282.499 260.121 240.233 222.408 206.304 191.645 178.208 165.803 154.267 143.453 133.211 123.343 104.834 100.972 96.974 92.761 88.239 83.321 77.989 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 370.926 337.203 308.049 282.628 260.245 240.356 222.530 206.428 191.774 178.345 165.953 154.439 143.658 133.472 123.706 105.447 101.741 97.969 94.088 90.047 85.792 81.281 76.508 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 371.083 337.347 308.184 282.756 260.369 240.477 222.651 206.550 191.901 178.480 166.100 154.604 143.853 133.715 124.035 105.962 102.361 98.732 95.049 91.281 87.395 83.358 79.152 74.777 70.264 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 371.239 337.490 308.317 282.883 260.492 240.597 222.771 206.672 192.027 178.612 166.243 154.765 144.040 133.943 124.336 106.410 102.886 99.356 95.805 92.211 88.552 84.807 80.957 76.993 72.922 68.765 64.560 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 371.394 337.631 308.450 283.009 260.613 240.716 222.889 206.792 192.150 178.742 166.384 154.920 144.219 134.158 124.612 106.809 103.343 99.888 96.431 92.958 89.452 85.899 82.284 78.597 74.836 71.009 67.132 63.232 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 371.548 337.773 308.582 283.134 260.734 240.834 223.006 206.910 192.272 178.870 166.521 155.072 144.391 134.361 124.865 107.169 103.750 100.353 96.967 93.583 90.187 86.769 83.317 79.824 76.284 72.698 69.074 65.425 61.773 58.139 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 371.702 337.913 308.713 283.259 260.854 240.951 223.122 207.027 192.392 178.996 166.655 155.219 144.556 134.553 125.100 107.500 104.119 100.768 97.439 94.122 90.809 87.491 84.159 80.806 77.427 74.020 70.588 67.138 63.683 60.237 56.817 99999.999 99999.999 99999.999 99999.999 99999.999 371.855 338.052 308.843 283.382 260.973 241.067 223.238 207.143 192.511 179.120 166.787 155.362 144.716 134.736 125.318 107.807 104.458 101.145 97.861 94.599 91.351 88.109 84.868 81.620 78.362 75.090 71.806 68.512 65.215 61.926 58.655 55.418 52.226 99999.999 99999.999 99999.999 372.007 338.191 308.972 283.505 261.091 241.183 223.352 207.258 192.629 179.242 166.917 155.502 144.871 134.910 125.522 108.093 104.771 101.490 98.244 95.026 91.830 88.650 85.480 82.315 79.150 75.983 72.813 69.642 66.473 63.312 60.168 57.051 53.971 50.938 99999.999 99999.999 372.158 338.329 309.101 283.627 261.208 241.297 223.465 207.372 192.745 179.363 167.044 155.639 145.021 135.078 125.714 108.362 105.064 101.811 98.596 95.415 92.262 89.132 86.019 82.920 79.829 76.745 73.667 70.593 67.527 64.472 61.435 58.420 55.438 52.495 49.601 46.761 372.309 338.466 309.229 283.748 261.324 241.410 223.577 207.484 192.860 179.482 167.170 155.774 145.167 135.241 125.899 108.616 105.339 102.109 98.922 95.773 92.656 89.567 86.502 83.456 80.426 77.409 74.404 71.410 68.428 65.461 62.512 59.585 56.688 53.825 51.005 48.233 373.779 339.800 310.469 284.921 262.448 242.502 224.651 208.557 193.945 180.597 168.332 157.003 146.484 136.673 127.479 110.642 107.487 104.394 101.359 98.379 95.451 92.573 89.741 86.953 84.207 81.501 78.832 76.199 73.600 71.035 68.503 66.002 63.533 61.094 58.688 56.313 375.192 341.076 311.652 286.034 263.511 243.529 225.656 209.550 194.941 181.607 169.369 158.079 147.613 137.870 128.760 112.153 109.055 106.025 103.057 100.150 97.301 94.507 91.765 89.073 86.430 83.832 81.278 78.767 76.296 73.864 71.470 69.112 66.790 64.502 62.248 60.026 376.559 342.305 312.787 287.100 264.525 244.505 226.605 210.484 195.870 182.540 170.317 159.051 148.619 138.918 129.862 113.397 110.334 107.340 104.412 101.546 98.741 95.993 93.300 90.660 88.071 85.531 83.037 80.587 78.181 75.817 73.492 71.206 68.958 66.745 64.568 62.424 377.891 343.496 313.883 288.127 265.499 245.439 227.511 211.371 196.745 183.414 171.197 159.945 149.535 139.864 130.844 114.473 111.433 108.463 105.560 102.722 99.944 97.226 94.565 91.957 89.402 86.897 84.440 82.029 79.662 77.338 75.056 72.813 70.609 68.442 66.310 64.213 379.194 344.654 314.946 289.120 266.439 246.339 228.380 212.218 197.579 184.241 172.025 160.780 150.383 140.732 131.737 115.433 112.408 109.455 106.570 103.750 100.992 98.294 95.654 93.069 90.537 88.055 85.623 83.237 80.897 78.601 76.346 74.132 71.957 69.820 67.719 65.653 380.473 345.786 315.981 290.085 267.351 247.209 229.219 213.033 198.377 185.030 172.810 161.567 151.178 141.539 132.562 116.305 113.292 110.351 107.478 104.672 101.928 99.245 96.620 94.050 91.534 89.070 86.655 84.288 81.966 79.689 77.454 75.260 73.106 70.989 68.910 66.866 381.732 346.896 316.992 291.025 268.238 248.054 230.031 213.821 199.147 185.787 173.560 162.315 151.930 142.298 133.332 117.109 114.105 111.173 108.309 105.513 102.779 100.107 97.493 94.935 92.431 89.979 87.577 85.223 82.915 80.652 78.431 76.252 74.112 72.011 69.947 67.918 99999.999 347.988 317.983 291.944 269.103 248.878 230.821 214.585 199.891 186.517 174.280 163.031 152.645 143.017 134.059 117.860 114.861 111.936 109.079 106.290 103.564 100.899 98.293 95.744 93.249 90.807 88.414 86.070 83.772 81.519 79.309 77.140 75.012 72.922 70.869 68.852 S3- S3(-1) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Pkr15 4 2.625 1 0.625 4 2.375 6 -2.500 2 -18.934 -17.699 -16.951 -16.534 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -18.934 -17.699 -16.951 -16.534 -16.361 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -18.933 -17.698 -16.951 -16.533 -16.360 -16.379 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -18.653 -17.496 -16.773 -16.357 -16.171 -16.165 -16.304 -16.564 -16.930 -17.390 -17.937 -18.572 -19.297 -20.130 -21.132 -23.010 -23.544 -24.141 -24.829 -25.645 -26.639 -27.854 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -18.630 -17.479 -16.758 -16.342 -16.155 -16.147 -16.283 -16.539 -16.899 -17.352 -17.890 -18.510 -19.214 -20.014 -20.955 -22.789 -23.277 -23.809 -24.398 -25.061 -25.824 -26.712 -27.746 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -18.607 -17.463 -16.744 -16.328 -16.140 -16.130 -16.262 -16.515 -16.870 -17.315 -17.844 -18.451 -19.136 -19.908 -20.797 -22.597 -23.052 -23.540 -24.069 -24.648 -25.290 -26.009 -26.820 -27.733 -28.745 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -18.584 -17.447 -16.730 -16.314 -16.125 -16.113 -16.243 -16.491 -16.841 -17.280 -17.800 -18.395 -19.064 -19.810 -20.657 -22.426 -22.856 -23.313 -23.800 -24.325 -24.894 -25.514 -26.197 -26.948 -27.771 -28.664 -29.615 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -18.563 -17.432 -16.717 -16.301 -16.111 -16.096 -16.224 -16.468 -16.813 -17.246 -17.758 -18.342 -18.996 -19.721 -20.531 -22.271 -22.682 -23.114 -23.571 -24.056 -24.575 -25.133 -25.734 -26.383 -27.085 -27.839 -28.642 -29.485 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -18.542 -17.418 -16.704 -16.288 -16.097 -16.081 -16.205 -16.446 -16.786 -17.213 -17.717 -18.292 -18.933 -19.639 -20.419 -22.130 -22.523 -22.936 -23.369 -23.825 -24.308 -24.820 -25.365 -25.947 -26.567 -27.227 -27.926 -28.658 -29.418 -30.196 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -18.522 -17.403 -16.692 -16.276 -16.084 -16.065 -16.187 -16.424 -16.760 -17.181 -17.679 -18.244 -18.873 -19.563 -20.319 -21.999 -22.378 -22.774 -23.188 -23.621 -24.075 -24.554 -25.059 -25.592 -26.154 -26.748 -27.372 -28.024 -28.699 -29.393 -30.096 99999.999 99999.999 99999.999 99999.999 99999.999 -18.502 -17.390 -16.680 -16.264 -16.071 -16.051 -16.170 -16.403 -16.735 -17.151 -17.641 -18.198 -18.817 -19.493 -20.230 -21.877 -22.244 -22.626 -23.023 -23.437 -23.869 -24.321 -24.795 -25.291 -25.811 -26.356 -26.925 -27.517 -28.129 -28.757 -29.396 -30.040 -30.683 99999.999 99999.999 99999.999 -18.483 -17.377 -16.668 -16.253 -16.058 -16.036 -16.153 -16.383 -16.710 -17.121 -17.605 -18.154 -18.763 -19.428 -20.148 -21.763 -22.120 -22.489 -22.872 -23.270 -23.683 -24.114 -24.563 -25.030 -25.518 -26.025 -26.552 -27.098 -27.661 -28.238 -28.826 -29.420 -30.015 -30.606 99999.999 99999.999 -18.465 -17.364 -16.657 -16.242 -16.046 -16.022 -16.136 -16.363 -16.686 -17.092 -17.570 -18.112 -18.713 -19.367 -20.074 -21.656 -22.002 -22.361 -22.732 -23.116 -23.514 -23.926 -24.355 -24.799 -25.260 -25.738 -26.232 -26.742 -27.267 -27.804 -28.351 -28.904 -29.459 -30.013 -30.562 -31.100 -18.447 -17.352 -16.647 -16.231 -16.034 -16.009 -16.120 -16.344 -16.663 -17.064 -17.536 -18.072 -18.664 -19.309 -20.004 -21.554 -21.892 -22.241 -22.601 -22.973 -23.357 -23.755 -24.166 -24.591 -25.030 -25.484 -25.952 -26.433 -26.927 -27.432 -27.945 -28.465 -28.988 -29.511 -30.030 -30.542 -18.300 -17.253 -16.561 -16.144 -15.937 -15.895 -15.985 -16.180 -16.465 -16.824 -17.247 -17.726 -18.253 -18.823 -19.432 -20.757 -21.038 -21.326 -21.619 -21.919 -22.224 -22.535 -22.852 -23.175 -23.503 -23.838 -24.178 -24.524 -24.875 -25.231 -25.591 -25.955 -26.322 -26.692 -27.064 -27.437 -18.199 -17.190 -16.508 -16.087 -15.871 -15.815 -15.885 -16.058 -16.314 -16.640 -17.026 -17.463 -17.942 -18.460 -19.010 -20.196 -20.445 -20.699 -20.957 -21.218 -21.484 -21.753 -22.027 -22.304 -22.585 -22.869 -23.157 -23.448 -23.743 -24.041 -24.343 -24.647 -24.953 -25.263 -25.574 -25.887 -18.136 -17.158 -16.481 -16.056 -15.830 -15.760 -15.813 -15.966 -16.199 -16.499 -16.854 -17.257 -17.699 -18.176 -18.682 -19.768 -19.995 -20.226 -20.460 -20.697 -20.937 -21.179 -21.425 -21.674 -21.925 -22.179 -22.436 -22.695 -22.957 -23.221 -23.487 -23.756 -24.027 -24.300 -24.575 -24.852 -18.103 -17.150 -16.476 -16.046 -15.810 -15.726 -15.765 -15.899 -16.112 -16.389 -16.719 -17.093 -17.505 -17.949 -18.420 -19.428 -19.638 -19.852 -20.068 -20.287 -20.508 -20.731 -20.957 -21.186 -21.416 -21.649 -21.883 -22.120 -22.359 -22.600 -22.843 -23.088 -23.334 -23.583 -23.833 -24.085 -18.095 -17.163 -16.490 -16.053 -15.807 -15.711 -15.735 -15.853 -16.048 -16.305 -16.613 -16.964 -17.350 -17.766 -18.207 -19.151 -19.349 -19.548 -19.750 -19.955 -20.161 -20.370 -20.581 -20.793 -21.008 -21.224 -21.443 -21.663 -21.885 -22.108 -22.334 -22.560 -22.789 -23.019 -23.251 -23.484 -18.107 -17.193 -16.521 -16.076 -15.819 -15.711 -15.721 -15.824 -16.003 -16.242 -16.531 -16.861 -17.224 -17.616 -18.032 -18.923 -19.109 -19.298 -19.488 -19.681 -19.876 -20.072 -20.270 -20.471 -20.673 -20.876 -21.081 -21.288 -21.497 -21.707 -21.918 -22.131 -22.346 -22.562 -22.779 -22.998 -18.136 -17.238 -16.565 -16.113 -15.845 -15.724 -15.721 -15.810 -15.973 -16.197 -16.468 -16.779 -17.123 -17.494 -17.889 -18.734 -18.910 -19.089 -19.270 -19.452 -19.637 -19.823 -20.012 -20.201 -20.393 -20.586 -20.780 -20.977 -21.174 -21.373 -21.574 -21.775 -21.979 -22.183 -22.389 -22.596 99999.999 -17.296 -16.621 -16.161 -15.882 -15.749 -15.733 -15.808 -15.958 -16.166 -16.422 -16.716 -17.043 -17.396 -17.771 -18.575 -18.744 -18.914 -19.086 -19.260 -19.436 -19.614 -19.793 -19.974 -20.157 -20.341 -20.527 -20.714 -20.902 -21.092 -21.284 -21.476 -21.670 -21.865 -22.062 -22.260 S3- S3(-1) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Pkr15 4 5.000 1 3.000 4 -4.750 31 -2.500 2 342.301 310.804 283.342 259.236 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 342.301 310.804 283.342 259.236 237.880 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 342.306 310.808 283.346 259.240 237.884 218.789 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 342.314 310.816 283.354 259.247 237.891 218.796 201.569 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 342.329 310.830 283.367 259.260 237.903 218.808 201.582 185.907 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 342.353 310.852 283.387 259.280 237.923 218.827 201.602 185.928 171.544 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 342.389 310.885 283.418 259.309 237.952 218.857 201.631 185.960 171.578 158.256 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 342.440 310.931 283.462 259.352 237.993 218.898 201.674 186.005 171.627 158.312 145.840 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 342.511 310.996 283.523 259.410 238.051 218.955 201.733 186.066 171.695 158.389 145.932 134.095 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 342.605 311.082 283.604 259.488 238.127 219.032 201.811 186.148 171.784 158.490 146.054 134.256 122.813 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 342.728 311.194 283.709 259.589 238.226 219.131 201.912 186.255 171.898 158.619 146.209 134.457 123.107 111.706 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 342.886 311.338 283.845 259.719 238.353 219.257 202.041 186.390 172.044 158.783 146.403 134.706 123.459 112.302 100.059 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 343.008 311.449 283.949 259.819 238.450 219.355 202.141 186.494 172.156 158.907 146.550 134.890 123.714 112.708 101.039 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 343.182 311.608 284.097 259.961 238.589 219.493 202.281 186.640 172.313 159.082 146.753 135.144 124.057 113.229 102.062 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 343.354 311.765 284.245 260.102 238.727 219.630 202.420 186.785 172.467 159.252 146.950 135.385 124.377 113.695 102.876 75.591 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 343.525 311.920 284.390 260.241 238.863 219.765 202.557 186.927 172.618 159.418 147.140 135.615 124.676 114.118 103.566 82.310 75.611 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 343.695 312.074 284.535 260.379 238.997 219.898 202.692 187.066 172.766 159.579 147.324 135.836 124.957 114.505 104.170 84.318 79.455 73.745 66.675 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 343.863 312.227 284.678 260.516 239.130 220.030 202.825 187.204 172.912 159.738 147.503 136.047 125.222 114.861 104.705 85.516 81.237 76.619 71.463 65.547 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 344.031 312.379 284.820 260.651 239.262 220.160 202.957 187.340 173.055 159.892 147.676 136.250 125.472 115.191 105.186 86.391 82.398 78.240 73.827 69.048 63.797 58.034 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 344.197 312.530 284.960 260.786 239.392 220.289 203.087 187.473 173.195 160.044 147.845 136.446 125.710 115.497 105.619 87.091 83.273 79.367 75.326 71.092 66.600 61.797 56.668 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 344.362 312.679 285.100 260.919 239.521 220.416 203.215 187.605 173.333 160.192 148.009 136.634 125.935 115.782 106.012 87.682 83.981 80.236 76.418 72.492 68.418 64.160 59.691 55.008 50.142 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 344.525 312.827 285.238 261.050 239.649 220.543 203.342 187.735 173.469 160.338 148.169 136.816 126.151 116.049 106.368 88.197 84.583 80.950 77.280 73.550 69.734 65.808 61.749 57.545 53.200 48.739 44.201 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 344.688 312.974 285.375 261.181 239.775 220.667 203.467 187.863 173.603 160.481 148.325 136.992 126.356 116.299 106.694 88.656 85.108 81.560 77.997 74.403 70.760 67.052 63.262 59.377 55.394 51.320 47.174 42.985 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 344.850 313.120 285.511 261.310 239.901 220.791 203.591 187.990 173.735 160.621 148.478 137.163 126.552 116.533 106.991 89.072 85.578 82.095 78.613 75.119 71.601 68.046 64.442 60.779 57.051 53.258 49.408 45.518 41.609 37.709 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 345.010 313.265 285.646 261.439 240.025 220.913 203.714 188.115 173.865 160.758 148.627 137.328 126.740 116.755 107.265 89.454 86.003 82.574 79.155 75.739 72.315 68.874 65.406 61.903 58.359 54.773 51.147 47.489 43.813 40.137 36.481 99999.999 99999.999 99999.999 99999.999 99999.999 345.170 313.409 285.780 261.566 240.148 221.034 203.835 188.238 173.993 160.894 148.773 137.489 126.922 116.965 107.518 89.808 86.394 83.008 79.642 76.287 72.937 69.584 66.219 62.836 59.431 56.000 52.544 49.067 45.577 42.085 38.606 35.155 31.748 99999.999 99999.999 99999.999 345.328 313.552 285.913 261.693 240.270 221.154 203.955 188.360 174.119 161.027 148.916 137.646 127.097 117.164 107.753 90.138 86.756 83.407 80.084 76.781 73.490 70.206 66.923 63.634 60.336 57.025 53.701 50.365 47.023 43.682 40.351 37.042 33.767 30.538 99999.999 99999.999 345.486 313.694 286.045 261.818 240.391 221.273 204.073 188.480 174.244 161.158 149.056 137.798 127.266 117.356 107.975 90.449 87.095 83.777 80.490 77.230 73.988 70.762 67.544 64.330 61.117 57.901 54.682 51.459 48.236 45.017 41.809 38.620 35.460 32.338 29.265 26.250 345.642 313.835 286.176 261.942 240.512 221.391 204.191 188.600 174.367 161.287 149.194 137.948 127.431 117.541 108.186 90.743 87.412 84.122 80.867 77.643 74.443 71.264 68.100 64.948 61.804 58.665 55.530 52.399 49.273 46.154 43.049 39.962 36.900 33.873 30.886 27.949 347.158 315.196 287.439 263.138 241.662 222.516 205.308 189.726 175.520 162.487 150.460 139.303 128.900 119.154 109.982 93.074 89.888 86.759 83.682 80.656 77.678 74.743 71.851 68.997 66.181 63.400 60.653 57.937 55.252 52.596 49.970 47.372 44.803 42.263 39.751 37.269 348.598 316.483 288.628 264.259 242.737 223.561 206.337 190.754 176.561 163.556 151.571 140.470 130.139 120.482 111.417 94.794 91.679 88.626 85.631 82.693 79.808 76.974 74.189 71.450 68.756 66.103 63.492 60.919 58.384 55.885 53.421 50.990 48.592 46.226 43.891 41.587 349.978 317.709 289.757 265.321 243.751 224.542 207.299 191.708 177.519 164.529 152.571 141.508 131.226 121.629 112.635 96.194 93.122 90.114 87.168 84.282 81.451 78.674 75.949 73.274 70.645 68.062 65.523 63.026 60.569 58.150 55.769 53.424 51.114 48.838 46.594 44.382 351.309 318.885 290.837 266.333 244.714 225.471 208.206 192.603 178.412 165.430 153.488 142.451 132.203 122.648 113.705 97.390 94.347 91.371 88.458 85.605 82.810 80.071 77.384 74.749 72.163 69.624 67.131 64.680 62.272 59.904 57.574 55.282 53.026 50.805 48.617 46.462 352.601 320.020 291.875 267.303 245.636 226.358 209.067 193.450 179.252 166.272 154.340 143.320 133.096 123.572 114.666 98.443 95.422 92.467 89.577 86.749 83.979 81.266 78.608 76.001 73.445 70.936 68.474 66.056 63.680 61.346 59.052 56.796 54.576 52.392 50.243 48.126 353.862 321.122 292.877 268.238 246.522 227.207 209.891 194.256 180.049 167.066 155.139 144.129 133.922 124.421 115.543 99.389 96.384 93.446 90.574 87.763 85.012 82.319 79.680 77.095 74.560 72.073 69.634 67.239 64.888 62.578 60.309 58.079 55.885 53.728 51.606 49.517 355.096 322.195 293.850 269.142 247.377 228.026 210.683 195.029 180.810 167.821 155.894 144.891 134.695 125.210 116.352 100.251 97.258 94.334 91.474 88.678 85.941 83.263 80.640 78.070 75.551 73.081 70.659 68.282 65.949 63.658 61.407 59.196 57.022 54.884 52.782 50.713 99999.999 323.243 294.797 270.020 248.205 228.817 211.446 195.772 181.540 168.543 156.613 145.612 135.423 125.949 117.107 101.047 98.063 95.149 92.300 89.514 86.789 84.121 81.510 78.952 76.446 73.989 71.580 69.217 66.897 64.620 62.384 60.187 58.028 55.906 53.819 51.765 S4-2 S4(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 2.750 1 0.750 4 3.250 6 -3.000 2 -23.278 -21.558 -20.289 -19.353 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -23.278 -21.558 -20.289 -19.353 -18.676 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -23.278 -21.558 -20.289 -19.353 -18.675 -18.208 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 6.000 1 4.000 4 -3.000 2 -6.500 31 471.043 427.972 390.638 358.016 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 471.043 427.972 390.638 358.016 329.233 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 471.049 427.977 390.643 358.021 329.238 303.600 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-24.641 -24.670 -24.753 -25.057 -25.137 -25.223 -25.314 -25.411 -25.513 -25.619 -25.731 -25.847 -25.968 -26.093 -26.223 -26.357 -26.494 -26.636 -26.782 -26.932 -27.086 -27.243 -27.403 -27.568 -34.763 -32.477 -30.592 -29.082 -27.883 -26.939 -26.203 -25.636 -25.209 -24.898 -24.684 -24.552 -24.490 -24.489 -24.542 -24.781 -24.848 -24.920 -24.998 -25.080 -25.168 -25.261 -25.358 -25.460 -25.566 -25.677 -25.791 -25.910 -26.033 -26.159 -26.290 -26.424 -26.562 -26.703 -26.848 -26.996 99999.999 -32.578 -30.678 -29.149 -27.931 -26.967 -26.211 -25.624 -25.176 -24.843 -24.606 -24.451 -24.365 -24.338 -24.364 -24.547 -24.602 -24.662 -24.728 -24.799 -24.875 -24.955 -25.040 -25.130 -25.224 -25.322 -25.424 -25.530 -25.640 -25.754 -25.872 -25.993 -26.118 -26.246 -26.378 -26.514 S5-2 S5(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 8.000 1 5.000 4 -4.000 2 -8.000 31 573.185 520.604 474.976 435.069 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 573.185 520.604 474.976 435.069 399.830 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 573.192 520.611 474.982 435.076 399.836 368.420 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 573.206 520.624 474.994 435.087 399.847 368.432 340.173 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 573.230 520.645 475.014 435.107 399.866 368.451 340.193 314.552 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 573.267 520.680 475.047 435.138 399.897 368.482 340.224 314.585 291.121 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 573.323 520.732 475.096 435.185 399.943 368.528 340.271 314.635 291.175 269.506 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 573.404 520.806 475.166 435.252 400.009 368.594 340.339 314.706 291.252 269.593 249.365 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 573.515 520.908 475.262 435.345 400.099 368.684 340.431 314.803 291.358 269.713 249.510 230.373 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 573.663 521.044 475.390 435.468 400.220 368.805 340.555 314.932 291.498 269.871 249.701 230.623 212.186 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 573.856 521.221 475.557 435.629 400.377 368.962 340.715 315.100 291.679 270.075 249.944 230.938 212.645 194.340 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 574.104 521.449 475.772 435.835 400.579 369.163 340.919 315.314 291.909 270.332 250.248 231.326 213.194 195.272 175.699 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 574.296 521.625 475.937 435.994 400.734 369.317 341.077 315.478 292.085 270.528 250.477 231.615 213.592 195.906 177.244 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 574.570 521.876 476.174 436.220 400.955 369.537 341.300 315.711 292.333 270.803 250.797 232.011 214.127 196.719 178.847 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 574.842 522.125 476.408 436.445 401.174 369.755 341.521 315.939 292.577 271.071 251.106 232.389 214.626 197.445 180.117 136.284 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 575.112 522.373 476.640 436.667 401.391 369.970 341.739 316.165 292.816 271.333 251.405 232.750 215.092 198.103 181.192 147.033 136.317 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 575.380 522.618 476.871 436.887 401.605 370.183 341.954 316.387 293.051 271.588 251.694 233.096 215.531 198.706 182.130 150.243 142.462 133.338 122.077 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 575.647 522.862 477.099 437.106 401.818 370.393 342.166 316.605 293.281 271.838 251.976 233.428 215.946 199.262 182.964 152.150 145.305 137.923 129.691 120.268 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 575.911 523.104 477.326 437.323 402.029 370.601 342.376 316.821 293.508 272.083 252.249 233.747 216.338 199.776 183.711 153.539 147.153 140.507 133.459 125.835 117.473 108.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 576.175 523.344 477.551 437.538 402.237 370.808 342.583 317.034 293.731 272.323 252.516 234.055 216.711 200.255 184.385 154.649 148.541 142.297 135.843 129.086 121.925 114.279 106.130 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 576.436 523.582 477.775 437.751 402.444 371.012 342.788 317.244 293.951 272.559 252.775 234.351 217.065 200.701 184.997 155.584 149.663 143.677 137.578 131.310 124.814 118.030 110.918 103.478 95.760 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 576.696 523.819 477.997 437.963 402.649 371.214 342.991 317.452 294.168 272.790 253.029 234.638 217.403 201.119 185.553 156.397 150.614 144.808 138.945 132.990 126.904 120.645 114.182 107.495 100.593 93.515 86.326 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 576.954 524.055 478.217 438.173 402.853 371.414 343.192 317.657 294.381 273.017 253.276 234.916 217.726 201.510 186.062 157.122 151.445 145.772 140.079 134.341 128.531 122.619 116.581 110.399 104.066 97.595 91.016 84.378 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 577.211 524.289 478.436 438.381 403.055 371.613 343.391 317.859 294.591 273.240 253.518 235.185 218.035 201.879 186.528 157.778 152.186 146.617 141.053 135.475 129.863 124.195 118.453 112.621 106.690 100.661 94.548 88.376 82.181 76.005 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 577.466 524.521 478.653 438.588 403.255 371.810 343.588 318.059 294.799 273.459 253.755 235.447 218.332 202.227 186.956 158.380 152.858 147.373 141.911 136.456 130.993 125.506 119.979 114.401 108.763 103.060 97.299 91.492 85.661 79.833 74.042 99999.999 99999.999 99999.999 99999.999 99999.999 577.720 524.752 478.869 438.793 403.453 372.005 343.783 318.257 295.004 273.675 253.987 235.702 218.618 202.558 187.354 158.938 153.474 148.059 142.679 137.322 131.976 126.628 121.266 115.880 110.460 105.004 99.511 93.988 88.449 82.910 77.395 71.928 66.534 99999.999 99999.999 99999.999 577.972 524.982 479.083 438.997 403.651 372.198 343.976 318.453 295.206 273.887 254.214 235.950 218.895 202.873 187.724 159.459 154.045 148.688 143.377 138.101 132.850 127.612 122.379 117.141 111.891 106.625 101.341 96.042 90.736 85.434 80.151 74.906 69.718 64.607 99999.999 99999.999 578.224 525.210 479.296 439.200 403.846 372.390 344.167 318.647 295.405 274.097 254.438 236.193 219.163 203.175 188.074 159.949 154.578 149.271 144.018 138.810 133.637 128.490 123.361 118.242 113.127 108.011 102.893 97.772 92.654 87.545 82.456 77.400 72.392 67.448 62.582 57.809 578.473 525.437 479.508 439.401 404.040 372.581 344.356 318.839 295.603 274.303 254.657 236.430 219.424 203.467 188.407 160.412 155.079 149.816 144.613 139.462 134.354 129.283 124.240 119.219 114.213 109.219 104.235 99.259 94.293 89.343 84.416 79.520 74.668 69.871 65.141 60.491 580.901 527.638 481.558 441.345 405.912 374.408 346.167 320.659 297.462 276.231 256.685 238.592 221.760 206.027 191.250 164.092 158.986 153.975 149.053 144.215 139.456 134.771 130.156 125.607 121.120 116.692 112.320 108.001 103.734 99.517 95.348 91.226 87.152 83.126 79.147 75.217 583.223 529.735 483.505 443.184 407.674 376.120 347.850 322.337 299.156 277.963 258.479 240.471 223.748 208.149 193.537 166.819 161.824 156.931 152.136 147.435 142.822 138.295 133.848 129.478 125.182 120.956 116.798 112.704 108.673 104.701 100.787 96.929 93.125 89.374 85.675 82.025 585.458 531.746 485.366 444.937 409.349 377.740 349.436 323.906 300.727 279.554 260.107 242.154 225.504 209.995 195.491 169.051 164.122 159.300 154.581 149.959 145.430 140.991 136.637 132.366 128.173 124.055 120.009 116.033 112.123 108.277 104.494 100.770 97.103 93.493 89.936 86.431 587.626 533.686 487.157 446.621 410.953 379.286 350.942 325.389 302.202 281.037 261.611 243.695 227.094 211.647 197.219 170.970 166.086 161.311 156.641 152.072 147.598 143.217 138.923 134.714 130.586 126.536 122.560 118.657 114.822 111.055 107.351 103.709 100.126 96.601 93.132 89.716 589.738 535.569 488.889 448.245 412.497 380.770 352.383 326.802 303.600 282.433 263.018 245.124 228.557 213.155 198.781 172.670 167.818 163.077 158.442 153.910 149.474 145.133 140.881 136.716 132.633 128.629 124.702 120.848 117.064 113.349 109.699 106.112 102.586 99.118 95.707 92.351 591.806 537.404 490.572 449.818 413.989 382.201 353.769 328.156 304.935 283.759 264.347 246.466 229.921 214.550 200.215 174.206 169.378 164.662 160.053 155.548 151.141 146.829 142.607 138.473 134.423 130.453 126.560 122.742 118.995 115.318 111.706 108.158 104.672 101.246 97.876 94.562 593.838 539.199 492.212 451.348 415.438 383.587 355.108 329.461 306.216 285.027 265.611 247.735 231.204 215.854 201.549 175.615 170.805 166.108 161.519 157.034 152.648 148.358 144.160 140.049 136.023 132.078 128.212 124.420 120.700 117.050 113.467 109.949 106.492 103.095 99.756 96.473 99999.999 540.961 493.816 452.840 416.848 384.934 356.406 330.722 307.451 286.245 266.821 248.944 232.420 217.085 202.800 176.923 172.126 167.443 162.869 158.400 154.030 149.757 145.576 141.484 137.476 133.551 129.704 125.932 122.233 118.604 115.042 111.545 108.111 104.737 101.421 98.160 SO2,aq SO2(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 1.750 1 0.750 4 0.250 6 -1.000 2 4.097 2.980 1.861 0.779 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.097 2.980 1.861 0.779 -0.263 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.098 2.980 1.862 0.780 -0.262 -1.266 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.100 2.982 1.864 0.781 -0.260 -1.265 -2.238 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.103 2.985 1.867 0.784 -0.258 -1.262 -2.235 -3.186 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.109 2.990 1.871 0.789 -0.253 -1.257 -2.231 -3.181 -4.118 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.117 2.997 1.878 0.795 -0.247 -1.251 -2.224 -3.174 -4.110 -5.047 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.129 3.008 1.888 0.805 -0.237 -1.241 -2.214 -3.163 -4.098 -5.032 -5.986 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.145 3.022 1.902 0.818 -0.225 -1.228 -2.200 -3.148 -4.081 -5.013 -5.962 -6.959 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.166 3.041 1.919 0.835 -0.207 -1.211 -2.182 -3.128 -4.060 -4.988 -5.931 -6.916 -7.993 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.194 3.066 1.943 0.857 -0.185 -1.188 -2.158 -3.103 -4.031 -4.955 -5.890 -6.863 -7.914 -9.144 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.229 3.098 1.973 0.886 -0.156 -1.159 -2.128 -3.070 -3.996 -4.914 -5.840 -6.797 -7.819 -8.982 -10.580 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.257 3.123 1.996 0.908 -0.134 -1.137 -2.105 -3.046 -3.968 -4.883 -5.803 -6.748 -7.750 -8.872 -10.320 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.296 3.158 2.029 0.940 -0.103 -1.105 -2.072 -3.011 -3.930 -4.839 -5.750 -6.681 -7.658 -8.730 -10.043 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.335 3.192 2.061 0.971 -0.072 -1.074 -2.039 -2.976 -3.892 -4.796 -5.700 -6.618 -7.572 -8.603 -9.821 -13.885 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.373 3.227 2.093 1.002 -0.042 -1.043 -2.008 -2.942 -3.855 -4.755 -5.651 -6.557 -7.492 -8.487 -9.631 -12.194 -13.381 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.411 3.261 2.125 1.033 -0.012 -1.013 -1.976 -2.909 -3.819 -4.715 -5.604 -6.499 -7.416 -8.382 -9.464 -11.685 -12.409 -13.365 -14.697 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.449 3.295 2.157 1.063 0.018 -0.983 -1.945 -2.877 -3.784 -4.675 -5.559 -6.444 -7.346 -8.285 -9.316 -11.377 -11.955 -12.633 -13.465 -14.512 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.486 3.328 2.188 1.093 0.048 -0.953 -1.915 -2.845 -3.750 -4.637 -5.515 -6.391 -7.279 -8.196 -9.184 -11.150 -11.655 -12.217 -12.858 -13.609 -14.498 -15.542 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.523 3.361 2.219 1.123 0.077 -0.923 -1.885 -2.813 -3.716 -4.599 -5.472 -6.341 -7.216 -8.113 -9.065 -10.967 -11.428 -11.926 -12.472 -13.082 -13.773 -14.559 -15.448 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.560 3.394 2.249 1.153 0.106 -0.894 -1.855 -2.782 -3.682 -4.563 -5.430 -6.292 -7.156 -8.036 -8.957 -10.811 -11.242 -11.699 -12.189 -12.720 -13.302 -13.945 -14.658 -15.441 -16.287 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.597 3.427 2.280 1.182 0.135 -0.866 -1.825 -2.751 -3.649 -4.527 -5.390 -6.245 -7.100 -7.965 -8.859 -10.676 -11.084 -11.512 -11.963 -12.444 -12.960 -13.517 -14.121 -14.777 -15.482 -16.232 -17.015 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.633 3.459 2.310 1.211 0.163 -0.837 -1.796 -2.721 -3.617 -4.492 -5.350 -6.200 -7.046 -7.898 -8.771 -10.554 -10.945 -11.351 -11.775 -12.221 -12.692 -13.192 -13.727 -14.298 -14.907 -15.552 -16.228 -16.927 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.668 3.491 2.340 1.239 0.191 -0.809 -1.768 -2.691 -3.585 -4.457 -5.312 -6.156 -6.995 -7.836 -8.691 -10.444 -10.821 -11.210 -11.613 -12.033 -12.471 -12.932 -13.418 -13.931 -14.473 -15.043 -15.639 -16.257 -16.891 -17.533 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.704 3.523 2.369 1.268 0.219 -0.782 -1.740 -2.662 -3.554 -4.423 -5.275 -6.114 -6.946 -7.777 -8.617 -10.342 -10.708 -11.083 -11.470 -11.869 -12.283 -12.715 -13.165 -13.636 -14.130 -14.645 -15.182 -15.737 -16.308 -16.889 -17.474 99999.999 99999.999 99999.999 99999.999 99999.999 4.739 3.554 2.399 1.296 0.246 -0.754 -1.712 -2.632 -3.523 -4.390 -5.238 -6.073 -6.899 -7.722 -8.550 -10.248 -10.604 -10.968 -11.341 -11.724 -12.119 -12.527 -12.951 -13.391 -13.848 -14.322 -14.814 -15.321 -15.842 -16.373 -16.911 -17.450 -17.985 99999.999 99999.999 99999.999 4.774 3.585 2.428 1.324 0.273 -0.727 -1.684 -2.604 -3.493 -4.357 -5.202 -6.033 -6.853 -7.669 -8.487 -10.160 -10.508 -10.862 -11.223 -11.593 -11.972 -12.363 -12.765 -13.180 -13.609 -14.052 -14.509 -14.979 -15.461 -15.952 -16.449 -16.950 -17.449 -17.945 99999.999 99999.999 4.809 3.616 2.457 1.351 0.300 -0.700 -1.657 -2.576 -3.463 -4.325 -5.167 -5.994 -6.810 -7.619 -8.429 -10.078 -10.418 -10.763 -11.115 -11.474 -11.840 -12.215 -12.601 -12.996 -13.403 -13.821 -14.251 -14.691 -15.141 -15.599 -16.064 -16.532 -17.001 -17.468 -17.930 -18.383 4.843 3.647 2.485 1.379 0.327 -0.673 -1.630 -2.548 -3.434 -4.294 -5.133 -5.956 -6.767 -7.571 -8.373 -10.000 -10.333 -10.671 -11.014 -11.363 -11.719 -12.082 -12.453 -12.832 -13.221 -13.619 -14.026 -14.442 -14.867 -15.299 -15.736 -16.177 -16.620 -17.062 -17.500 -17.933 5.173 3.942 2.761 1.641 0.583 -0.420 -1.373 -2.285 -3.159 -4.003 -4.820 -5.615 -6.391 -7.153 -7.902 -9.379 -9.674 -9.968 -10.263 -10.558 -10.854 -11.151 -11.450 -11.750 -12.051 -12.354 -12.659 -12.965 -13.274 -13.583 -13.894 -14.206 -14.519 -14.832 -15.146 -15.459 5.482 4.219 3.018 1.887 0.821 -0.185 -1.139 -2.046 -2.913 -3.746 -4.548 -5.324 -6.078 -6.812 -7.529 -8.924 -9.198 -9.471 -9.743 -10.014 -10.284 -10.553 -10.822 -11.090 -11.358 -11.626 -11.894 -12.161 -12.429 -12.696 -12.963 -13.230 -13.497 -13.764 -14.030 -14.296 5.773 4.480 3.261 2.117 1.044 0.034 -0.921 -1.827 -2.689 -3.514 -4.306 -5.068 -5.806 -6.521 -7.216 -8.557 -8.818 -9.078 -9.335 -9.591 -9.846 -10.099 -10.351 -10.601 -10.851 -11.099 -11.346 -11.593 -11.838 -12.083 -12.327 -12.571 -12.813 -13.055 -13.297 -13.537 6.052 4.729 3.492 2.336 1.255 0.240 -0.717 -1.622 -2.482 -3.301 -4.085 -4.838 -5.564 -6.265 -6.944 -8.245 -8.498 -8.748 -8.996 -9.242 -9.486 -9.728 -9.968 -10.207 -10.444 -10.680 -10.914 -11.147 -11.379 -11.610 -11.839 -12.067 -12.295 -12.521 -12.747 -12.971 6.319 4.967 3.712 2.545 1.456 0.435 -0.524 -1.430 -2.288 -3.104 -3.882 -4.628 -5.344 -6.034 -6.701 -7.973 -8.219 -8.463 -8.703 -8.942 -9.178 -9.413 -9.645 -9.875 -10.103 -10.330 -10.555 -10.779 -11.001 -11.221 -11.441 -11.659 -11.876 -12.091 -12.306 -12.519 6.577 5.196 3.924 2.745 1.648 0.622 -0.340 -1.247 -2.105 -2.919 -3.694 -4.434 -5.143 -5.824 -6.481 -7.731 -7.972 -8.210 -8.445 -8.678 -8.909 -9.137 -9.363 -9.587 -9.809 -10.029 -10.247 -10.463 -10.678 -10.892 -11.103 -11.314 -11.523 -11.731 -11.937 -12.142 6.827 5.418 4.128 2.937 1.832 0.801 -0.165 -1.074 -1.931 -2.744 -3.516 -4.252 -4.956 -5.631 -6.280 -7.512 -7.748 -7.982 -8.213 -8.442 -8.668 -8.891 -9.112 -9.331 -9.548 -9.763 -9.976 -10.187 -10.396 -10.604 -10.810 -11.015 -11.218 -11.420 -11.620 -11.820 99999.999 5.634 4.325 3.123 2.010 0.973 0.004 -0.907 -1.766 -2.578 -3.348 -4.081 -4.781 -5.451 -6.094 -7.311 -7.544 -7.775 -8.002 -8.227 -8.450 -8.669 -8.887 -9.102 -9.315 -9.525 -9.734 -9.941 -10.146 -10.349 -10.551 -10.751 -10.950 -11.147 -11.343 -11.538 SO2,aq SO2(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 2.000 1 1.000 4 -0.500 31 -1.000 2 42.122 37.559 33.471 29.807 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.122 37.559 33.471 29.807 26.499 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.123 37.560 33.473 29.808 26.500 23.488 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.126 37.563 33.475 29.811 26.503 23.490 20.722 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.130 37.567 33.479 29.815 26.507 23.494 20.726 18.158 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.138 37.574 33.485 29.821 26.513 23.500 20.732 18.165 15.759 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.149 37.584 33.495 29.830 26.522 23.510 20.742 18.175 15.770 13.489 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.165 37.599 33.509 29.843 26.535 23.523 20.756 18.189 15.786 13.508 11.313 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.187 37.619 33.528 29.862 26.553 23.541 20.774 18.209 15.808 13.533 11.344 9.189 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.217 37.646 33.553 29.886 26.577 23.565 20.799 18.236 15.837 13.566 11.384 9.243 7.070 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.255 37.681 33.586 29.918 26.608 23.596 20.831 18.270 15.874 13.608 11.435 9.310 7.169 4.877 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.305 37.726 33.628 29.959 26.648 23.637 20.873 18.313 15.921 13.662 11.499 9.393 7.286 5.077 2.387 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.343 37.761 33.661 29.990 26.679 23.667 20.904 18.347 15.957 13.702 11.547 9.454 7.372 5.214 2.715 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.398 37.810 33.708 30.035 26.723 23.711 20.949 18.394 16.008 13.759 11.615 9.538 7.487 5.389 3.059 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.452 37.859 33.754 30.079 26.766 23.755 20.994 18.440 16.058 13.815 11.679 9.619 7.594 5.546 3.333 -3.217 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.505 37.908 33.800 30.123 26.809 23.798 21.038 18.486 16.107 13.869 11.742 9.695 7.694 5.688 3.566 -0.989 -2.756 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.558 37.956 33.845 30.166 26.852 23.840 21.081 18.531 16.155 13.922 11.803 9.768 7.788 5.818 3.770 -0.324 -1.481 -2.933 -4.855 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.611 38.004 33.890 30.209 26.894 23.882 21.123 18.575 16.202 13.974 11.861 9.838 7.876 5.938 3.951 0.075 -0.890 -1.979 -3.260 -4.808 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.664 38.052 33.934 30.252 26.935 23.923 21.165 18.619 16.249 14.024 11.918 9.906 7.960 6.049 4.113 0.366 -0.503 -1.440 -2.474 -3.641 -4.978 -6.501 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.716 38.099 33.979 30.294 26.977 23.964 21.207 18.662 16.294 14.074 11.974 9.970 8.039 6.151 4.259 0.600 -0.212 -1.065 -1.975 -2.961 -4.044 -5.242 -6.562 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.767 38.146 34.022 30.336 27.018 24.005 21.248 18.705 16.339 14.122 12.028 10.033 8.114 6.247 4.391 0.797 0.024 -0.775 -1.611 -2.494 -3.438 -4.454 -5.551 -6.731 -7.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.819 38.192 34.066 30.378 27.058 24.045 21.289 18.746 16.383 14.170 12.081 10.093 8.186 6.336 4.512 0.969 0.225 -0.537 -1.323 -2.141 -2.999 -3.904 -4.864 -5.883 -6.959 -8.084 -9.245 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.870 38.238 34.109 30.419 27.098 24.085 21.329 18.788 16.427 14.216 12.132 10.151 8.254 6.420 4.621 1.122 0.401 -0.333 -1.084 -1.857 -2.657 -3.489 -4.359 -5.270 -6.225 -7.219 -8.247 -9.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.920 38.284 34.152 30.460 27.138 24.124 21.369 18.829 16.470 14.262 12.182 10.208 8.320 6.498 4.721 1.262 0.558 -0.154 -0.878 -1.617 -2.376 -3.157 -3.965 -4.802 -5.671 -6.571 -7.499 -8.449 -9.414 -10.385 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.970 38.330 34.194 30.501 27.177 24.163 21.408 18.869 16.512 14.307 12.231 10.262 8.382 6.572 4.813 1.389 0.700 0.006 -0.697 -1.410 -2.137 -2.880 -3.643 -4.426 -5.233 -6.064 -6.917 -7.789 -8.675 -9.570 -10.466 99999.999 99999.999 99999.999 99999.999 99999.999 43.020 38.375 34.237 30.541 27.217 24.202 21.447 18.909 16.553 14.351 12.279 10.316 8.442 6.642 4.897 1.508 0.831 0.151 -0.534 -1.226 -1.929 -2.643 -3.371 -4.114 -4.875 -5.653 -6.449 -7.260 -8.084 -8.916 -9.753 -10.587 -11.414 99999.999 99999.999 99999.999 43.070 38.420 34.279 30.581 27.255 24.240 21.485 18.948 16.594 14.395 12.326 10.367 8.500 6.709 4.976 1.619 0.953 0.285 -0.386 -1.061 -1.744 -2.434 -3.135 -3.847 -4.572 -5.310 -6.062 -6.825 -7.599 -8.381 -9.167 -9.954 -10.736 -11.509 99999.999 99999.999 43.119 38.464 34.320 30.621 27.294 24.278 21.523 18.987 16.635 14.438 12.372 10.418 8.557 6.773 5.050 1.723 1.066 0.409 -0.249 -0.911 -1.577 -2.248 -2.927 -3.614 -4.311 -5.017 -5.733 -6.459 -7.193 -7.934 -8.679 -9.424 -10.167 -10.904 -11.632 -12.347 43.168 38.509 34.362 30.660 27.332 24.316 21.561 19.025 16.675 14.480 12.418 10.467 8.611 6.834 5.121 1.821 1.172 0.525 -0.123 -0.772 -1.424 -2.080 -2.741 -3.407 -4.080 -4.761 -5.449 -6.144 -6.846 -7.553 -8.263 -8.974 -9.684 -10.390 -11.088 -11.776 43.642 38.937 34.761 31.040 27.699 24.676 21.920 19.390 17.050 14.872 12.834 10.915 9.098 7.371 5.721 2.603 2.003 1.410 0.822 0.240 -0.338 -0.911 -1.481 -2.047 -2.611 -3.171 -3.729 -4.285 -4.839 -5.391 -5.940 -6.487 -7.032 -7.574 -8.113 -8.648 44.092 39.343 35.138 31.397 28.043 25.012 22.253 19.723 17.389 15.222 13.199 11.300 9.510 7.813 6.200 3.180 2.604 2.037 1.477 0.924 0.379 -0.161 -0.694 -1.222 -1.744 -2.261 -2.773 -3.281 -3.784 -4.283 -4.778 -5.269 -5.756 -6.239 -6.718 -7.194 44.522 39.729 35.496 31.736 28.368 25.328 22.564 20.034 17.702 15.542 13.529 11.644 9.870 8.195 6.607 3.650 3.089 2.537 1.994 1.459 0.932 0.412 -0.101 -0.607 -1.106 -1.600 -2.088 -2.570 -3.046 -3.518 -3.985 -4.446 -4.904 -5.357 -5.805 -6.249 44.937 40.101 35.840 32.060 28.678 25.629 22.859 20.325 17.994 15.838 13.831 11.956 10.195 8.535 6.964 4.051 3.501 2.960 2.428 1.904 1.390 0.883 0.383 -0.109 -0.594 -1.072 -1.544 -2.010 -2.471 -2.925 -3.374 -3.818 -4.257 -4.691 -5.120 -5.545 45.339 40.460 36.171 32.372 28.976 25.916 23.139 20.602 18.270 16.115 14.113 12.244 10.492 8.843 7.286 4.405 3.862 3.329 2.805 2.290 1.784 1.286 0.796 0.314 -0.161 -0.629 -1.090 -1.545 -1.994 -2.437 -2.874 -3.305 -3.732 -4.153 -4.569 -4.981 45.731 40.808 36.492 32.672 29.262 26.193 23.408 20.866 18.532 16.377 14.377 12.513 10.767 9.127 7.579 4.723 4.185 3.658 3.140 2.632 2.132 1.641 1.158 0.683 0.216 -0.244 -0.698 -1.145 -1.585 -2.019 -2.448 -2.871 -3.288 -3.700 -4.107 -4.509 46.115 41.148 36.803 32.964 29.540 26.459 23.667 21.120 18.783 16.626 14.627 12.766 11.025 9.391 7.850 5.013 4.480 3.957 3.444 2.940 2.446 1.960 1.483 1.013 0.551 0.097 -0.351 -0.791 -1.226 -1.654 -2.076 -2.492 -2.902 -3.308 -3.708 -4.103 99999.999 41.480 37.106 33.247 29.808 26.717 23.917 21.364 19.023 16.865 14.866 13.006 11.268 9.638 8.104 5.281 4.751 4.232 3.722 3.223 2.732 2.250 1.777 1.312 0.854 0.404 -0.039 -0.475 -0.904 -1.327 -1.744 -2.155 -2.561 -2.961 -3.356 -3.745 SO3-2 SO3(-2) P-T:All Charge =-2. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 3 -0.250 1 0.250 6 0.750 4 12.871 12.045 11.366 10.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.871 12.045 11.366 10.800 10.321 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.871 12.045 11.366 10.799 10.321 9.914 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.870 12.044 11.365 10.798 10.320 9.913 9.566 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.869 12.043 11.364 10.797 10.319 9.912 9.565 9.268 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.867 12.040 11.362 10.795 10.317 9.910 9.563 9.265 9.012 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.864 12.037 11.358 10.792 10.313 9.907 9.559 9.262 9.008 8.793 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.860 12.032 11.353 10.787 10.309 9.902 9.555 9.258 9.004 8.788 8.609 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.854 12.026 11.347 10.780 10.302 9.896 9.549 9.252 8.997 8.782 8.601 8.457 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.847 12.017 11.338 10.772 10.294 9.888 9.541 9.243 8.989 8.773 8.592 8.446 8.337 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.836 12.006 11.327 10.761 10.283 9.877 9.530 9.233 8.978 8.761 8.579 8.432 8.319 8.248 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.824 11.991 11.312 10.746 10.269 9.863 9.516 9.219 8.964 8.747 8.564 8.414 8.298 8.220 8.197 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.814 11.980 11.300 10.735 10.258 9.852 9.505 9.208 8.953 8.735 8.552 8.400 8.281 8.199 8.172 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.799 11.964 11.284 10.718 10.242 9.836 9.490 9.193 8.938 8.719 8.535 8.381 8.259 8.170 8.132 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.785 11.948 11.268 10.702 10.226 9.821 9.475 9.177 8.922 8.704 8.518 8.363 8.237 8.143 8.095 7.740 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.771 11.932 11.251 10.686 10.210 9.805 9.459 9.162 8.907 8.688 8.501 8.345 8.216 8.117 8.059 7.802 7.747 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.756 11.916 11.235 10.670 10.194 9.790 9.444 9.147 8.892 8.673 8.485 8.327 8.196 8.092 8.025 7.801 7.765 7.727 7.701 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.742 11.900 11.219 10.654 10.179 9.775 9.429 9.132 8.877 8.657 8.469 8.310 8.176 8.069 7.994 7.787 7.758 7.728 7.699 7.678 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.728 11.884 11.203 10.638 10.163 9.760 9.414 9.117 8.862 8.642 8.454 8.293 8.157 8.047 7.965 7.770 7.743 7.716 7.691 7.667 7.651 7.648 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.714 11.868 11.186 10.622 10.148 9.744 9.399 9.103 8.847 8.627 8.438 8.276 8.139 8.025 7.938 7.751 7.725 7.700 7.676 7.654 7.635 7.621 7.617 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.700 11.852 11.170 10.606 10.132 9.729 9.384 9.088 8.832 8.612 8.423 8.260 8.122 8.005 7.913 7.733 7.706 7.682 7.659 7.638 7.619 7.602 7.590 7.585 7.587 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.686 11.836 11.154 10.591 10.117 9.714 9.370 9.073 8.818 8.598 8.408 8.244 8.105 7.986 7.890 7.714 7.688 7.663 7.641 7.620 7.601 7.584 7.569 7.559 7.553 7.552 7.557 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.672 11.820 11.138 10.575 10.101 9.699 9.355 9.059 8.803 8.583 8.393 8.229 8.088 7.968 7.868 7.696 7.669 7.645 7.622 7.601 7.582 7.565 7.549 7.537 7.527 7.520 7.518 7.519 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.658 11.804 11.122 10.559 10.086 9.684 9.340 9.044 8.789 8.568 8.378 8.214 8.072 7.950 7.848 7.678 7.651 7.626 7.603 7.582 7.563 7.545 7.530 7.516 7.504 7.495 7.488 7.484 7.482 7.483 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.644 11.789 11.106 10.543 10.071 9.669 9.325 9.030 8.775 8.554 8.363 8.199 8.056 7.934 7.829 7.660 7.633 7.608 7.585 7.563 7.544 7.526 7.510 7.495 7.483 7.472 7.463 7.456 7.451 7.447 7.445 99999.999 99999.999 99999.999 99999.999 99999.999 12.631 11.773 11.090 10.528 10.055 9.654 9.311 9.015 8.760 8.540 8.349 8.184 8.041 7.918 7.812 7.642 7.615 7.590 7.566 7.545 7.525 7.507 7.490 7.475 7.462 7.450 7.440 7.432 7.425 7.419 7.414 7.409 7.405 99999.999 99999.999 99999.999 12.617 11.757 11.075 10.512 10.040 9.639 9.296 9.001 8.746 8.526 8.335 8.169 8.026 7.902 7.795 7.625 7.598 7.572 7.548 7.526 7.506 7.488 7.471 7.456 7.442 7.430 7.419 7.409 7.401 7.393 7.387 7.381 7.375 7.369 99999.999 99999.999 12.603 11.742 11.059 10.497 10.025 9.625 9.282 8.987 8.732 8.511 8.320 8.155 8.011 7.887 7.779 7.608 7.580 7.554 7.530 7.508 7.488 7.469 7.452 7.436 7.422 7.409 7.398 7.387 7.378 7.370 7.362 7.355 7.349 7.342 7.335 7.327 12.589 11.726 11.043 10.481 10.010 9.610 9.267 8.973 8.718 8.497 8.306 8.140 7.996 7.872 7.764 7.592 7.564 7.537 7.513 7.490 7.470 7.450 7.433 7.417 7.402 7.389 7.377 7.367 7.357 7.348 7.340 7.332 7.325 7.318 7.310 7.302 12.455 11.572 10.886 10.327 9.860 9.464 9.125 8.833 8.581 8.361 8.170 8.003 7.858 7.730 7.619 7.439 7.408 7.380 7.353 7.328 7.304 7.282 7.262 7.243 7.225 7.209 7.194 7.180 7.167 7.156 7.145 7.135 7.126 7.118 7.110 7.103 12.323 11.420 10.732 10.175 9.712 9.321 8.986 8.698 8.448 8.230 8.040 7.874 7.728 7.600 7.487 7.302 7.270 7.240 7.212 7.186 7.161 7.137 7.115 7.094 7.074 7.056 7.039 7.023 7.008 6.994 6.982 6.970 6.959 6.949 6.940 6.932 12.193 11.271 10.580 10.026 9.567 9.180 8.850 8.565 8.318 8.103 7.915 7.749 7.604 7.476 7.363 7.176 7.144 7.113 7.084 7.057 7.031 7.006 6.983 6.961 6.940 6.920 6.902 6.884 6.868 6.853 6.839 6.826 6.813 6.802 6.792 6.782 12.066 11.123 10.430 9.878 9.424 9.041 8.715 8.435 8.191 7.979 7.793 7.629 7.485 7.358 7.245 7.057 7.025 6.994 6.965 6.937 6.910 6.885 6.861 6.838 6.817 6.796 6.777 6.759 6.742 6.726 6.710 6.696 6.683 6.671 6.659 6.648 11.940 10.977 10.281 9.732 9.282 8.904 8.583 8.306 8.067 7.857 7.674 7.513 7.370 7.244 7.132 6.945 6.912 6.881 6.852 6.824 6.797 6.771 6.747 6.724 6.702 6.681 6.661 6.643 6.625 6.608 6.593 6.578 6.564 6.551 6.538 6.527 11.815 10.832 10.133 9.587 9.141 8.768 8.451 8.179 7.943 7.738 7.557 7.398 7.258 7.133 7.022 6.836 6.804 6.773 6.744 6.716 6.689 6.663 6.639 6.616 6.594 6.573 6.553 6.534 6.516 6.499 6.482 6.467 6.453 6.439 6.426 6.414 11.691 10.687 9.986 9.443 9.001 8.633 8.321 8.053 7.822 7.620 7.442 7.286 7.147 7.025 6.915 6.732 6.699 6.669 6.640 6.612 6.585 6.560 6.535 6.512 6.490 6.469 6.449 6.430 6.412 6.395 6.378 6.363 6.348 6.334 6.321 6.309 99999.999 10.544 9.840 9.299 8.862 8.499 8.192 7.929 7.701 7.503 7.329 7.175 7.039 6.919 6.811 6.630 6.598 6.568 6.539 6.511 6.485 6.460 6.436 6.413 6.391 6.370 6.350 6.331 6.313 6.296 6.279 6.264 6.249 6.235 6.222 6.210 SO3-2 SO3(-2) P-T:All Charge =-2. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 2 1.000 4 -0.500 31 50.896 46.624 42.976 39.828 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.896 46.624 42.976 39.828 37.083 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.896 46.624 42.976 39.828 37.083 34.669 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.896 46.624 42.976 39.828 37.083 34.668 32.526 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.896 46.624 42.976 39.828 37.083 34.668 32.526 30.612 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.896 46.624 42.975 39.827 37.083 34.668 32.526 30.611 28.889 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.896 46.624 42.975 39.827 37.082 34.667 32.525 30.611 28.888 27.329 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.897 46.623 42.974 39.826 37.081 34.666 32.524 30.610 28.888 27.328 25.908 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.897 46.623 42.973 39.825 37.080 34.665 32.523 30.609 28.887 27.327 25.907 24.605 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.898 46.622 42.972 39.823 37.078 34.663 32.521 30.607 28.885 27.326 25.906 24.605 23.400 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.898 46.621 42.970 39.821 37.076 34.661 32.519 30.605 28.883 27.324 25.905 24.604 23.402 22.268 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.899 46.619 42.968 39.818 37.073 34.658 32.516 30.602 28.881 27.322 25.903 24.603 23.403 22.279 21.164 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.900 46.618 42.966 39.816 37.071 34.656 32.514 30.600 28.879 27.320 25.902 24.602 23.403 22.284 21.206 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.901 46.616 42.963 39.813 37.068 34.653 32.511 30.597 28.876 27.318 25.899 24.601 23.403 22.289 21.235 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.902 46.614 42.960 39.810 37.064 34.650 32.508 30.594 28.873 27.315 25.897 24.599 23.402 22.291 21.248 18.409 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.903 46.613 42.958 39.807 37.061 34.646 32.504 30.591 28.870 27.312 25.894 24.597 23.401 22.292 21.255 19.007 18.372 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.903 46.611 42.955 39.804 37.058 34.643 32.501 30.588 28.867 27.309 25.892 24.595 23.400 22.292 21.259 19.162 18.693 18.159 17.543 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.904 46.609 42.952 39.800 37.054 34.639 32.498 30.584 28.864 27.306 25.889 24.592 23.398 22.292 21.261 19.239 18.823 18.382 17.903 17.382 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.905 46.607 42.949 39.797 37.051 34.636 32.494 30.581 28.860 27.303 25.887 24.590 23.396 22.291 21.261 19.286 18.894 18.493 18.075 17.635 17.171 16.689 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.906 46.605 42.946 39.794 37.047 34.632 32.491 30.578 28.857 27.300 25.884 24.587 23.394 22.290 21.261 19.318 18.941 18.561 18.174 17.776 17.364 16.938 16.502 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.907 46.604 42.943 39.790 37.044 34.629 32.487 30.574 28.854 27.297 25.881 24.585 23.392 22.289 21.261 19.341 18.973 18.606 18.237 17.863 17.483 17.094 16.697 16.294 15.891 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.908 46.602 42.940 39.787 37.040 34.625 32.484 30.571 28.851 27.294 25.878 24.582 23.390 22.287 21.261 19.359 18.997 18.638 18.281 17.922 17.562 17.197 16.827 16.453 16.076 15.700 15.327 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.909 46.600 42.937 39.784 37.037 34.622 32.480 30.567 28.847 27.291 25.875 24.580 23.388 22.286 21.260 19.372 19.016 18.663 18.313 17.965 17.617 17.268 16.917 16.564 16.209 15.853 15.498 15.147 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.910 46.598 42.934 39.780 37.033 34.618 32.477 30.564 28.844 27.288 25.872 24.577 23.386 22.284 21.260 19.383 19.030 18.682 18.338 17.997 17.659 17.321 16.983 16.645 16.306 15.967 15.629 15.292 14.959 14.631 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.911 46.596 42.931 39.777 37.029 34.614 32.473 30.560 28.840 27.285 25.869 24.575 23.384 22.283 21.259 19.392 19.041 18.697 18.358 18.022 17.690 17.361 17.032 16.705 16.379 16.053 15.728 15.405 15.084 14.766 14.453 99999.999 99999.999 99999.999 99999.999 99999.999 50.912 46.594 42.928 39.773 37.026 34.611 32.469 30.557 28.837 27.281 25.866 24.572 23.382 22.282 21.259 19.399 19.051 18.709 18.373 18.042 17.715 17.391 17.071 16.752 16.435 16.120 15.806 15.493 15.183 14.876 14.572 14.272 13.977 99999.999 99999.999 99999.999 50.913 46.592 42.925 39.770 37.022 34.607 32.466 30.553 28.833 27.278 25.863 24.569 23.380 22.280 21.258 19.404 19.058 18.719 18.386 18.058 17.735 17.416 17.101 16.789 16.479 16.172 15.866 15.563 15.262 14.964 14.668 14.377 14.089 13.805 99999.999 99999.999 50.914 46.590 42.922 39.766 37.018 34.603 32.462 30.549 28.830 27.275 25.860 24.566 23.377 22.279 21.258 19.409 19.064 18.727 18.396 18.071 17.751 17.436 17.125 16.818 16.514 16.213 15.915 15.619 15.326 15.035 14.748 14.463 14.182 13.905 13.632 13.363 50.915 46.588 42.919 39.762 37.015 34.599 32.458 30.546 28.826 27.271 25.857 24.563 23.375 22.277 21.257 19.412 19.069 18.733 18.404 18.082 17.764 17.452 17.145 16.842 16.543 16.247 15.954 15.665 15.378 15.094 14.813 14.535 14.260 13.989 13.722 13.459 50.924 46.566 42.886 39.725 36.975 34.560 32.419 30.508 28.789 27.236 25.823 24.532 23.347 22.254 21.242 19.421 19.085 18.757 18.437 18.125 17.820 17.522 17.231 16.945 16.666 16.392 16.123 15.860 15.602 15.348 15.099 14.854 14.613 14.376 14.144 13.915 50.933 46.544 42.852 39.686 36.934 34.518 32.378 30.467 28.750 27.198 25.787 24.498 23.315 22.225 21.216 19.406 19.073 18.748 18.432 18.124 17.823 17.529 17.243 16.963 16.689 16.421 16.160 15.904 15.653 15.408 15.167 14.932 14.701 14.474 14.252 14.035 50.942 46.520 42.816 39.645 36.891 34.475 32.335 30.426 28.710 27.159 25.749 24.462 23.280 22.192 21.186 19.382 19.051 18.728 18.413 18.107 17.808 17.517 17.233 16.955 16.684 16.419 16.160 15.908 15.660 15.418 15.182 14.950 14.723 14.501 14.283 14.070 50.951 46.495 42.779 39.602 36.847 34.431 32.291 30.382 28.668 27.118 25.710 24.424 23.244 22.158 21.153 19.354 19.023 18.702 18.388 18.083 17.786 17.496 17.213 16.937 16.667 16.404 16.147 15.896 15.650 15.410 15.175 14.946 14.721 14.501 14.285 14.074 50.960 46.470 42.740 39.559 36.802 34.385 32.246 30.338 28.625 27.076 25.669 24.385 23.206 22.121 21.119 19.323 18.993 18.672 18.360 18.056 17.759 17.470 17.188 16.913 16.644 16.382 16.126 15.876 15.632 15.393 15.159 14.931 14.707 14.489 14.274 14.065 50.969 46.444 42.701 39.515 36.756 34.338 32.200 30.293 28.581 27.033 25.628 24.345 23.168 22.084 21.083 19.290 18.961 18.641 18.329 18.026 17.730 17.441 17.160 16.886 16.618 16.357 16.102 15.852 15.609 15.371 15.138 14.910 14.688 14.470 14.256 14.047 50.978 46.417 42.662 39.469 36.708 34.291 32.153 30.247 28.536 26.990 25.586 24.304 23.128 22.046 21.046 19.256 18.928 18.608 18.297 17.994 17.699 17.411 17.130 16.857 16.590 16.329 16.074 15.826 15.583 15.345 15.113 14.886 14.664 14.447 14.234 14.026 99999.999 46.390 42.621 39.424 36.661 34.243 32.105 30.200 28.490 26.946 25.543 24.262 23.088 22.007 21.009 19.221 18.894 18.574 18.264 17.961 17.667 17.379 17.099 16.826 16.560 16.299 16.045 15.797 15.555 15.318 15.086 14.860 14.638 14.422 14.210 14.002 HSO3- HSO3(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 3 0.750 1 0.750 4 0.250 6 5.750 4.840 3.993 3.214 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.750 4.840 3.993 3.214 2.495 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.750 4.840 3.993 3.214 2.495 1.827 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.751 4.841 3.994 3.215 2.496 1.827 1.199 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.753 4.842 3.995 3.216 2.497 1.828 1.200 0.604 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.755 4.844 3.997 3.218 2.499 1.830 1.202 0.607 0.035 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.759 4.847 4.000 3.221 2.502 1.833 1.205 0.610 0.038 -0.518 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.764 4.852 4.004 3.225 2.506 1.837 1.210 0.615 0.044 -0.512 -1.065 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.771 4.858 4.010 3.230 2.511 1.843 1.216 0.621 0.051 -0.503 -1.054 -1.616 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.781 4.866 4.018 3.238 2.518 1.850 1.223 0.630 0.061 -0.492 -1.039 -1.596 -2.184 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.794 4.877 4.027 3.247 2.528 1.860 1.234 0.641 0.073 -0.477 -1.020 -1.571 -2.147 -2.786 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.810 4.891 4.040 3.259 2.540 1.872 1.246 0.655 0.089 -0.458 -0.997 -1.540 -2.103 -2.717 -3.478 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.822 4.901 4.049 3.268 2.549 1.881 1.256 0.665 0.101 -0.444 -0.980 -1.517 -2.071 -2.667 -3.390 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.839 4.916 4.063 3.281 2.562 1.894 1.270 0.680 0.118 -0.425 -0.956 -1.486 -2.027 -2.602 -3.278 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.856 4.930 4.076 3.294 2.574 1.907 1.284 0.695 0.134 -0.406 -0.933 -1.457 -1.987 -2.542 -3.179 -4.219 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.873 4.945 4.089 3.306 2.586 1.920 1.297 0.709 0.150 -0.388 -0.911 -1.428 -1.949 -2.487 -3.090 -3.980 -4.282 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.890 4.959 4.102 3.319 2.599 1.932 1.310 0.723 0.166 -0.370 -0.890 -1.402 -1.913 -2.437 -3.010 -3.888 -4.124 -4.402 -4.786 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.906 4.973 4.115 3.331 2.610 1.944 1.322 0.737 0.181 -0.353 -0.870 -1.377 -1.880 -2.391 -2.938 -3.815 -4.032 -4.264 -4.528 -4.853 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.922 4.986 4.127 3.342 2.622 1.956 1.335 0.750 0.195 -0.336 -0.850 -1.353 -1.849 -2.348 -2.873 -3.753 -3.958 -4.173 -4.401 -4.655 -4.948 -5.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.938 5.000 4.139 3.354 2.633 1.967 1.347 0.763 0.209 -0.320 -0.832 -1.330 -1.820 -2.309 -2.815 -3.697 -3.895 -4.099 -4.311 -4.535 -4.779 -5.050 -5.359 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.954 5.013 4.151 3.365 2.645 1.979 1.359 0.776 0.223 -0.305 -0.813 -1.308 -1.792 -2.273 -2.763 -3.647 -3.839 -4.035 -4.236 -4.445 -4.665 -4.900 -5.155 -5.435 -5.742 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.969 5.026 4.163 3.377 2.656 1.990 1.370 0.788 0.237 -0.289 -0.796 -1.287 -1.766 -2.240 -2.717 -3.600 -3.788 -3.978 -4.172 -4.371 -4.576 -4.791 -5.018 -5.260 -5.518 -5.794 -6.087 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.985 5.039 4.175 3.388 2.666 2.001 1.382 0.800 0.250 -0.275 -0.779 -1.267 -1.742 -2.209 -2.675 -3.557 -3.741 -3.926 -4.114 -4.306 -4.502 -4.704 -4.914 -5.133 -5.362 -5.604 -5.857 -6.120 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.000 5.051 4.186 3.398 2.677 2.012 1.393 0.812 0.263 -0.260 -0.762 -1.248 -1.719 -2.181 -2.638 -3.517 -3.697 -3.878 -4.061 -4.247 -4.436 -4.630 -4.828 -5.033 -5.244 -5.463 -5.690 -5.925 -6.166 -6.410 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.014 5.064 4.197 3.409 2.688 2.022 1.404 0.824 0.276 -0.246 -0.747 -1.229 -1.698 -2.155 -2.605 -3.479 -3.656 -3.834 -4.013 -4.194 -4.378 -4.564 -4.754 -4.949 -5.148 -5.352 -5.562 -5.777 -5.996 -6.218 -6.442 99999.999 99999.999 99999.999 99999.999 99999.999 6.029 5.076 4.208 3.420 2.698 2.033 1.414 0.835 0.288 -0.232 -0.731 -1.212 -1.677 -2.131 -2.575 -3.443 -3.617 -3.792 -3.968 -4.145 -4.324 -4.505 -4.689 -4.876 -5.066 -5.259 -5.457 -5.658 -5.862 -6.068 -6.276 -6.483 -6.688 99999.999 99999.999 99999.999 6.043 5.088 4.219 3.430 2.708 2.043 1.425 0.846 0.300 -0.219 -0.716 -1.195 -1.658 -2.108 -2.548 -3.409 -3.581 -3.753 -3.926 -4.100 -4.275 -4.451 -4.630 -4.811 -4.994 -5.179 -5.368 -5.558 -5.751 -5.946 -6.141 -6.336 -6.529 -6.720 99999.999 99999.999 6.058 5.100 4.230 3.440 2.718 2.053 1.435 0.857 0.312 -0.206 -0.701 -1.178 -1.639 -2.086 -2.523 -3.377 -3.546 -3.716 -3.886 -4.057 -4.228 -4.401 -4.576 -4.751 -4.929 -5.108 -5.290 -5.473 -5.657 -5.842 -6.028 -6.214 -6.398 -6.580 -6.758 -6.932 6.072 5.111 4.241 3.450 2.728 2.063 1.445 0.868 0.324 -0.193 -0.687 -1.162 -1.621 -2.066 -2.500 -3.346 -3.513 -3.681 -3.848 -4.017 -4.185 -4.355 -4.525 -4.697 -4.870 -5.044 -5.220 -5.397 -5.574 -5.753 -5.931 -6.109 -6.286 -6.461 -6.633 -6.801 6.203 5.220 4.339 3.542 2.818 2.153 1.538 0.966 0.429 -0.079 -0.561 -1.022 -1.464 -1.890 -2.302 -3.092 -3.246 -3.399 -3.550 -3.701 -3.852 -4.001 -4.150 -4.299 -4.447 -4.594 -4.742 -4.889 -5.035 -5.182 -5.327 -5.473 -5.617 -5.760 -5.903 -6.044 6.320 5.316 4.424 3.623 2.896 2.231 1.617 1.048 0.516 0.016 -0.458 -0.908 -1.338 -1.751 -2.148 -2.903 -3.049 -3.193 -3.336 -3.477 -3.617 -3.757 -3.895 -4.032 -4.168 -4.303 -4.438 -4.572 -4.705 -4.838 -4.970 -5.101 -5.231 -5.361 -5.490 -5.619 6.426 5.402 4.501 3.694 2.964 2.298 1.686 1.120 0.592 0.096 -0.371 -0.813 -1.234 -1.637 -2.023 -2.752 -2.892 -3.031 -3.167 -3.302 -3.436 -3.568 -3.699 -3.829 -3.958 -4.086 -4.212 -4.338 -4.463 -4.587 -4.710 -4.832 -4.954 -5.074 -5.195 -5.314 6.523 5.479 4.569 3.757 3.025 2.358 1.747 1.182 0.657 0.166 -0.296 -0.732 -1.146 -1.541 -1.918 -2.628 -2.763 -2.897 -3.029 -3.160 -3.289 -3.416 -3.542 -3.667 -3.790 -3.912 -4.033 -4.153 -4.271 -4.389 -4.506 -4.622 -4.738 -4.852 -4.966 -5.079 6.613 5.550 4.630 3.814 3.079 2.412 1.801 1.237 0.714 0.227 -0.231 -0.662 -1.070 -1.458 -1.828 -2.522 -2.655 -2.785 -2.914 -3.040 -3.165 -3.289 -3.411 -3.531 -3.651 -3.768 -3.885 -4.000 -4.115 -4.228 -4.340 -4.452 -4.562 -4.672 -4.781 -4.889 6.697 5.615 4.686 3.865 3.128 2.460 1.849 1.287 0.766 0.280 -0.174 -0.601 -1.004 -1.387 -1.751 -2.432 -2.561 -2.689 -2.814 -2.938 -3.060 -3.181 -3.300 -3.417 -3.533 -3.647 -3.760 -3.872 -3.983 -4.093 -4.202 -4.309 -4.416 -4.522 -4.627 -4.731 6.776 5.675 4.737 3.911 3.172 2.503 1.892 1.331 0.811 0.328 -0.123 -0.546 -0.946 -1.324 -1.683 -2.353 -2.480 -2.605 -2.729 -2.850 -2.969 -3.087 -3.203 -3.318 -3.431 -3.543 -3.654 -3.763 -3.871 -3.978 -4.083 -4.188 -4.292 -4.395 -4.497 -4.598 99999.999 5.731 4.784 3.954 3.212 2.542 1.932 1.371 0.853 0.372 -0.077 -0.498 -0.894 -1.268 -1.623 -2.284 -2.409 -2.532 -2.653 -2.772 -2.890 -3.006 -3.120 -3.232 -3.343 -3.453 -3.561 -3.668 -3.773 -3.878 -3.981 -4.084 -4.185 -4.285 -4.385 -4.484 HSO3- HSO3(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 3 1.000 1 1.000 4 -0.500 31 43.774 39.419 35.603 32.242 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.774 39.419 35.603 32.242 29.257 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.775 39.420 35.604 32.243 29.258 26.581 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.777 39.421 35.605 32.245 29.259 26.582 24.159 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.780 39.424 35.607 32.247 29.262 26.585 24.162 21.948 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.784 39.428 35.611 32.251 29.265 26.588 24.165 21.952 19.912 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.791 39.434 35.617 32.256 29.270 26.594 24.171 21.958 19.919 18.018 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.801 39.443 35.625 32.264 29.278 26.601 24.179 21.967 19.928 18.028 16.235 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.814 39.455 35.636 32.275 29.289 26.612 24.190 21.978 19.940 18.043 16.252 14.532 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.832 39.471 35.651 32.289 29.303 26.626 24.204 21.994 19.957 18.062 16.275 14.563 12.880 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.855 39.492 35.671 32.308 29.321 26.644 24.223 22.013 19.979 18.086 16.305 14.602 12.935 11.234 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.885 39.518 35.696 32.331 29.344 26.668 24.247 22.039 20.006 18.117 16.342 14.649 13.002 11.343 9.489 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.908 39.539 35.715 32.350 29.362 26.685 24.265 22.058 20.027 18.141 16.370 14.685 13.051 11.418 9.645 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.941 39.568 35.742 32.376 29.388 26.711 24.291 22.085 20.056 18.173 16.408 14.733 13.117 11.517 9.825 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.973 39.597 35.769 32.401 29.413 26.736 24.317 22.112 20.085 18.205 16.446 14.780 13.179 11.606 9.975 6.450 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.005 39.626 35.796 32.427 29.437 26.760 24.342 22.138 20.113 18.236 16.482 14.824 13.237 11.688 10.107 7.225 6.344 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.037 39.654 35.822 32.452 29.462 26.785 24.366 22.164 20.140 18.267 16.516 14.866 13.291 11.763 10.224 7.474 6.804 6.030 5.055 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.068 39.682 35.848 32.477 29.486 26.809 24.391 22.189 20.167 18.296 16.550 14.906 13.342 11.832 10.329 7.637 7.033 6.390 5.676 4.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.100 39.710 35.874 32.501 29.510 26.832 24.415 22.214 20.194 18.325 16.583 14.945 13.390 11.896 10.423 7.763 7.193 6.604 5.983 5.313 4.572 3.742 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.130 39.737 35.899 32.525 29.533 26.855 24.438 22.238 20.219 18.353 16.614 14.982 13.436 11.955 10.508 7.869 7.321 6.762 6.187 5.586 4.950 4.266 3.527 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.161 39.765 35.924 32.549 29.556 26.878 24.461 22.262 20.245 18.380 16.645 15.017 13.479 12.010 10.585 7.962 7.428 6.889 6.341 5.780 5.199 4.592 3.951 3.274 2.562 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.191 39.791 35.949 32.573 29.579 26.901 24.484 22.286 20.270 18.407 16.675 15.051 13.519 12.061 10.654 8.044 7.522 6.997 6.468 5.932 5.384 4.822 4.239 3.634 3.005 2.353 1.683 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.221 39.818 35.974 32.596 29.602 26.923 24.507 22.309 20.294 18.433 16.704 15.084 13.558 12.109 10.717 8.119 7.606 7.092 6.577 6.059 5.533 5.000 4.454 3.895 3.320 2.729 2.124 1.508 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.251 39.845 35.998 32.619 29.624 26.945 24.529 22.332 20.318 18.459 16.732 15.116 13.595 12.153 10.774 8.188 7.682 7.178 6.673 6.168 5.659 5.146 4.625 4.096 3.558 3.009 2.450 1.883 1.311 0.738 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.281 39.871 36.022 32.642 29.646 26.967 24.551 22.354 20.342 18.484 16.759 15.147 13.630 12.194 10.825 8.253 7.753 7.255 6.760 6.265 5.769 5.270 4.768 4.261 3.748 3.229 2.703 2.172 1.637 1.101 0.566 99999.999 99999.999 99999.999 99999.999 99999.999 44.310 39.897 36.046 32.665 29.668 26.989 24.573 22.376 20.365 18.509 16.786 15.176 13.664 12.233 10.872 8.313 7.818 7.327 6.839 6.352 5.866 5.379 4.891 4.401 3.907 3.410 2.908 2.404 1.897 1.389 0.882 0.380 -0.116 99999.999 99999.999 99999.999 44.339 39.922 36.070 32.687 29.690 27.010 24.594 22.398 20.388 18.533 16.812 15.205 13.696 12.270 10.915 8.370 7.880 7.394 6.912 6.432 5.954 5.477 5.000 4.523 4.044 3.563 3.080 2.596 2.110 1.625 1.141 0.660 0.185 -0.283 99999.999 99999.999 44.368 39.948 36.094 32.709 29.711 27.031 24.615 22.420 20.410 18.557 16.838 15.233 13.727 12.305 10.956 8.424 7.938 7.456 6.979 6.506 6.035 5.566 5.098 4.631 4.163 3.696 3.228 2.759 2.291 1.823 1.357 0.894 0.436 -0.016 -0.460 -0.895 44.397 39.973 36.117 32.731 29.733 27.052 24.636 22.441 20.432 18.581 16.863 15.261 13.757 12.339 10.994 8.475 7.992 7.515 7.043 6.575 6.110 5.647 5.187 4.728 4.271 3.814 3.357 2.902 2.447 1.993 1.542 1.094 0.650 0.211 -0.221 -0.644 44.672 40.215 36.339 32.941 29.933 27.249 24.832 22.640 20.637 18.796 17.092 15.508 14.026 12.634 11.321 8.890 8.431 7.979 7.534 7.096 6.664 6.239 5.819 5.404 4.994 4.589 4.188 3.791 3.399 3.011 2.626 2.246 1.870 1.498 1.130 0.767 44.931 40.440 36.544 33.133 30.118 27.428 25.009 22.818 20.819 18.984 17.289 15.716 14.249 12.874 11.581 9.201 8.754 8.315 7.884 7.461 7.045 6.636 6.233 5.837 5.447 5.062 4.683 4.309 3.940 3.576 3.216 2.861 2.510 2.164 1.822 1.484 45.175 40.651 36.736 33.312 30.288 27.593 25.172 22.980 20.983 19.152 17.464 15.899 14.442 13.079 11.800 9.454 9.015 8.584 8.162 7.748 7.342 6.943 6.551 6.165 5.786 5.414 5.047 4.685 4.329 3.979 3.633 3.292 2.956 2.624 2.297 1.974 45.409 40.851 36.917 33.481 30.449 27.748 25.323 23.130 21.133 19.305 17.621 16.062 14.613 13.259 11.990 9.669 9.235 8.810 8.394 7.987 7.587 7.195 6.810 6.432 6.061 5.696 5.337 4.984 4.637 4.295 3.959 3.627 3.300 2.978 2.661 2.347 45.634 41.043 37.089 33.641 30.599 27.893 25.464 23.269 21.272 19.445 17.764 16.210 14.766 13.419 12.158 9.856 9.426 9.006 8.595 8.192 7.797 7.410 7.030 6.657 6.292 5.933 5.580 5.233 4.892 4.557 4.226 3.901 3.581 3.266 2.956 2.649 45.851 41.227 37.254 33.793 30.743 28.030 25.598 23.400 21.403 19.576 17.897 16.346 14.906 13.565 12.310 10.022 9.596 9.179 8.771 8.372 7.981 7.597 7.222 6.853 6.492 6.137 5.789 5.446 5.110 4.779 4.454 4.134 3.819 3.509 3.203 2.902 46.063 41.405 37.412 33.938 30.880 28.161 25.724 23.524 21.525 19.699 18.021 16.471 15.035 13.698 12.448 10.172 9.748 9.334 8.929 8.532 8.144 7.764 7.391 7.026 6.668 6.317 5.972 5.633 5.300 4.973 4.651 4.335 4.024 3.718 3.416 3.119 99999.999 41.577 37.565 34.078 31.011 28.286 25.845 23.642 21.642 19.815 18.137 16.589 15.155 13.821 12.574 10.308 9.886 9.474 9.072 8.677 8.292 7.914 7.544 7.181 6.826 6.477 6.135 5.799 5.469 5.144 4.826 4.513 4.204 3.901 3.603 3.309 HSO4- HSO4(-) P-T:All Charge =-1. Radius(Å) = 2.37 Alk. = 0.000 Ref: Shock07 2 1.000 1 1.000 4 -1.719 -1.979 -2.301 -2.646 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.719 -1.979 -2.301 -2.646 -3.000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.719 -1.979 -2.300 -2.645 -3.000 -3.360 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.708 -1.970 -2.292 -2.637 -2.992 -3.352 -3.716 -4.086 -4.464 -4.856 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.702 -1.964 -2.287 -2.633 -2.987 -3.347 -3.711 -4.080 -4.457 -4.849 -5.263 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.693 -1.957 -2.281 -2.626 -2.981 -3.340 -3.704 -4.072 -4.449 -4.838 -5.250 -5.700 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.681 -1.947 -2.272 -2.618 -2.972 -3.332 -3.694 -4.062 -4.437 -4.824 -5.233 -5.676 -6.180 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.666 -1.934 -2.260 -2.607 -2.961 -3.320 -3.682 -4.049 -4.422 -4.807 -5.210 -5.646 -6.135 -6.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.647 -1.918 -2.245 -2.592 -2.947 -3.306 -3.667 -4.032 -4.404 -4.785 -5.183 -5.609 -6.082 -6.637 -7.404 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.632 -1.906 -2.234 -2.582 -2.937 -3.295 -3.656 -4.020 -4.389 -4.768 -5.162 -5.582 -6.043 -6.576 -7.286 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.610 -1.888 -2.218 -2.566 -2.922 -3.280 -3.639 -4.002 -4.369 -4.745 -5.134 -5.545 -5.990 -6.496 -7.144 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.590 -1.871 -2.202 -2.551 -2.907 -3.265 -3.624 -3.985 -4.350 -4.722 -5.106 -5.509 -5.941 -6.424 -7.022 -8.237 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.569 -1.853 -2.187 -2.537 -2.892 -3.250 -3.608 -3.968 -4.331 -4.701 -5.080 -5.476 -5.896 -6.357 -6.913 -7.791 -8.178 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.549 -1.837 -2.171 -2.522 -2.878 -3.235 -3.593 -3.952 -4.313 -4.680 -5.055 -5.444 -5.853 -6.297 -6.816 -7.639 -7.903 -8.238 -8.726 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.529 -1.820 -2.157 -2.508 -2.864 -3.221 -3.578 -3.936 -4.296 -4.660 -5.031 -5.414 -5.813 -6.241 -6.730 -7.531 -7.758 -8.014 -8.321 -8.716 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.510 -1.804 -2.142 -2.494 -2.851 -3.207 -3.564 -3.920 -4.278 -4.640 -5.008 -5.385 -5.776 -6.190 -6.652 -7.444 -7.650 -7.874 -8.123 -8.410 -8.756 -9.179 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.490 -1.788 -2.128 -2.481 -2.837 -3.194 -3.549 -3.905 -4.261 -4.621 -4.985 -5.358 -5.741 -6.143 -6.582 -7.368 -7.562 -7.767 -7.987 -8.230 -8.502 -8.815 -9.178 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.471 -1.772 -2.113 -2.467 -2.824 -3.180 -3.536 -3.890 -4.245 -4.602 -4.964 -5.332 -5.708 -6.099 -6.519 -7.301 -7.485 -7.678 -7.881 -8.098 -8.334 -8.593 -8.882 -9.205 -9.564 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.453 -1.757 -2.100 -2.454 -2.811 -3.167 -3.522 -3.875 -4.229 -4.584 -4.943 -5.307 -5.678 -6.059 -6.463 -7.241 -7.417 -7.600 -7.792 -7.993 -8.206 -8.435 -8.683 -8.953 -9.246 -9.564 -9.903 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.434 -1.742 -2.086 -2.441 -2.799 -3.155 -3.509 -3.861 -4.214 -4.567 -4.923 -5.283 -5.649 -6.023 -6.413 -7.185 -7.356 -7.531 -7.713 -7.903 -8.102 -8.312 -8.534 -8.771 -9.024 -9.295 -9.582 -9.882 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.416 -1.727 -2.072 -2.429 -2.786 -3.142 -3.496 -3.847 -4.198 -4.550 -4.904 -5.260 -5.621 -5.989 -6.368 -7.134 -7.299 -7.469 -7.644 -7.824 -8.012 -8.208 -8.413 -8.629 -8.856 -9.096 -9.347 -9.610 -9.881 -10.159 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.398 -1.712 -2.059 -2.416 -2.774 -3.130 -3.483 -3.834 -4.183 -4.533 -4.885 -5.238 -5.595 -5.958 -6.328 -7.086 -7.246 -7.411 -7.580 -7.754 -7.933 -8.119 -8.312 -8.512 -8.721 -8.939 -9.167 -9.402 -9.645 -9.893 -10.144 99999.999 99999.999 99999.999 99999.999 99999.999 -1.381 -1.698 -2.046 -2.404 -2.762 -3.118 -3.470 -3.820 -4.169 -4.517 -4.867 -5.217 -5.571 -5.928 -6.292 -7.040 -7.197 -7.358 -7.522 -7.690 -7.862 -8.040 -8.223 -8.412 -8.608 -8.811 -9.020 -9.236 -9.458 -9.684 -9.913 -10.143 -10.371 99999.999 99999.999 99999.999 -1.363 -1.683 -2.033 -2.392 -2.750 -3.106 -3.458 -3.807 -4.155 -4.502 -4.849 -5.197 -5.548 -5.901 -6.259 -6.998 -7.151 -7.308 -7.467 -7.630 -7.797 -7.968 -8.143 -8.324 -8.509 -8.700 -8.897 -9.098 -9.304 -9.514 -9.726 -9.939 -10.151 -10.361 99999.999 99999.999 -1.346 -1.669 -2.021 -2.380 -2.739 -3.094 -3.446 -3.795 -4.141 -4.486 -4.832 -5.178 -5.525 -5.875 -6.229 -6.957 -7.108 -7.261 -7.417 -7.575 -7.737 -7.902 -8.072 -8.245 -8.422 -8.604 -8.790 -8.980 -9.174 -9.370 -9.569 -9.769 -9.969 -10.166 -10.361 -10.551 -1.329 -1.655 -2.009 -2.368 -2.727 -3.083 -3.434 -3.782 -4.127 -4.471 -4.815 -5.159 -5.504 -5.851 -6.201 -6.919 -7.067 -7.217 -7.369 -7.524 -7.681 -7.842 -8.006 -8.173 -8.344 -8.518 -8.696 -8.877 -9.061 -9.247 -9.435 -9.625 -9.814 -10.002 -10.187 -10.369 -1.170 -1.527 -1.894 -2.261 -2.623 -2.979 -3.327 -3.669 -4.006 -4.338 -4.667 -4.993 -5.318 -5.641 -5.963 -6.608 -6.738 -6.868 -6.999 -7.130 -7.263 -7.396 -7.530 -7.664 -7.800 -7.937 -8.074 -8.213 -8.352 -8.492 -8.633 -8.774 -8.915 -9.057 -9.198 -9.339 -1.030 -1.415 -1.795 -2.169 -2.534 -2.890 -3.236 -3.574 -3.904 -4.228 -4.547 -4.861 -5.170 -5.477 -5.780 -6.381 -6.500 -6.619 -6.738 -6.858 -6.977 -7.097 -7.216 -7.336 -7.456 -7.576 -7.697 -7.818 -7.939 -8.061 -8.182 -8.304 -8.427 -8.549 -8.671 -8.794 -0.903 -1.315 -1.708 -2.089 -2.457 -2.813 -3.158 -3.493 -3.819 -4.136 -4.446 -4.751 -5.049 -5.343 -5.633 -6.201 -6.314 -6.426 -6.537 -6.648 -6.759 -6.870 -6.981 -7.091 -7.201 -7.312 -7.422 -7.532 -7.643 -7.753 -7.863 -7.974 -8.084 -8.195 -8.305 -8.416 -0.787 -1.226 -1.631 -2.018 -2.389 -2.746 -3.091 -3.423 -3.745 -4.057 -4.361 -4.658 -4.948 -5.232 -5.511 -6.055 -6.162 -6.268 -6.374 -6.479 -6.584 -6.689 -6.793 -6.897 -7.000 -7.103 -7.206 -7.309 -7.412 -7.515 -7.617 -7.720 -7.822 -7.924 -8.026 -8.129 -0.680 -1.145 -1.563 -1.955 -2.330 -2.688 -3.031 -3.362 -3.681 -3.989 -4.288 -4.578 -4.861 -5.137 -5.407 -5.932 -6.034 -6.136 -6.238 -6.338 -6.439 -6.538 -6.638 -6.736 -6.835 -6.933 -7.031 -7.128 -7.225 -7.322 -7.419 -7.515 -7.612 -7.708 -7.804 -7.900 -0.580 -1.071 -1.501 -1.900 -2.277 -2.636 -2.979 -3.308 -3.625 -3.930 -4.224 -4.509 -4.786 -5.056 -5.318 -5.827 -5.926 -6.024 -6.122 -6.219 -6.316 -6.412 -6.507 -6.602 -6.696 -6.790 -6.883 -6.977 -7.069 -7.162 -7.254 -7.346 -7.438 -7.529 -7.620 -7.712 -0.487 -1.003 -1.445 -1.849 -2.229 -2.589 -2.933 -3.261 -3.575 -3.877 -4.168 -4.449 -4.721 -4.985 -5.241 -5.736 -5.832 -5.928 -6.023 -6.117 -6.210 -6.303 -6.395 -6.486 -6.577 -6.668 -6.758 -6.848 -6.937 -7.026 -7.114 -7.203 -7.291 -7.379 -7.466 -7.554 99999.999 -0.940 -1.394 -1.804 -2.187 -2.548 -2.891 -3.218 -3.531 -3.830 -4.118 -4.396 -4.663 -4.922 -5.174 -5.657 -5.751 -5.844 -5.936 -6.028 -6.118 -6.208 -6.298 -6.387 -6.475 -6.563 -6.650 -6.737 -6.823 -6.909 -6.995 -7.080 -7.165 -7.250 -7.335 -7.419 HSO5- HSO5(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 3 1.250 1 1.250 4 -0.250 6 57.483 51.866 46.952 42.635 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.483 51.866 46.952 42.635 38.808 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.484 51.867 46.953 42.636 38.809 35.386 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.486 51.868 46.955 42.637 38.810 35.387 32.297 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.489 51.871 46.957 42.640 38.813 35.390 32.300 29.484 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.494 51.876 46.961 42.644 38.817 35.394 32.304 29.489 26.901 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.502 51.882 46.968 42.649 38.823 35.400 32.310 29.495 26.908 24.504 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.513 51.892 46.977 42.658 38.831 35.408 32.318 29.505 26.918 24.516 22.256 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.528 51.905 46.989 42.670 38.842 35.420 32.330 29.517 26.932 24.532 22.276 20.118 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.548 51.923 47.005 42.685 38.858 35.435 32.346 29.534 26.951 24.554 22.302 20.153 18.051 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.574 51.945 47.026 42.705 38.877 35.455 32.367 29.556 26.975 24.581 22.336 20.197 18.115 16.009 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.607 51.975 47.053 42.731 38.902 35.480 32.393 29.584 27.005 24.616 22.378 20.252 18.193 16.133 13.871 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.633 51.997 47.074 42.751 38.922 35.499 32.413 29.605 27.028 24.642 22.409 20.292 18.249 16.220 14.043 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.669 52.029 47.103 42.778 38.949 35.526 32.441 29.635 27.061 24.679 22.453 20.348 18.326 16.334 14.247 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.705 52.060 47.132 42.806 38.976 35.553 32.468 29.664 27.092 24.715 22.495 20.401 18.397 16.438 14.421 10.355 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.740 52.091 47.160 42.833 39.002 35.580 32.495 29.692 27.123 24.749 22.536 20.451 18.463 16.533 14.574 11.129 10.131 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.775 52.121 47.188 42.859 39.028 35.606 32.522 29.720 27.153 24.783 22.575 20.499 18.526 16.620 14.710 11.380 10.595 9.703 8.588 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.809 52.151 47.215 42.885 39.053 35.631 32.548 29.747 27.183 24.815 22.612 20.544 18.584 16.700 14.833 11.550 10.830 10.072 9.241 8.286 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.843 52.180 47.242 42.911 39.078 35.656 32.574 29.774 27.211 24.847 22.648 20.588 18.639 16.774 14.943 11.685 10.999 10.294 9.560 8.774 7.909 6.942 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.876 52.209 47.269 42.936 39.103 35.680 32.599 29.800 27.239 24.878 22.684 20.630 18.691 16.842 15.042 11.800 11.135 10.461 9.773 9.060 8.310 7.508 6.641 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.909 52.238 47.296 42.961 39.127 35.705 32.623 29.826 27.267 24.908 22.718 20.670 18.740 16.905 15.132 11.901 11.251 10.597 9.937 9.265 8.573 7.854 7.099 6.303 5.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.942 52.266 47.321 42.986 39.151 35.728 32.647 29.851 27.294 24.937 22.751 20.708 18.786 16.964 15.212 11.992 11.353 10.715 10.074 9.427 8.771 8.099 7.408 6.692 5.949 5.179 4.387 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.974 52.294 47.347 43.010 39.175 35.752 32.671 29.876 27.320 24.966 22.783 20.745 18.830 17.018 15.284 12.075 11.445 10.819 10.192 9.564 8.931 8.290 7.638 6.972 6.290 5.590 4.873 4.144 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.006 52.322 47.372 43.034 39.198 35.775 32.695 29.900 27.346 24.994 22.814 20.780 18.871 17.068 15.349 12.151 11.530 10.912 10.297 9.683 9.067 8.447 7.822 7.189 6.547 5.894 5.230 4.557 3.879 3.198 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.038 52.349 47.397 43.058 39.221 35.798 32.718 29.924 27.371 25.021 22.844 20.814 18.911 17.115 15.408 12.223 11.608 10.998 10.392 9.789 9.186 8.582 7.977 7.367 6.753 6.132 5.506 4.873 4.237 3.600 2.964 99999.999 99999.999 99999.999 99999.999 99999.999 58.069 52.376 47.422 43.081 39.243 35.820 32.740 29.948 27.396 25.048 22.874 20.847 18.949 17.159 15.461 12.290 11.681 11.078 10.479 9.885 9.293 8.702 8.111 7.519 6.925 6.328 5.728 5.126 4.521 3.917 3.314 2.716 2.125 99999.999 99999.999 99999.999 58.099 52.403 47.446 43.104 39.266 35.842 32.763 29.971 27.420 25.074 22.902 20.879 18.985 17.200 15.510 12.354 11.749 11.152 10.560 9.973 9.390 8.809 8.230 7.652 7.073 6.495 5.915 5.335 4.754 4.175 3.598 3.024 2.458 1.900 99999.999 99999.999 58.130 52.429 47.470 43.127 39.288 35.864 32.785 29.994 27.444 25.100 22.930 20.910 19.019 17.240 15.555 12.414 11.814 11.222 10.635 10.055 9.479 8.907 8.337 7.770 7.204 6.640 6.076 5.513 4.951 4.391 3.834 3.281 2.734 2.195 1.665 1.147 58.160 52.455 47.494 43.149 39.309 35.885 32.806 30.016 27.468 25.125 22.958 20.940 19.053 17.277 15.598 12.471 11.875 11.287 10.706 10.131 9.562 8.997 8.435 7.877 7.322 6.769 6.218 5.669 5.122 4.577 4.036 3.500 2.969 2.445 1.929 1.424 58.443 52.699 47.716 43.359 39.511 36.085 33.007 30.221 27.683 25.353 23.204 21.208 19.347 17.603 15.962 12.936 12.366 11.806 11.256 10.714 10.181 9.657 9.139 8.629 8.126 7.629 7.138 6.653 6.174 5.700 5.232 4.769 4.312 3.860 3.414 2.974 58.700 52.919 47.916 43.546 39.691 36.261 33.183 30.401 27.868 25.548 23.410 21.431 19.588 17.865 16.248 13.282 12.726 12.181 11.647 11.122 10.607 10.101 9.604 9.115 8.634 8.160 7.693 7.233 6.780 6.333 5.892 5.458 5.029 4.605 4.187 3.775 58.936 53.119 48.098 43.716 39.854 36.420 33.340 30.560 28.031 25.718 23.589 21.620 19.791 18.084 16.484 13.560 13.013 12.478 11.954 11.441 10.937 10.443 9.958 9.481 9.013 8.553 8.101 7.656 7.218 6.786 6.361 5.943 5.530 5.123 4.722 4.326 59.155 53.304 48.264 43.871 40.002 36.564 33.483 30.703 28.177 25.868 23.746 21.786 19.967 18.272 16.685 13.792 13.252 12.725 12.208 11.702 11.206 10.721 10.244 9.777 9.318 8.867 8.424 7.989 7.561 7.140 6.726 6.318 5.917 5.521 5.131 4.747 59.361 53.477 48.418 44.014 40.138 36.696 33.613 30.833 28.309 26.004 23.887 21.934 20.122 18.436 16.860 13.991 13.457 12.935 12.424 11.924 11.434 10.955 10.485 10.024 9.572 9.128 8.692 8.264 7.844 7.431 7.024 6.624 6.231 5.843 5.462 5.086 59.555 53.638 48.562 44.147 40.265 36.818 33.733 30.953 28.429 26.127 24.014 22.066 20.261 18.582 17.015 14.165 13.635 13.118 12.611 12.116 11.631 11.156 10.691 10.235 9.788 9.350 8.920 8.498 8.083 7.675 7.275 6.881 6.493 6.112 5.737 5.367 59.740 53.791 48.697 44.271 40.382 36.932 33.845 31.063 28.541 26.240 24.130 22.186 20.386 18.714 17.153 14.320 13.793 13.279 12.776 12.284 11.803 11.333 10.872 10.420 9.977 9.543 9.117 8.699 8.289 7.886 7.490 7.101 6.718 6.342 5.971 5.607 99999.999 53.936 48.824 44.388 40.492 37.038 33.948 31.166 28.644 26.344 24.236 22.295 20.500 18.833 17.278 14.458 13.934 13.423 12.923 12.435 11.957 11.489 11.031 10.583 10.144 9.713 9.291 8.876 8.470 8.070 7.678 7.293 6.914 6.541 6.174 5.814 HSO5- HSO5(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 3 1.000 1 1.000 4 0.500 31 19.458 17.286 15.343 13.606 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.458 17.287 15.343 13.606 12.046 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.459 17.287 15.343 13.607 12.046 10.631 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.460 17.288 15.344 13.608 12.047 10.632 9.337 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.462 17.290 15.345 13.609 12.049 10.634 9.338 8.140 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.465 17.292 15.348 13.611 12.051 10.636 9.341 8.143 7.023 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.469 17.296 15.351 13.614 12.054 10.639 9.344 8.147 7.028 5.968 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.476 17.301 15.356 13.619 12.059 10.644 9.349 8.152 7.034 5.976 4.957 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.485 17.309 15.362 13.625 12.065 10.651 9.356 8.160 7.043 5.986 4.970 3.970 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.497 17.318 15.371 13.634 12.073 10.659 9.365 8.170 7.055 6.000 4.988 3.994 2.988 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.512 17.331 15.383 13.645 12.084 10.670 9.377 8.183 7.070 6.018 5.010 4.025 3.033 1.988 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.531 17.347 15.397 13.658 12.098 10.684 9.392 8.200 7.088 6.040 5.038 4.062 3.087 2.073 0.904 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.546 17.359 15.408 13.669 12.108 10.695 9.404 8.212 7.103 6.057 5.059 4.090 3.127 2.134 1.009 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.567 17.376 15.424 13.684 12.123 10.710 9.420 8.230 7.122 6.081 5.088 4.128 3.181 2.215 1.145 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.588 17.393 15.439 13.698 12.137 10.725 9.435 8.247 7.142 6.103 5.116 4.165 3.231 2.289 1.267 -0.314 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.608 17.410 15.454 13.712 12.151 10.739 9.450 8.264 7.160 6.125 5.142 4.199 3.278 2.357 1.377 -0.076 -0.494 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.628 17.426 15.468 13.726 12.164 10.753 9.465 8.280 7.178 6.146 5.168 4.231 3.321 2.420 1.476 0.019 -0.333 -0.729 -1.253 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.647 17.441 15.482 13.739 12.178 10.766 9.479 8.295 7.196 6.166 5.192 4.262 3.362 2.477 1.566 0.099 -0.235 -0.582 -0.964 -1.418 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.666 17.457 15.496 13.752 12.191 10.780 9.493 8.310 7.213 6.186 5.216 4.291 3.400 2.529 1.646 0.170 -0.153 -0.483 -0.825 -1.194 -1.611 -2.099 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.684 17.472 15.509 13.765 12.203 10.793 9.507 8.325 7.229 6.205 5.238 4.319 3.436 2.578 1.719 0.234 -0.081 -0.400 -0.724 -1.061 -1.419 -1.809 -2.245 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.702 17.486 15.522 13.778 12.216 10.805 9.520 8.340 7.245 6.223 5.260 4.345 3.469 2.622 1.783 0.293 -0.016 -0.326 -0.640 -0.960 -1.291 -1.637 -2.007 -2.407 -2.840 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.720 17.501 15.535 13.790 12.228 10.817 9.533 8.354 7.261 6.241 5.280 4.370 3.501 2.663 1.841 0.347 0.044 -0.260 -0.566 -0.875 -1.190 -1.514 -1.849 -2.202 -2.574 -2.969 -3.383 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.737 17.515 15.548 13.802 12.239 10.829 9.546 8.367 7.276 6.258 5.300 4.394 3.530 2.700 1.892 0.398 0.099 -0.200 -0.499 -0.800 -1.105 -1.414 -1.730 -2.055 -2.392 -2.743 -3.107 -3.484 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.754 17.529 15.560 13.813 12.251 10.841 9.558 8.381 7.291 6.275 5.320 4.417 3.557 2.734 1.937 0.446 0.151 -0.143 -0.438 -0.733 -1.029 -1.328 -1.631 -1.940 -2.255 -2.578 -2.910 -3.251 -3.598 -3.950 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.771 17.542 15.572 13.825 12.262 10.853 9.570 8.394 7.305 6.291 5.338 4.438 3.583 2.766 1.978 0.491 0.199 -0.091 -0.381 -0.670 -0.960 -1.252 -1.546 -1.843 -2.143 -2.449 -2.759 -3.075 -3.396 -3.719 -4.044 99999.999 99999.999 99999.999 99999.999 99999.999 19.787 17.555 15.584 13.836 12.273 10.864 9.582 8.407 7.319 6.307 5.356 4.459 3.608 2.795 2.014 0.534 0.245 -0.042 -0.327 -0.613 -0.898 -1.183 -1.470 -1.758 -2.048 -2.341 -2.637 -2.936 -3.237 -3.540 -3.844 -4.147 -4.447 99999.999 99999.999 99999.999 19.803 17.568 15.596 13.847 12.284 10.875 9.594 8.419 7.333 6.322 5.374 4.479 3.631 2.822 2.047 0.575 0.289 0.005 -0.277 -0.559 -0.839 -1.120 -1.400 -1.681 -1.964 -2.247 -2.533 -2.819 -3.107 -3.396 -3.684 -3.971 -4.256 -4.536 99999.999 99999.999 19.819 17.581 15.607 13.857 12.294 10.885 9.605 8.431 7.346 6.337 5.391 4.499 3.653 2.848 2.076 0.613 0.330 0.049 -0.230 -0.508 -0.785 -1.061 -1.336 -1.612 -1.888 -2.164 -2.441 -2.719 -2.996 -3.274 -3.551 -3.826 -4.099 -4.368 -4.632 -4.890 19.835 17.593 15.618 13.868 12.304 10.896 9.616 8.443 7.359 6.351 5.407 4.517 3.674 2.872 2.104 0.651 0.370 0.091 -0.185 -0.460 -0.733 -1.005 -1.277 -1.548 -1.818 -2.089 -2.359 -2.630 -2.899 -3.169 -3.437 -3.703 -3.967 -4.227 -4.483 -4.733 19.974 17.704 15.716 13.961 12.396 10.989 9.713 8.547 7.474 6.479 5.550 4.679 3.857 3.079 2.339 0.954 0.689 0.429 0.171 -0.083 -0.334 -0.583 -0.829 -1.073 -1.315 -1.554 -1.792 -2.027 -2.261 -2.492 -2.722 -2.950 -3.175 -3.398 -3.619 -3.837 20.090 17.795 15.797 14.036 12.469 11.064 9.791 8.631 7.565 6.580 5.663 4.806 4.000 3.239 2.518 1.178 0.923 0.673 0.427 0.184 -0.055 -0.291 -0.524 -0.754 -0.981 -1.206 -1.428 -1.647 -1.865 -2.080 -2.293 -2.504 -2.713 -2.920 -3.125 -3.328 20.187 17.870 15.862 14.097 12.530 11.125 9.855 8.699 7.640 6.662 5.755 4.908 4.115 3.367 2.661 1.353 1.106 0.863 0.625 0.390 0.159 -0.068 -0.292 -0.513 -0.731 -0.946 -1.158 -1.367 -1.574 -1.779 -1.981 -2.181 -2.379 -2.575 -2.769 -2.962 20.269 17.932 15.915 14.147 12.578 11.174 9.907 8.755 7.701 6.729 5.830 4.992 4.208 3.472 2.777 1.495 1.254 1.017 0.784 0.556 0.331 0.110 -0.108 -0.322 -0.533 -0.741 -0.945 -1.148 -1.347 -1.544 -1.739 -1.931 -2.121 -2.309 -2.495 -2.679 20.340 17.984 15.959 14.187 12.618 11.215 9.950 8.801 7.751 6.785 5.892 5.062 4.286 3.559 2.874 1.613 1.376 1.144 0.916 0.692 0.472 0.256 0.044 -0.165 -0.371 -0.573 -0.773 -0.969 -1.163 -1.354 -1.543 -1.729 -1.913 -2.095 -2.274 -2.452 20.401 18.026 15.994 14.219 12.650 11.248 9.985 8.839 7.792 6.831 5.943 5.119 4.351 3.631 2.955 1.711 1.478 1.250 1.026 0.806 0.590 0.378 0.170 -0.035 -0.236 -0.434 -0.629 -0.821 -1.010 -1.197 -1.381 -1.562 -1.741 -1.918 -2.093 -2.266 20.453 18.061 16.022 14.244 12.675 11.274 10.013 8.870 7.826 6.869 5.986 5.168 4.405 3.692 3.023 1.795 1.565 1.340 1.119 0.902 0.690 0.481 0.277 0.076 -0.122 -0.317 -0.508 -0.696 -0.882 -1.065 -1.245 -1.422 -1.598 -1.771 -1.942 -2.110 99999.999 18.090 16.043 14.264 12.694 11.294 10.035 8.894 7.854 6.901 6.022 5.208 4.451 3.744 3.080 1.866 1.639 1.416 1.198 0.985 0.775 0.570 0.368 0.170 -0.025 -0.217 -0.405 -0.590 -0.772 -0.952 -1.129 -1.304 -1.476 -1.645 -1.813 -1.979 S2O3-2 S2O3(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 1.000 1 1.000 6 1.000 4 -1.000 2 -5.022 -4.778 -4.641 -4.578 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.022 -4.778 -4.641 -4.578 -4.571 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.022 -4.777 -4.641 -4.578 -4.570 -4.607 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.021 -4.777 -4.640 -4.578 -4.570 -4.607 -4.681 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.020 -4.776 -4.640 -4.577 -4.569 -4.606 -4.680 -4.789 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.018 -4.774 -4.638 -4.575 -4.567 -4.604 -4.678 -4.787 -4.928 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.016 -4.772 -4.636 -4.573 -4.565 -4.602 -4.676 -4.784 -4.925 -5.100 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.012 -4.769 -4.633 -4.570 -4.562 -4.598 -4.672 -4.779 -4.919 -5.093 -5.308 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.007 -4.765 -4.629 -4.566 -4.558 -4.594 -4.667 -4.773 -4.912 -5.084 -5.296 -5.560 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.001 -4.759 -4.624 -4.561 -4.552 -4.587 -4.660 -4.765 -4.903 -5.072 -5.280 -5.538 -5.866 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.992 -4.752 -4.617 -4.554 -4.545 -4.580 -4.651 -4.755 -4.890 -5.057 -5.261 -5.510 -5.825 -6.245 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.982 -4.743 -4.609 -4.545 -4.536 -4.570 -4.640 -4.742 -4.875 -5.038 -5.236 -5.477 -5.775 -6.164 -6.764 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.974 -4.736 -4.602 -4.539 -4.529 -4.562 -4.631 -4.733 -4.863 -5.024 -5.218 -5.452 -5.739 -6.107 -6.652 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.964 -4.727 -4.593 -4.530 -4.520 -4.552 -4.620 -4.719 -4.847 -5.005 -5.193 -5.418 -5.691 -6.032 -6.518 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.954 -4.718 -4.585 -4.521 -4.511 -4.542 -4.608 -4.706 -4.832 -4.986 -5.169 -5.387 -5.646 -5.965 -6.403 -7.376 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.944 -4.710 -4.577 -4.513 -4.502 -4.532 -4.597 -4.693 -4.817 -4.968 -5.147 -5.357 -5.604 -5.903 -6.302 -6.940 -7.275 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.935 -4.702 -4.569 -4.505 -4.493 -4.523 -4.587 -4.681 -4.803 -4.951 -5.125 -5.328 -5.565 -5.847 -6.211 -6.789 -7.004 -7.289 -7.717 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.926 -4.694 -4.561 -4.497 -4.485 -4.514 -4.577 -4.669 -4.789 -4.934 -5.104 -5.301 -5.529 -5.796 -6.130 -6.682 -6.860 -7.068 -7.327 -7.668 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.917 -4.687 -4.554 -4.490 -4.477 -4.505 -4.567 -4.658 -4.775 -4.918 -5.084 -5.276 -5.495 -5.748 -6.058 -6.596 -6.754 -6.930 -7.132 -7.372 -7.667 -8.034 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.910 -4.680 -4.547 -4.483 -4.470 -4.497 -4.557 -4.647 -4.763 -4.902 -5.065 -5.252 -5.464 -5.705 -5.993 -6.523 -6.667 -6.825 -6.999 -7.195 -7.420 -7.685 -7.997 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.902 -4.673 -4.541 -4.476 -4.462 -4.489 -4.548 -4.636 -4.750 -4.887 -5.047 -5.229 -5.434 -5.665 -5.935 -6.458 -6.593 -6.737 -6.894 -7.066 -7.256 -7.469 -7.712 -7.986 -8.294 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.895 -4.667 -4.535 -4.470 -4.455 -4.481 -4.539 -4.626 -4.738 -4.873 -5.030 -5.208 -5.407 -5.629 -5.883 -6.399 -6.527 -6.662 -6.806 -6.962 -7.130 -7.315 -7.518 -7.742 -7.990 -8.261 -8.551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.888 -4.661 -4.529 -4.463 -4.448 -4.473 -4.531 -4.616 -4.726 -4.859 -5.013 -5.187 -5.381 -5.596 -5.837 -6.346 -6.467 -6.595 -6.730 -6.874 -7.028 -7.193 -7.372 -7.565 -7.775 -8.002 -8.244 -8.499 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.882 -4.655 -4.523 -4.457 -4.442 -4.466 -4.522 -4.606 -4.715 -4.846 -4.997 -5.168 -5.357 -5.565 -5.796 -6.296 -6.412 -6.534 -6.662 -6.797 -6.940 -7.092 -7.254 -7.427 -7.612 -7.809 -8.018 -8.238 -8.467 -8.701 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.876 -4.650 -4.517 -4.452 -4.436 -4.459 -4.514 -4.597 -4.704 -4.833 -4.981 -5.149 -5.334 -5.536 -5.759 -6.250 -6.362 -6.478 -6.600 -6.728 -6.863 -7.005 -7.154 -7.312 -7.480 -7.656 -7.842 -8.037 -8.239 -8.446 -8.657 99999.999 99999.999 99999.999 99999.999 99999.999 -4.870 -4.644 -4.512 -4.446 -4.430 -4.452 -4.506 -4.588 -4.693 -4.820 -4.967 -5.131 -5.312 -5.510 -5.725 -6.207 -6.315 -6.427 -6.544 -6.666 -6.793 -6.927 -7.067 -7.214 -7.368 -7.530 -7.699 -7.875 -8.057 -8.244 -8.434 -8.626 -8.816 99999.999 99999.999 99999.999 -4.865 -4.640 -4.507 -4.441 -4.424 -4.446 -4.499 -4.579 -4.683 -4.808 -4.952 -5.114 -5.292 -5.486 -5.695 -6.166 -6.271 -6.379 -6.491 -6.608 -6.730 -6.857 -6.990 -7.128 -7.272 -7.422 -7.579 -7.741 -7.907 -8.079 -8.253 -8.428 -8.604 -8.778 99999.999 99999.999 -4.860 -4.635 -4.503 -4.436 -4.418 -4.439 -4.492 -4.571 -4.673 -4.796 -4.938 -5.097 -5.273 -5.463 -5.668 -6.128 -6.229 -6.334 -6.443 -6.555 -6.672 -6.793 -6.920 -7.051 -7.187 -7.328 -7.474 -7.625 -7.780 -7.939 -8.100 -8.264 -8.427 -8.589 -8.749 -8.905 -4.856 -4.631 -4.498 -4.431 -4.413 -4.433 -4.485 -4.563 -4.664 -4.785 -4.925 -5.082 -5.254 -5.441 -5.642 -6.091 -6.190 -6.292 -6.397 -6.506 -6.618 -6.735 -6.855 -6.980 -7.110 -7.244 -7.382 -7.524 -7.670 -7.818 -7.970 -8.123 -8.276 -8.429 -8.580 -8.728 -4.827 -4.601 -4.466 -4.395 -4.371 -4.384 -4.427 -4.494 -4.582 -4.689 -4.811 -4.948 -5.097 -5.258 -5.429 -5.802 -5.882 -5.963 -6.046 -6.131 -6.218 -6.306 -6.397 -6.489 -6.583 -6.679 -6.777 -6.876 -6.978 -7.080 -7.184 -7.289 -7.395 -7.502 -7.609 -7.717 -4.823 -4.593 -4.452 -4.375 -4.346 -4.352 -4.387 -4.445 -4.523 -4.617 -4.726 -4.847 -4.979 -5.121 -5.272 -5.597 -5.665 -5.735 -5.806 -5.878 -5.951 -6.026 -6.102 -6.178 -6.256 -6.336 -6.416 -6.497 -6.580 -6.664 -6.748 -6.834 -6.920 -7.007 -7.095 -7.184 -4.841 -4.601 -4.454 -4.371 -4.334 -4.334 -4.361 -4.411 -4.480 -4.564 -4.661 -4.770 -4.889 -5.016 -5.151 -5.440 -5.501 -5.563 -5.625 -5.689 -5.753 -5.819 -5.885 -5.952 -6.020 -6.088 -6.158 -6.228 -6.299 -6.372 -6.444 -6.518 -6.592 -6.667 -6.743 -6.820 -4.875 -4.624 -4.468 -4.378 -4.334 -4.327 -4.347 -4.390 -4.450 -4.525 -4.613 -4.711 -4.818 -4.934 -5.056 -5.317 -5.372 -5.427 -5.484 -5.541 -5.598 -5.657 -5.716 -5.776 -5.837 -5.898 -5.960 -6.022 -6.086 -6.150 -6.214 -6.279 -6.345 -6.412 -6.479 -6.547 -4.924 -4.658 -4.493 -4.394 -4.344 -4.329 -4.343 -4.378 -4.431 -4.498 -4.577 -4.666 -4.764 -4.869 -4.980 -5.218 -5.268 -5.319 -5.370 -5.422 -5.474 -5.527 -5.581 -5.635 -5.690 -5.746 -5.802 -5.859 -5.916 -5.974 -6.032 -6.091 -6.151 -6.211 -6.271 -6.332 -4.983 -4.702 -4.527 -4.420 -4.361 -4.340 -4.346 -4.375 -4.421 -4.481 -4.552 -4.633 -4.722 -4.818 -4.919 -5.138 -5.184 -5.230 -5.277 -5.325 -5.373 -5.422 -5.471 -5.521 -5.571 -5.622 -5.673 -5.725 -5.778 -5.831 -5.884 -5.938 -5.993 -6.048 -6.103 -6.159 -5.052 -4.755 -4.569 -4.452 -4.386 -4.357 -4.357 -4.379 -4.418 -4.471 -4.535 -4.609 -4.690 -4.778 -4.872 -5.073 -5.115 -5.158 -5.201 -5.245 -5.290 -5.335 -5.380 -5.426 -5.473 -5.520 -5.567 -5.615 -5.664 -5.713 -5.762 -5.812 -5.863 -5.914 -5.965 -6.017 99999.999 -4.814 -4.617 -4.492 -4.417 -4.381 -4.374 -4.389 -4.422 -4.468 -4.526 -4.593 -4.667 -4.748 -4.834 -5.020 -5.059 -5.099 -5.139 -5.180 -5.221 -5.263 -5.305 -5.348 -5.391 -5.435 -5.479 -5.524 -5.569 -5.615 -5.661 -5.707 -5.755 -5.802 -5.850 -5.899 S2O3-2 S2O3(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 2.000 1 2.000 4 -1.000 2 -2.000 31 147.077 133.539 121.798 111.535 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.077 133.539 121.798 111.535 102.478 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.079 133.541 121.800 111.537 102.480 94.411 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.082 133.545 121.803 111.540 102.483 94.414 87.160 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.089 133.551 121.809 111.546 102.488 94.419 87.165 80.587 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.099 133.560 121.818 111.554 102.497 94.427 87.174 80.596 74.581 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.113 133.574 121.831 111.567 102.509 94.440 87.186 80.610 74.596 69.044 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.135 133.594 121.850 111.585 102.527 94.458 87.205 80.629 74.616 69.067 63.889 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.164 133.622 121.876 111.611 102.552 94.483 87.230 80.655 74.645 69.099 63.927 59.033 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.203 133.658 121.911 111.644 102.585 94.515 87.263 80.690 74.682 69.141 63.977 59.098 54.387 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.255 133.706 121.957 111.688 102.628 94.558 87.307 80.735 74.731 69.195 64.041 59.180 54.505 49.838 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.320 133.767 122.015 111.744 102.682 94.613 87.362 80.793 74.792 69.264 64.121 59.281 54.647 50.075 45.104 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.370 133.815 122.060 111.787 102.725 94.655 87.405 80.837 74.839 69.316 64.182 59.356 54.749 50.236 45.488 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.442 133.882 122.123 111.849 102.785 94.714 87.465 80.900 74.905 69.389 64.266 59.459 54.888 50.443 45.890 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.514 133.949 122.186 111.909 102.844 94.773 87.524 80.961 74.970 69.460 64.347 59.558 55.017 50.629 46.212 35.298 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.584 134.014 122.249 111.969 102.902 94.831 87.583 81.021 75.034 69.529 64.426 59.652 55.137 50.798 46.485 37.879 35.227 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.654 134.080 122.311 112.028 102.960 94.888 87.641 81.080 75.097 69.596 64.502 59.742 55.251 50.953 46.724 38.657 36.709 34.438 31.648 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.723 134.144 122.372 112.087 103.017 94.944 87.697 81.139 75.158 69.663 64.576 59.829 55.359 51.096 46.937 39.125 37.400 35.548 33.492 31.147 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.792 134.208 122.432 112.145 103.074 95.000 87.754 81.196 75.218 69.727 64.647 59.912 55.460 51.229 47.129 39.467 37.853 36.178 34.408 32.499 30.411 28.130 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.859 134.271 122.492 112.203 103.129 95.055 87.809 81.253 75.277 69.791 64.717 59.992 55.557 51.352 47.301 39.743 38.196 36.618 34.990 33.291 31.495 29.582 27.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.927 134.334 122.551 112.259 103.185 95.110 87.864 81.309 75.335 69.853 64.785 60.070 55.649 51.467 47.458 39.976 38.474 36.958 35.416 33.836 32.201 30.497 28.714 26.852 24.921 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.993 134.396 122.610 112.316 103.239 95.164 87.917 81.364 75.393 69.913 64.852 60.145 55.736 51.575 47.601 40.179 38.711 37.238 35.754 34.249 32.713 31.137 29.512 27.833 26.103 24.330 22.530 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 148.060 134.458 122.668 112.371 103.293 95.217 87.971 81.418 75.449 69.973 64.917 60.217 55.820 51.676 47.731 40.361 38.918 37.478 36.035 34.582 33.113 31.621 30.100 28.544 26.953 25.328 23.678 22.014 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 148.125 134.519 122.726 112.426 103.347 95.270 88.023 81.472 75.504 70.032 64.980 60.287 55.900 51.771 47.851 40.526 39.104 37.689 36.277 34.864 33.443 32.010 30.560 29.089 27.596 26.080 24.544 22.994 21.440 19.890 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 148.190 134.579 122.783 112.481 103.400 95.322 88.075 81.525 75.559 70.089 65.042 60.355 55.977 51.861 47.961 40.678 39.273 37.879 36.491 35.107 33.723 32.334 30.936 29.527 28.105 26.668 25.218 23.758 22.293 20.829 19.376 99999.999 99999.999 99999.999 99999.999 99999.999 148.255 134.639 122.839 112.535 103.452 95.373 88.127 81.577 75.613 70.146 65.102 60.422 56.051 51.946 48.063 40.818 39.428 38.051 36.683 35.323 33.967 32.612 31.254 29.892 28.523 27.146 25.762 24.371 22.977 21.584 20.198 18.825 17.471 99999.999 99999.999 99999.999 148.319 134.699 122.895 112.589 103.504 95.424 88.178 81.628 75.666 70.202 65.162 60.486 56.123 52.027 48.158 40.950 39.572 38.209 36.858 35.518 34.185 32.857 31.530 30.204 28.877 27.546 26.212 24.876 23.539 22.203 20.874 19.555 18.251 16.967 99999.999 99999.999 148.382 134.758 122.951 112.642 103.555 95.475 88.228 81.679 75.718 70.256 65.220 60.549 56.192 52.105 48.247 41.074 39.706 38.356 37.019 35.696 34.381 33.075 31.774 30.477 29.182 27.888 26.595 25.302 24.010 22.722 21.440 20.168 18.907 17.664 16.441 15.242 148.445 134.816 123.006 112.694 103.606 95.525 88.278 81.730 75.770 70.310 65.277 60.611 56.260 52.180 48.333 41.191 39.833 38.493 37.169 35.859 34.561 33.273 31.993 30.720 29.452 28.187 26.926 25.669 24.415 23.165 21.923 20.689 19.466 18.259 17.069 15.899 149.051 135.377 123.534 113.198 104.092 96.000 88.749 82.203 76.253 70.811 65.803 61.170 56.862 52.838 49.061 42.127 40.824 39.546 38.291 37.058 35.846 34.653 33.478 32.320 31.179 30.053 28.941 27.844 26.760 25.689 24.631 23.586 22.552 21.532 20.524 19.528 149.618 135.901 124.026 113.665 104.542 96.438 89.180 82.634 76.688 71.255 66.263 61.651 57.371 53.380 49.645 42.820 41.545 40.296 39.073 37.874 36.698 35.544 34.410 33.297 32.203 31.126 30.068 29.026 28.000 26.990 25.994 25.013 24.046 23.093 22.153 21.226 150.154 136.395 124.488 114.104 104.963 96.846 89.581 83.030 77.086 71.659 66.676 62.079 57.817 53.849 50.141 43.386 42.127 40.896 39.692 38.512 37.357 36.225 35.115 34.026 32.957 31.908 30.877 29.865 28.869 27.890 26.927 25.979 25.046 24.128 23.223 22.332 150.667 136.865 124.927 114.519 105.360 97.230 89.956 83.401 77.455 72.030 67.054 62.466 58.217 54.265 50.576 43.869 42.622 41.403 40.211 39.045 37.904 36.786 35.691 34.618 33.565 32.533 31.520 30.525 29.549 28.589 27.646 26.718 25.806 24.909 24.026 23.157 151.159 137.314 125.345 114.914 105.738 97.594 90.311 83.750 77.801 72.376 67.403 62.822 58.582 54.642 50.967 44.295 43.056 41.846 40.663 39.506 38.374 37.267 36.182 35.120 34.079 33.059 32.058 31.075 30.112 29.165 28.235 27.322 26.424 25.542 24.673 23.819 151.635 137.746 125.746 115.292 106.098 97.942 90.648 84.080 78.128 72.702 67.730 63.152 58.919 54.987 51.323 44.678 43.445 42.241 41.065 39.915 38.790 37.690 36.614 35.559 34.527 33.514 32.522 31.549 30.595 29.658 28.738 27.834 26.947 26.074 25.217 24.373 152.098 138.164 126.132 115.655 106.444 98.274 90.971 84.395 78.438 73.010 68.038 63.463 59.233 55.308 51.651 45.026 43.798 42.599 41.428 40.283 39.164 38.070 36.999 35.951 34.924 33.919 32.933 31.967 31.019 30.089 29.177 28.281 27.401 26.536 25.686 24.850 99999.999 138.570 126.507 116.006 106.777 98.594 91.280 84.697 78.735 73.304 68.331 63.756 59.529 55.608 51.957 45.347 44.123 42.927 41.760 40.620 39.505 38.415 37.349 36.305 35.284 34.283 33.303 32.342 31.399 30.475 29.568 28.677 27.803 26.944 26.100 25.270 HS2O3- HS2O3(-1) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 4 2.000 1 1.000 6 1.000 4 -1.000 2 -6.632 -6.463 -6.481 -6.612 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.632 -6.463 -6.481 -6.612 -6.824 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.631 -6.463 -6.480 -6.612 -6.824 -7.100 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-6.978 -7.281 -7.624 -8.004 -8.419 -8.871 -9.364 -9.902 -10.502 -11.208 -12.483 -12.844 -13.248 -13.712 -14.263 -14.937 -15.765 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.464 -6.348 -6.381 -6.511 -6.712 -6.968 -7.269 -7.609 -7.985 -8.395 -8.840 -9.323 -9.846 -10.422 -11.085 -12.333 -12.663 -13.022 -13.419 -13.866 -14.380 -14.980 -15.682 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.451 -6.340 -6.373 -6.504 -6.704 -6.958 -7.257 -7.594 -7.966 -8.372 -8.811 -9.284 -9.794 -10.350 -10.976 -12.203 -12.510 -12.840 -13.196 -13.585 -14.016 -14.500 -15.047 -15.664 -16.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.438 -6.331 -6.366 -6.496 -6.696 -6.949 -7.245 -7.580 -7.948 -8.349 -8.782 -9.247 -9.745 -10.284 -10.879 -12.087 -12.377 -12.685 -13.013 -13.365 -13.746 -14.162 -14.620 -15.125 -15.680 -16.282 -16.925 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.426 -6.323 -6.359 -6.490 -6.688 -6.940 -7.234 -7.566 -7.931 -8.328 -8.755 -9.212 -9.700 -10.223 -10.793 -11.982 -12.259 -12.550 -12.857 -13.182 -13.529 -13.902 -14.304 -14.739 -15.209 -15.715 -16.255 -16.822 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.415 -6.316 -6.353 -6.483 -6.681 -6.931 -7.223 -7.552 -7.914 -8.307 -8.729 -9.179 -9.658 -10.168 -10.717 -11.886 -12.152 -12.429 -12.719 -13.025 -13.347 -13.689 -14.053 -14.441 -14.855 -15.296 -15.763 -16.253 -16.761 -17.281 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.403 -6.308 -6.347 -6.477 -6.674 -6.922 -7.213 -7.539 -7.898 -8.287 -8.704 -9.148 -9.618 -10.117 -10.649 -11.798 -12.053 -12.319 -12.596 -12.886 -13.189 -13.508 -13.844 -14.199 -14.573 -14.968 -15.383 -15.817 -16.267 -16.728 -17.197 99999.999 99999.999 99999.999 99999.999 99999.999 -6.392 -6.301 -6.341 -6.470 -6.667 -6.914 -7.203 -7.527 -7.883 -8.267 -8.680 -9.118 -9.581 -10.070 -10.588 -11.715 -11.963 -12.219 -12.484 -12.761 -13.049 -13.350 -13.664 -13.994 -14.339 -14.700 -15.078 -15.470 -15.876 -16.292 -16.715 -17.141 -17.566 99999.999 99999.999 99999.999 -6.382 -6.294 -6.335 -6.465 -6.660 -6.906 -7.193 -7.515 -7.867 -8.249 -8.656 -9.089 -9.546 -10.027 -10.534 -11.638 -11.878 -12.126 -12.382 -12.647 -12.922 -13.208 -13.506 -13.816 -14.138 -14.474 -14.823 -15.184 -15.556 -15.937 -16.325 -16.716 -17.107 -17.495 99999.999 99999.999 -6.371 -6.288 -6.329 -6.459 -6.654 -6.898 -7.183 -7.503 -7.853 -8.230 -8.634 -9.062 -9.512 -9.986 -10.484 -11.565 -11.799 -12.039 -12.287 -12.543 -12.807 -13.081 -13.364 -13.658 -13.963 -14.278 -14.604 -14.941 -15.286 -15.640 -15.999 -16.362 -16.727 -17.089 -17.447 -17.797 -6.361 -6.282 -6.324 -6.453 -6.647 -6.891 -7.174 -7.491 -7.839 -8.213 -8.612 -9.035 -9.480 -9.947 -10.437 -11.497 -11.724 -11.958 -12.198 -12.446 -12.701 -12.964 -13.236 -13.516 -13.806 -14.105 -14.413 -14.729 -15.054 -15.385 -15.722 -16.062 -16.404 -16.745 -17.083 -17.416 -6.277 -6.231 -6.282 -6.410 -6.597 -6.829 -7.097 -7.394 -7.717 -8.062 -8.428 -8.811 -9.211 -9.627 -10.056 -10.961 -11.149 -11.341 -11.535 -11.732 -11.933 -12.137 -12.344 -12.554 -12.768 -12.985 -13.205 -13.429 -13.655 -13.884 -14.116 -14.350 -14.585 -14.822 -15.060 -15.299 -6.219 -6.199 -6.257 -6.383 -6.563 -6.786 -7.041 -7.322 -7.626 -7.949 -8.288 -8.642 -9.009 -9.388 -9.777 -10.585 -10.752 -10.920 -11.090 -11.261 -11.434 -11.609 -11.786 -11.965 -12.146 -12.328 -12.512 -12.698 -12.886 -13.076 -13.267 -13.460 -13.654 -13.849 -14.046 -14.243 -6.180 -6.184 -6.246 -6.370 -6.544 -6.757 -7.001 -7.269 -7.557 -7.861 -8.180 -8.511 -8.852 -9.203 -9.562 -10.301 -10.452 -10.604 -10.757 -10.912 -11.067 -11.224 -11.382 -11.541 -11.701 -11.862 -12.025 -12.189 -12.353 -12.520 -12.687 -12.855 -13.025 -13.195 -13.367 -13.539 -6.158 -6.182 -6.248 -6.369 -6.537 -6.742 -6.975 -7.231 -7.506 -7.795 -8.096 -8.407 -8.727 -9.055 -9.390 -10.075 -10.215 -10.355 -10.496 -10.638 -10.780 -10.924 -11.068 -11.213 -11.359 -11.505 -11.653 -11.801 -11.950 -12.100 -12.251 -12.403 -12.556 -12.709 -12.863 -13.018 -6.148 -6.191 -6.260 -6.378 -6.539 -6.736 -6.960 -7.206 -7.468 -7.744 -8.030 -8.325 -8.627 -8.936 -9.251 -9.892 -10.023 -10.153 -10.285 -10.417 -10.549 -10.682 -10.816 -10.950 -11.085 -11.221 -11.357 -11.493 -11.631 -11.769 -11.908 -12.047 -12.187 -12.328 -12.469 -12.611 -6.149 -6.209 -6.280 -6.395 -6.550 -6.739 -6.954 -7.190 -7.442 -7.705 -7.979 -8.260 -8.547 -8.840 -9.137 -9.742 -9.865 -9.988 -10.111 -10.235 -10.359 -10.484 -10.609 -10.735 -10.861 -10.987 -11.115 -11.242 -11.370 -11.499 -11.628 -11.758 -11.889 -12.020 -12.151 -12.283 -6.159 -6.234 -6.308 -6.419 -6.568 -6.750 -6.957 -7.183 -7.425 -7.678 -7.940 -8.208 -8.482 -8.761 -9.043 -9.617 -9.733 -9.849 -9.966 -10.083 -10.201 -10.318 -10.437 -10.555 -10.674 -10.793 -10.913 -11.033 -11.154 -11.275 -11.397 -11.519 -11.642 -11.765 -11.888 -12.013 99999.999 -6.266 -6.342 -6.450 -6.593 -6.767 -6.966 -7.184 -7.416 -7.660 -7.911 -8.169 -8.431 -8.697 -8.966 -9.513 -9.623 -9.734 -9.844 -9.956 -10.067 -10.179 -10.291 -10.404 -10.517 -10.630 -10.744 -10.858 -10.972 -11.087 -11.202 -11.318 -11.434 -11.551 -11.668 -11.786 HS2O3- HS2O3(-1) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 4 3.000 1 2.000 4 -1.000 2 -2.000 31 145.467 131.853 119.958 109.502 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.467 131.853 119.959 109.502 100.224 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.469 131.855 119.960 109.503 100.226 91.918 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.473 131.859 119.964 109.506 100.229 91.921 84.412 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.480 131.865 119.969 109.512 100.235 91.927 84.418 77.570 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.490 131.874 119.978 109.521 100.243 91.935 84.427 77.580 71.279 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.506 131.889 119.992 109.533 100.256 91.948 84.441 77.595 71.295 65.437 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.529 131.909 120.011 109.552 100.274 91.967 84.460 77.616 71.318 65.465 59.953 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.560 131.937 120.037 109.577 100.299 91.993 84.487 77.644 71.350 65.502 59.999 54.732 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.602 131.975 120.072 109.611 100.333 92.027 84.522 77.683 71.392 65.551 60.060 54.814 49.675 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.657 132.024 120.118 109.655 100.377 92.071 84.568 77.732 71.447 65.614 60.137 54.917 49.829 44.642 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.726 132.086 120.177 109.712 100.432 92.127 84.627 77.794 71.516 65.693 60.234 55.044 50.012 44.955 39.273 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.780 132.135 120.222 109.755 100.475 92.170 84.672 77.842 71.569 65.753 60.307 55.138 50.145 45.169 39.776 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.857 132.203 120.286 109.817 100.536 92.232 84.736 77.910 71.643 65.838 60.408 55.267 50.324 45.444 40.313 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.934 132.272 120.350 109.878 100.596 92.293 84.798 77.976 71.715 65.920 60.505 55.390 50.489 45.690 40.745 28.333 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 146.009 132.339 120.413 109.939 100.656 92.352 84.860 78.042 71.786 65.999 60.598 55.506 50.644 45.913 41.113 31.575 28.448 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 146.084 132.406 120.475 109.999 100.715 92.411 84.921 78.106 71.855 66.077 60.688 55.617 50.789 46.116 41.436 32.552 30.314 27.655 24.298 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 146.159 132.472 120.537 110.058 100.773 92.470 84.980 78.169 71.923 66.152 60.776 55.723 50.925 46.303 41.722 33.144 31.187 29.061 26.663 23.873 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 146.232 132.538 120.598 110.117 100.830 92.527 85.039 78.230 71.990 66.226 60.860 55.825 51.053 46.475 41.979 33.580 31.763 29.860 27.828 25.608 23.142 20.399 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 146.305 132.603 120.659 110.175 100.887 92.584 85.097 78.291 72.055 66.298 60.942 55.922 51.174 46.635 42.209 33.932 32.200 30.420 28.570 26.620 24.536 22.287 19.861 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 146.378 132.668 120.719 110.232 100.943 92.640 85.155 78.351 72.119 66.368 61.022 56.015 51.289 46.783 42.417 34.230 32.556 30.856 29.115 27.316 25.440 23.466 21.379 19.175 16.866 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 146.450 132.732 120.778 110.289 100.998 92.696 85.211 78.410 72.182 66.437 61.099 56.105 51.397 46.920 42.605 34.491 32.860 31.215 29.548 27.846 26.097 24.289 22.409 20.451 18.414 16.308 14.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 146.521 132.795 120.837 110.345 101.053 92.750 85.267 78.468 72.244 66.504 61.175 56.192 51.501 47.048 42.775 34.724 33.126 31.523 29.909 28.274 26.612 24.912 23.167 21.371 19.519 17.615 15.668 13.692 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 146.592 132.858 120.896 110.401 101.108 92.805 85.322 78.526 72.305 66.570 61.248 56.276 51.599 47.168 42.930 34.936 33.365 31.795 30.220 28.636 27.036 25.412 23.761 22.075 20.352 18.592 16.799 14.979 13.145 11.311 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 146.663 132.920 120.954 110.456 101.162 92.858 85.377 78.582 72.365 66.635 61.320 56.357 51.693 47.280 43.071 35.130 33.581 32.038 30.495 28.950 27.396 25.830 24.246 22.641 21.011 19.356 17.677 15.978 14.265 12.547 10.836 99999.999 99999.999 99999.999 99999.999 99999.999 146.733 132.982 121.011 110.511 101.215 92.911 85.431 78.638 72.424 66.699 61.389 56.435 51.783 47.386 43.200 35.310 33.780 32.259 30.743 29.228 27.712 26.189 24.657 23.113 21.553 19.976 18.383 16.776 15.158 13.536 11.917 10.309 8.721 99999.999 99999.999 99999.999 146.802 133.044 121.068 110.565 101.268 92.964 85.484 78.693 72.482 66.761 61.458 56.511 51.869 47.486 43.320 35.478 33.964 32.462 30.968 29.479 27.993 26.505 25.014 23.516 22.010 20.494 18.968 17.433 15.890 14.345 12.802 11.268 9.748 8.250 99999.999 99999.999 146.871 133.105 121.125 110.619 101.320 93.016 85.536 78.747 72.539 66.822 61.525 56.585 51.952 47.582 43.431 35.637 34.137 32.650 31.175 29.708 28.246 26.788 25.330 23.870 22.406 20.938 19.465 17.986 16.504 15.022 13.542 12.069 10.608 9.164 7.743 6.350 146.939 133.165 121.181 110.672 101.372 93.067 85.588 78.801 72.595 66.883 61.590 56.657 52.033 47.673 43.538 35.786 34.299 32.826 31.367 29.919 28.478 27.044 25.613 24.184 22.756 21.326 19.895 18.463 17.030 15.598 14.170 12.749 11.338 9.942 8.565 7.212 147.600 133.748 121.719 111.182 101.866 93.555 86.079 79.303 73.118 67.437 62.186 57.306 52.748 48.469 44.434 36.968 35.557 34.169 32.803 31.457 30.131 28.823 27.531 26.255 24.994 23.747 22.513 21.292 20.083 18.885 17.699 16.525 15.362 14.211 13.072 11.946 148.222 134.295 122.221 111.657 102.324 94.004 86.527 79.756 73.585 67.923 62.700 57.856 53.341 49.114 45.139 37.831 36.458 35.111 33.789 32.491 31.215 29.960 28.726 27.510 26.313 25.134 23.971 22.825 21.694 20.578 19.476 18.388 17.313 16.252 15.203 14.167 148.815 134.813 122.696 112.104 102.753 94.422 86.941 80.172 74.009 68.361 63.157 58.338 53.853 49.662 45.730 38.525 37.176 35.855 34.560 33.290 32.043 30.820 29.618 28.437 27.276 26.134 25.010 23.904 22.815 21.742 20.684 19.642 18.614 17.600 16.599 15.612 149.384 135.307 123.147 112.527 103.157 94.815 87.328 80.559 74.399 68.761 63.571 58.770 54.308 50.143 46.242 39.111 37.779 36.476 35.199 33.948 32.722 31.519 30.339 29.181 28.043 26.925 25.827 24.746 23.684 22.638 21.609 20.595 19.596 18.612 17.642 16.686 149.935 135.781 123.578 112.930 103.542 95.188 87.693 80.922 74.764 69.131 63.951 59.163 54.718 50.574 46.696 39.621 38.302 37.011 35.748 34.511 33.299 32.112 30.948 29.805 28.684 27.584 26.503 25.441 24.396 23.370 22.360 21.366 20.388 19.424 18.475 17.540 150.469 136.240 123.993 113.317 103.909 95.542 88.040 81.265 75.107 69.477 64.303 59.526 55.094 50.965 47.105 40.074 38.764 37.484 36.231 35.005 33.804 32.628 31.476 30.345 29.237 28.149 27.081 26.032 25.002 23.989 22.994 22.014 21.051 20.103 19.169 18.249 150.991 136.685 124.393 113.688 104.262 95.882 88.371 81.591 75.431 69.803 64.634 59.863 55.441 51.325 47.479 40.482 39.180 37.908 36.663 35.445 34.254 33.086 31.943 30.822 29.723 28.645 27.588 26.549 25.529 24.527 23.542 22.574 21.622 20.685 19.763 18.855 99999.999 137.119 124.781 114.048 104.602 96.208 88.688 81.903 75.740 70.113 64.946 60.180 55.765 51.659 47.824 40.855 39.559 38.293 37.055 35.844 34.659 33.499 32.363 31.250 30.158 29.088 28.038 27.008 25.996 25.003 24.026 23.067 22.123 21.195 20.281 19.382 H2S2O3,aq H2S2O3(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 3.000 1 1.000 6 1.000 4 -1.000 2 -7.006 -7.050 -7.282 -7.624 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.006 -7.050 -7.282 -7.624 -8.040 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.005 -7.049 -7.282 -7.623 -8.040 -8.516 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.991 -7.038 -7.271 -7.613 -8.029 -8.504 -9.032 -9.611 -10.246 -10.949 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.983 -7.031 -7.265 -7.606 -8.022 -8.496 -9.023 -9.601 -10.233 -10.932 -11.723 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.971 -7.022 -7.257 -7.598 -8.013 -8.486 -9.011 -9.586 -10.215 -10.909 -11.692 -12.607 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.956 -7.010 -7.245 -7.586 -8.001 -8.473 -8.995 -9.568 -10.192 -10.880 -11.652 -12.548 -13.644 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.936 -6.994 -7.230 -7.571 -7.985 -8.455 -8.975 -9.543 -10.163 -10.842 -11.601 -12.474 -13.526 -14.916 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.911 -6.974 -7.212 -7.553 -7.965 -8.433 -8.949 -9.513 -10.125 -10.795 -11.537 -12.383 -13.386 -14.665 -16.699 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.892 -6.958 -7.197 -7.538 -7.949 -8.416 -8.930 -9.490 -10.097 -10.759 -11.490 -12.317 -13.286 -14.495 -16.285 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.865 -6.936 -7.177 -7.518 -7.928 -8.392 -8.903 -9.458 -10.058 -10.710 -11.426 -12.227 -13.152 -14.278 -15.845 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.839 -6.915 -7.158 -7.498 -7.907 -8.369 -8.876 -9.426 -10.020 -10.663 -11.364 -12.143 -13.029 -14.085 -15.493 -20.913 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.813 -6.894 -7.138 -7.479 -7.887 -8.346 -8.850 -9.396 -9.983 -10.617 -11.305 -12.063 -12.916 -13.912 -15.195 -18.220 -19.929 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.788 -6.874 -7.119 -7.460 -7.867 -8.324 -8.825 -9.366 -9.948 -10.573 -11.249 -11.988 -12.811 -13.756 -14.935 -17.420 -18.385 -19.728 -21.690 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.763 -6.854 -7.101 -7.441 -7.847 -8.302 -8.800 -9.337 -9.913 -10.531 -11.196 -11.918 -12.713 -13.614 -14.706 -16.939 -17.669 -18.566 -19.715 -21.221 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.739 -6.835 -7.083 -7.423 -7.828 -8.281 -8.776 -9.309 -9.880 -10.490 -11.144 -11.851 -12.622 -13.484 -14.503 -16.587 -17.201 -17.911 -18.753 -19.775 -21.030 -22.543 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.715 -6.816 -7.065 -7.406 -7.809 -8.261 -8.753 -9.282 -9.848 -10.451 -11.095 -11.787 -12.537 -13.365 -14.322 -16.306 -16.849 -17.455 -18.144 -18.940 -19.870 -20.962 -22.226 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.692 -6.797 -7.048 -7.388 -7.791 -8.241 -8.730 -9.255 -9.816 -10.413 -11.048 -11.727 -12.458 -13.256 -14.160 -16.069 -16.563 -17.104 -17.701 -18.369 -19.123 -19.982 -20.957 -22.052 -23.257 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.669 -6.779 -7.031 -7.371 -7.773 -8.221 -8.708 -9.230 -9.785 -10.376 -11.003 -11.670 -12.384 -13.156 -14.016 -15.864 -16.322 -16.815 -17.351 -17.937 -18.584 -19.303 -20.102 -20.987 -21.959 -23.008 -24.117 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.647 -6.761 -7.014 -7.355 -7.755 -8.202 -8.686 -9.204 -9.756 -10.340 -10.959 -11.615 -12.314 -13.064 -13.887 -15.682 -16.112 -16.569 -17.060 -17.590 -18.165 -18.791 -19.476 -20.224 -21.038 -21.914 -22.846 -23.819 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.625 -6.743 -6.998 -7.339 -7.738 -8.183 -8.665 -9.180 -9.726 -10.305 -10.917 -11.563 -12.248 -12.979 -13.771 -15.518 -15.925 -16.355 -16.812 -17.299 -17.821 -18.383 -18.989 -19.643 -20.347 -21.101 -21.900 -22.739 -23.608 -24.493 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.604 -6.726 -6.982 -7.323 -7.721 -8.164 -8.644 -9.156 -9.698 -10.271 -10.876 -11.514 -12.187 -12.901 -13.667 -15.368 -15.756 -16.164 -16.593 -17.048 -17.530 -18.044 -18.593 -19.179 -19.804 -20.468 -21.170 -21.906 -22.671 -23.454 -24.249 99999.999 99999.999 99999.999 99999.999 99999.999 -6.583 -6.709 -6.967 -7.307 -7.705 -8.146 -8.623 -9.132 -9.671 -10.239 -10.837 -11.466 -12.128 -12.828 -13.573 -15.230 -15.602 -15.991 -16.398 -16.826 -17.278 -17.754 -18.259 -18.794 -19.360 -19.957 -20.586 -21.244 -21.926 -22.628 -23.343 -24.063 -24.780 99999.999 99999.999 99999.999 -6.563 -6.693 -6.951 -7.292 -7.689 -8.129 -8.604 -9.109 -9.644 -10.207 -10.799 -11.420 -12.073 -12.760 -13.488 -15.103 -15.460 -15.833 -16.221 -16.628 -17.054 -17.501 -17.971 -18.466 -18.986 -19.532 -20.104 -20.701 -21.319 -21.955 -22.604 -23.261 -23.919 -24.573 99999.999 99999.999 -6.543 -6.677 -6.937 -7.277 -7.673 -8.111 -8.584 -9.087 -9.618 -10.176 -10.762 -11.376 -12.020 -12.696 -13.409 -14.983 -15.329 -15.687 -16.060 -16.448 -16.852 -17.275 -17.717 -18.180 -18.664 -19.170 -19.697 -20.245 -20.811 -21.394 -21.990 -22.594 -23.201 -23.808 -24.408 -24.997 -6.523 -6.661 -6.922 -7.262 -7.658 -8.094 -8.565 -9.065 -9.592 -10.146 -10.726 -11.334 -11.969 -12.635 -13.335 -14.871 -15.206 -15.552 -15.911 -16.283 -16.670 -17.072 -17.491 -17.927 -18.381 -18.854 -19.345 -19.854 -20.379 -20.918 -21.469 -22.029 -22.594 -23.159 -23.721 -24.276 -6.348 -6.519 -6.790 -7.130 -7.518 -7.942 -8.394 -8.870 -9.366 -9.881 -10.415 -10.967 -11.537 -12.125 -12.732 -14.012 -14.280 -14.552 -14.830 -15.112 -15.400 -15.694 -15.993 -16.298 -16.609 -16.925 -17.248 -17.577 -17.911 -18.250 -18.595 -18.944 -19.297 -19.653 -20.012 -20.372 -6.206 -6.404 -6.683 -7.022 -7.403 -7.817 -8.254 -8.710 -9.182 -9.668 -10.168 -10.680 -11.204 -11.740 -12.287 -13.419 -13.652 -13.887 -14.125 -14.365 -14.608 -14.854 -15.103 -15.354 -15.609 -15.866 -16.127 -16.390 -16.656 -16.925 -17.197 -17.471 -17.748 -18.027 -18.308 -18.590 -6.089 -6.309 -6.594 -6.932 -7.308 -7.712 -8.136 -8.576 -9.029 -9.492 -9.965 -10.446 -10.936 -11.433 -11.937 -12.968 -13.177 -13.388 -13.601 -13.815 -14.031 -14.248 -14.466 -14.687 -14.909 -15.133 -15.358 -15.585 -15.814 -16.045 -16.277 -16.511 -16.747 -16.984 -17.222 -17.462 -5.994 -6.232 -6.522 -6.858 -7.228 -7.623 -8.037 -8.464 -8.900 -9.345 -9.795 -10.252 -10.714 -11.180 -11.651 -12.606 -12.799 -12.992 -13.187 -13.382 -13.579 -13.776 -13.974 -14.173 -14.373 -14.575 -14.777 -14.980 -15.185 -15.391 -15.597 -15.805 -16.014 -16.224 -16.436 -16.648 -5.914 -6.170 -6.463 -6.797 -7.161 -7.549 -7.953 -8.368 -8.791 -9.219 -9.652 -10.088 -10.527 -10.968 -11.412 -12.306 -12.486 -12.667 -12.848 -13.029 -13.211 -13.393 -13.576 -13.760 -13.944 -14.128 -14.314 -14.500 -14.687 -14.875 -15.064 -15.253 -15.443 -15.634 -15.826 -16.019 -5.848 -6.119 -6.416 -6.747 -7.106 -7.487 -7.881 -8.286 -8.697 -9.112 -9.529 -9.947 -10.367 -10.787 -11.209 -12.054 -12.224 -12.393 -12.563 -12.733 -12.903 -13.074 -13.245 -13.416 -13.588 -13.760 -13.933 -14.106 -14.280 -14.454 -14.629 -14.804 -14.980 -15.157 -15.334 -15.512 -5.794 -6.078 -6.378 -6.707 -7.061 -7.434 -7.821 -8.216 -8.616 -9.019 -9.422 -9.826 -10.229 -10.632 -11.034 -11.838 -11.999 -12.160 -12.320 -12.481 -12.642 -12.803 -12.964 -13.126 -13.288 -13.450 -13.612 -13.775 -13.938 -14.101 -14.265 -14.430 -14.595 -14.760 -14.926 -15.093 99999.999 -6.045 -6.349 -6.676 -7.025 -7.391 -7.770 -8.156 -8.546 -8.938 -9.330 -9.720 -10.110 -10.497 -10.883 -11.651 -11.805 -11.958 -12.111 -12.264 -12.417 -12.570 -12.723 -12.877 -13.030 -13.184 -13.338 -13.492 -13.646 -13.801 -13.956 -14.112 -14.268 -14.425 -14.582 -14.740 H2S2O3,aq H2S2O3(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 4.000 1 2.000 4 -1.000 2 -2.000 31 145.093 131.267 119.157 108.490 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.093 131.267 119.157 108.490 99.008 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.096 131.269 119.159 108.492 99.010 90.502 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.100 131.273 119.163 108.496 99.014 90.505 82.797 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.108 131.280 119.169 108.502 99.020 90.512 82.803 75.753 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.120 131.291 119.180 108.512 99.031 90.522 82.814 75.765 69.255 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.138 131.308 119.195 108.527 99.046 90.538 82.830 75.783 69.274 63.195 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.164 131.332 119.218 108.549 99.067 90.560 82.854 75.808 69.303 63.229 57.474 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.200 131.364 119.249 108.579 99.097 90.590 82.885 75.842 69.341 63.274 57.531 51.985 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.248 131.408 119.290 108.619 99.137 90.630 82.928 75.888 69.392 63.334 57.606 52.088 46.610 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.311 131.464 119.343 108.671 99.188 90.683 82.983 75.947 69.458 63.411 57.701 52.216 46.804 41.167 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.391 131.537 119.412 108.737 99.254 90.750 83.052 76.022 69.542 63.508 57.820 52.374 47.036 41.573 35.169 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.453 131.593 119.464 108.788 99.304 90.801 83.106 76.080 69.605 63.581 57.910 52.491 47.203 41.847 35.854 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.541 131.673 119.539 108.861 99.376 90.874 83.182 76.161 69.695 63.683 58.033 52.651 47.426 42.198 36.563 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.628 131.752 119.614 108.932 99.447 90.946 83.257 76.241 69.782 63.783 58.152 52.802 47.633 42.509 37.121 21.762 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.715 131.830 119.687 109.003 99.517 91.017 83.330 76.319 69.868 63.880 58.267 52.945 47.826 42.789 37.592 26.599 22.573 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.801 131.907 119.760 109.074 99.587 91.087 83.402 76.395 69.951 63.974 58.377 53.082 48.006 43.044 38.001 28.026 25.328 21.999 17.675 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.886 131.984 119.832 109.143 99.655 91.156 83.474 76.471 70.033 64.065 58.484 53.213 48.175 43.278 38.362 28.868 26.590 24.050 21.104 17.595 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.970 132.060 119.903 109.212 99.723 91.224 83.544 76.545 70.113 64.155 58.587 53.338 48.333 43.494 38.684 29.476 27.406 25.197 22.787 20.096 17.049 13.620 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 146.054 132.136 119.974 109.280 99.790 91.291 83.613 76.618 70.192 64.242 58.688 53.457 48.483 43.692 38.973 29.959 28.014 25.987 23.845 21.546 19.045 16.305 13.317 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 146.137 132.210 120.044 109.347 99.856 91.358 83.682 76.690 70.269 64.327 58.785 53.572 48.625 43.877 39.233 30.364 28.503 26.592 24.610 22.532 20.333 17.984 15.469 12.786 9.958 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 146.219 132.284 120.114 109.414 99.921 91.423 83.749 76.760 70.345 64.411 58.879 53.682 48.759 44.048 39.468 30.714 28.915 27.085 25.210 23.273 21.259 19.149 16.928 14.589 12.134 9.582 6.963 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 146.301 132.358 120.182 109.480 99.986 91.488 83.815 76.830 70.420 64.492 58.971 53.789 48.887 44.207 39.681 31.024 29.274 27.504 25.705 23.866 21.977 20.023 17.996 15.885 13.690 11.416 9.077 6.695 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 146.382 132.431 120.250 109.545 100.050 91.553 83.881 76.898 70.493 64.572 59.060 53.891 49.008 44.356 39.875 31.304 29.592 27.869 26.128 24.362 22.561 20.718 18.824 16.873 14.861 12.788 10.661 8.493 6.299 4.099 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 146.462 132.503 120.318 109.610 100.114 91.616 83.946 76.966 70.565 64.651 59.147 53.991 49.124 44.496 40.052 31.559 29.878 28.193 26.499 24.788 23.055 21.294 19.497 17.661 15.781 13.857 11.890 9.888 7.861 5.821 3.784 99999.999 99999.999 99999.999 99999.999 99999.999 146.542 132.574 120.385 109.674 100.177 91.679 84.010 77.033 70.636 64.727 59.232 54.087 49.235 44.628 40.215 31.795 30.140 28.487 26.829 25.163 23.483 21.785 20.062 18.313 16.532 14.719 12.875 11.002 9.108 7.200 5.290 3.388 1.507 99999.999 99999.999 99999.999 146.621 132.646 120.451 109.738 100.239 91.741 84.073 77.098 70.705 64.803 59.315 54.180 49.342 44.753 40.365 32.014 30.382 28.755 27.128 25.499 23.862 22.213 20.549 18.867 17.163 15.436 13.686 11.916 10.127 8.327 6.523 4.723 2.936 1.172 99999.999 99999.999 146.700 132.716 120.517 109.801 100.301 91.803 84.136 77.163 70.774 64.877 59.397 54.270 49.445 44.872 40.506 32.219 30.607 29.002 27.402 25.803 24.201 22.593 20.977 19.348 17.705 16.047 14.372 12.682 10.979 9.267 7.551 5.837 4.133 2.446 0.782 -0.850 146.778 132.786 120.583 109.863 100.362 91.863 84.198 77.227 70.842 64.950 59.476 54.359 49.545 44.986 40.640 32.412 30.817 29.232 27.655 26.082 24.510 22.936 21.358 19.774 18.180 16.577 14.963 13.339 11.705 10.065 8.423 6.782 5.149 3.529 1.927 0.352 147.529 133.459 121.210 110.462 100.945 92.441 84.781 77.828 71.470 65.618 60.199 55.150 50.422 45.970 41.758 33.917 32.426 30.957 29.508 28.077 26.664 25.266 23.882 22.512 21.153 19.807 18.470 17.144 15.827 14.519 13.220 11.931 10.651 9.381 8.121 6.873 148.235 134.090 121.796 111.019 101.484 92.973 85.313 78.369 72.029 66.204 60.821 55.818 51.146 46.762 42.629 34.998 33.558 32.144 30.754 29.387 28.041 26.715 25.409 24.121 22.850 21.596 20.357 19.133 17.924 16.728 15.546 14.376 13.219 12.074 10.941 9.820 148.906 134.687 122.348 111.543 101.989 93.468 85.806 78.865 72.537 66.730 61.372 56.402 51.770 47.432 43.354 35.858 34.451 33.071 31.716 30.386 29.080 27.796 26.533 25.291 24.068 22.864 21.677 20.507 19.354 18.217 17.094 15.986 14.892 13.811 12.744 11.689 149.548 135.256 122.873 112.039 102.466 93.934 86.266 79.327 73.005 67.211 61.871 56.925 52.321 48.019 43.981 36.581 35.196 33.838 32.508 31.204 29.924 28.667 27.433 26.220 25.028 23.856 22.703 21.567 20.449 19.348 18.262 17.192 16.137 15.097 14.070 13.056 150.168 135.802 123.375 112.511 102.920 94.375 86.701 79.760 73.441 67.655 62.329 57.400 52.819 48.542 44.534 37.207 35.838 34.498 33.185 31.899 30.638 29.401 28.188 26.996 25.826 24.676 23.545 22.434 21.340 20.264 19.204 18.160 17.132 16.118 15.119 14.133 150.770 136.329 123.857 112.964 103.353 94.795 87.113 80.169 73.852 68.071 62.753 57.838 53.274 49.017 45.033 37.762 36.405 35.078 33.779 32.507 31.260 30.038 28.840 27.664 26.510 25.376 24.263 23.169 22.093 21.035 19.994 18.969 17.959 16.965 15.986 15.020 151.356 136.841 124.323 113.400 103.769 95.197 87.507 80.558 74.240 68.463 63.151 58.246 53.694 49.454 45.488 38.261 36.914 35.597 34.309 33.047 31.812 30.602 29.415 28.251 27.110 25.989 24.889 23.808 22.746 21.701 20.674 19.663 18.669 17.689 16.725 15.774 99999.999 137.340 124.774 113.821 104.170 95.584 87.884 80.931 74.611 68.834 63.527 58.628 54.087 49.859 45.908 38.716 37.377 36.068 34.788 33.536 32.309 31.108 29.931 28.777 27.645 26.534 25.444 24.374 23.322 22.288 21.272 20.272 19.289 18.321 17.368 16.429 S2O4-2 S2O4(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 1.250 1 1.250 4 0.750 6 -1.000 2 16.419 14.719 13.185 11.801 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.419 14.719 13.185 11.801 10.544 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.419 14.719 13.185 11.802 10.544 9.391 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.420 14.720 13.186 11.802 10.545 9.392 8.322 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.422 14.721 13.186 11.803 10.546 9.392 8.323 7.320 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.424 14.722 13.188 11.804 10.547 9.394 8.325 7.323 6.372 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.428 14.725 13.190 11.806 10.549 9.396 8.327 7.326 6.376 5.461 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.433 14.729 13.193 11.809 10.552 9.400 8.331 7.330 6.381 5.468 4.571 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.441 14.734 13.197 11.813 10.556 9.404 8.336 7.336 6.389 5.478 4.585 3.684 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.451 14.740 13.203 11.818 10.561 9.410 8.343 7.345 6.399 5.491 4.602 3.710 2.779 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.463 14.749 13.209 11.825 10.568 9.417 8.352 7.355 6.412 5.507 4.624 3.742 2.828 1.826 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.479 14.759 13.218 11.833 10.577 9.426 8.363 7.368 6.428 5.528 4.652 3.780 2.888 1.925 0.736 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.491 14.767 13.225 11.839 10.583 9.434 8.371 7.378 6.440 5.543 4.672 3.809 2.930 1.994 0.874 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.508 14.778 13.234 11.848 10.592 9.443 8.382 7.391 6.456 5.564 4.700 3.848 2.988 2.084 1.039 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.524 14.789 13.243 11.856 10.600 9.453 8.393 7.404 6.473 5.584 4.727 3.885 3.041 2.166 1.180 -0.811 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.540 14.800 13.251 11.864 10.609 9.462 8.403 7.417 6.488 5.604 4.752 3.919 3.090 2.240 1.304 -0.266 -0.826 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.556 14.810 13.260 11.871 10.616 9.471 8.414 7.429 6.503 5.622 4.776 3.951 3.135 2.307 1.414 -0.079 -0.489 -0.983 -1.653 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.571 14.820 13.267 11.879 10.624 9.479 8.423 7.441 6.517 5.640 4.799 3.982 3.178 2.368 1.513 0.051 -0.312 -0.709 -1.166 -1.723 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.586 14.829 13.275 11.886 10.631 9.487 8.433 7.452 6.531 5.657 4.821 4.011 3.217 2.425 1.601 0.155 -0.183 -0.540 -0.925 -1.354 -1.849 -2.432 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.600 14.838 13.282 11.893 10.638 9.495 8.442 7.463 6.544 5.674 4.841 4.038 3.253 2.476 1.679 0.244 -0.078 -0.411 -0.761 -1.135 -1.543 -1.996 -2.506 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.614 14.847 13.289 11.899 10.645 9.502 8.451 7.473 6.557 5.689 4.861 4.063 3.287 2.523 1.749 0.322 0.013 -0.305 -0.633 -0.977 -1.340 -1.729 -2.151 -2.610 -3.109 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.627 14.856 13.296 11.905 10.652 9.510 8.459 7.483 6.569 5.705 4.880 4.088 3.319 2.566 1.811 0.393 0.093 -0.213 -0.527 -0.850 -1.186 -1.538 -1.911 -2.307 -2.730 -3.178 -3.648 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.641 14.864 13.303 11.911 10.658 9.517 8.467 7.493 6.581 5.719 4.898 4.111 3.349 2.605 1.867 0.457 0.164 -0.132 -0.434 -0.743 -1.061 -1.389 -1.731 -2.088 -2.463 -2.856 -3.266 -3.690 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.653 14.872 13.309 11.917 10.664 9.523 8.475 7.503 6.592 5.733 4.916 4.132 3.376 2.641 1.916 0.516 0.230 -0.059 -0.352 -0.649 -0.954 -1.265 -1.586 -1.918 -2.261 -2.617 -2.985 -3.364 -3.752 -4.144 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.666 14.880 13.315 11.923 10.670 9.530 8.483 7.512 6.603 5.747 4.933 4.153 3.402 2.674 1.959 0.571 0.290 0.008 -0.277 -0.566 -0.860 -1.159 -1.464 -1.777 -2.098 -2.429 -2.768 -3.115 -3.468 -3.827 -4.187 99999.999 99999.999 99999.999 99999.999 99999.999 16.678 14.887 13.321 11.928 10.675 9.536 8.490 7.520 6.614 5.760 4.949 4.173 3.427 2.704 1.998 0.622 0.347 0.070 -0.209 -0.491 -0.775 -1.064 -1.358 -1.657 -1.962 -2.273 -2.591 -2.915 -3.244 -3.576 -3.910 -4.243 -4.573 99999.999 99999.999 99999.999 16.690 14.894 13.326 11.933 10.680 9.542 8.497 7.529 6.624 5.772 4.964 4.192 3.450 2.732 2.033 0.671 0.399 0.127 -0.146 -0.421 -0.699 -0.980 -1.264 -1.552 -1.844 -2.141 -2.443 -2.749 -3.059 -3.371 -3.685 -3.998 -4.309 -4.616 99999.999 99999.999 16.701 14.901 13.332 11.938 10.686 9.548 8.504 7.537 6.634 5.785 4.979 4.210 3.471 2.758 2.065 0.716 0.449 0.181 -0.088 -0.357 -0.629 -0.902 -1.179 -1.458 -1.740 -2.026 -2.315 -2.607 -2.902 -3.199 -3.497 -3.795 -4.090 -4.382 -4.669 -4.950 16.712 14.908 13.337 11.943 10.690 9.553 8.510 7.545 6.644 5.796 4.993 4.227 3.492 2.783 2.095 0.759 0.495 0.231 -0.033 -0.298 -0.564 -0.831 -1.101 -1.372 -1.646 -1.923 -2.202 -2.483 -2.766 -3.051 -3.336 -3.621 -3.904 -4.184 -4.460 -4.731 16.808 14.962 13.376 11.979 10.728 9.597 8.563 7.610 6.724 5.895 5.114 4.373 3.666 2.990 2.339 1.098 0.858 0.620 0.383 0.148 -0.086 -0.319 -0.550 -0.781 -1.011 -1.240 -1.469 -1.696 -1.924 -2.150 -2.376 -2.601 -2.825 -3.048 -3.269 -3.488 16.879 14.997 13.399 11.998 10.750 9.624 8.598 7.655 6.781 5.967 5.202 4.480 3.795 3.141 2.516 1.336 1.109 0.886 0.664 0.445 0.228 0.013 -0.200 -0.412 -0.621 -0.830 -1.036 -1.242 -1.446 -1.649 -1.851 -2.051 -2.251 -2.449 -2.646 -2.842 16.931 15.015 13.407 12.005 10.759 9.637 8.618 7.683 6.820 6.018 5.267 4.560 3.892 3.257 2.651 1.515 1.298 1.084 0.873 0.665 0.459 0.256 0.054 -0.145 -0.342 -0.537 -0.730 -0.922 -1.112 -1.301 -1.488 -1.673 -1.858 -2.041 -2.223 -2.403 16.966 15.021 13.403 12.000 10.756 9.640 8.627 7.700 6.846 6.054 5.314 4.620 3.966 3.346 2.756 1.655 1.445 1.239 1.036 0.836 0.638 0.443 0.251 0.060 -0.128 -0.313 -0.497 -0.679 -0.859 -1.038 -1.215 -1.390 -1.564 -1.736 -1.907 -2.077 16.989 15.015 13.389 11.985 10.745 9.633 8.626 7.706 6.860 6.077 5.348 4.665 4.022 3.415 2.839 1.766 1.562 1.362 1.165 0.972 0.780 0.592 0.406 0.223 0.042 -0.136 -0.313 -0.488 -0.660 -0.831 -1.000 -1.167 -1.333 -1.498 -1.660 -1.822 17.001 15.000 13.367 11.963 10.725 9.618 8.617 7.704 6.866 6.090 5.370 4.696 4.064 3.468 2.903 1.855 1.657 1.462 1.270 1.081 0.896 0.713 0.533 0.355 0.180 0.007 -0.164 -0.333 -0.499 -0.664 -0.827 -0.988 -1.148 -1.306 -1.462 -1.617 17.004 14.978 13.338 11.933 10.699 9.597 8.601 7.695 6.863 6.095 5.383 4.718 4.095 3.508 2.953 1.926 1.732 1.542 1.355 1.171 0.989 0.811 0.636 0.463 0.292 0.124 -0.042 -0.206 -0.367 -0.527 -0.685 -0.841 -0.996 -1.149 -1.300 -1.450 99999.999 14.949 13.302 11.898 10.667 9.569 8.579 7.679 6.854 6.093 5.388 4.730 4.115 3.537 2.992 1.983 1.793 1.607 1.423 1.243 1.066 0.892 0.720 0.551 0.385 0.221 0.059 -0.101 -0.258 -0.414 -0.568 -0.720 -0.870 -1.019 -1.166 -1.312 S2O4-2 S2O4(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 2.000 1 2.000 4 -1.000 2 -1.500 31 130.493 118.456 108.014 98.887 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.493 118.456 108.014 98.887 90.831 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.495 118.458 108.016 98.888 90.832 83.654 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.498 118.461 108.018 98.890 90.834 83.657 77.203 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.503 118.465 108.023 98.895 90.839 83.661 77.207 71.353 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.512 118.473 108.030 98.901 90.845 83.668 77.214 71.360 66.004 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.525 118.484 108.040 98.911 90.855 83.677 77.224 71.371 66.016 61.069 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.544 118.501 108.055 98.926 90.869 83.692 77.239 71.387 66.033 61.089 56.469 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.569 118.523 108.076 98.946 90.888 83.711 77.259 71.408 66.056 61.116 56.502 52.128 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.604 118.553 108.104 98.972 90.914 83.737 77.285 71.436 66.087 61.151 56.545 52.186 47.969 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.648 118.592 108.140 99.006 90.948 83.770 77.320 71.473 66.127 61.197 56.601 52.259 48.076 43.889 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.705 118.642 108.186 99.050 90.990 83.813 77.364 71.519 66.178 61.254 56.670 52.349 48.204 44.104 39.637 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.750 118.681 108.221 99.084 91.023 83.846 77.398 71.555 66.217 61.298 56.722 52.415 48.297 44.251 39.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.812 118.735 108.271 99.131 91.070 83.893 77.446 71.605 66.271 61.359 56.794 52.506 48.421 44.441 40.345 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.875 118.789 108.321 99.179 91.116 83.939 77.492 71.654 66.324 61.418 56.864 52.593 48.537 44.611 40.641 31.196 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.936 118.843 108.370 99.225 91.161 83.984 77.539 71.703 66.376 61.476 56.931 52.676 48.646 44.766 40.894 33.349 31.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.997 118.896 108.419 99.272 91.206 84.029 77.584 71.750 66.427 61.533 56.996 52.754 48.747 44.907 41.116 34.005 32.295 30.312 27.871 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.057 118.948 108.467 99.317 91.251 84.073 77.629 71.797 66.477 61.587 57.059 52.830 48.843 45.037 41.313 34.406 32.883 31.253 29.448 27.389 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.117 119.000 108.515 99.362 91.294 84.116 77.673 71.843 66.526 61.641 57.119 52.902 48.933 45.158 41.490 34.703 33.272 31.791 30.230 28.549 26.710 24.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.177 119.052 108.562 99.407 91.338 84.159 77.716 71.888 66.574 61.693 57.178 52.971 49.019 45.269 41.650 34.943 33.570 32.171 30.730 29.229 27.644 25.954 24.151 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.235 119.103 108.608 99.451 91.380 84.201 77.759 71.932 66.621 61.744 57.236 53.038 49.100 45.372 41.794 35.147 33.813 32.467 31.099 29.699 28.252 26.746 25.169 23.518 21.803 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.294 119.153 108.655 99.494 91.422 84.243 77.802 71.976 66.667 61.794 57.291 53.102 49.176 45.469 41.924 35.326 34.021 32.712 31.394 30.058 28.697 27.300 25.861 24.375 22.840 21.265 19.662 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.351 119.203 108.700 99.537 91.464 84.284 77.843 72.019 66.712 61.843 57.346 53.164 49.249 45.558 42.043 35.487 34.203 32.923 31.640 30.349 29.045 27.722 26.373 24.994 23.583 22.142 20.676 19.196 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.409 119.252 108.745 99.580 91.505 84.325 77.884 72.061 66.757 61.891 57.398 53.223 49.319 45.642 42.150 35.633 34.367 33.109 31.853 30.596 29.333 28.061 26.774 25.470 24.145 22.800 21.436 20.060 18.678 17.300 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.465 119.301 108.790 99.622 91.546 84.365 77.925 72.103 66.801 61.938 57.450 53.281 49.385 45.721 42.249 35.767 34.516 33.276 32.041 30.811 29.580 28.345 27.104 25.853 24.590 23.315 22.028 20.731 19.430 18.130 16.838 99999.999 99999.999 99999.999 99999.999 99999.999 131.522 119.350 108.835 99.664 91.586 84.405 77.965 72.144 66.844 61.984 57.500 53.337 49.449 45.796 42.339 35.891 34.654 33.428 32.211 31.001 29.795 28.590 27.383 26.173 24.957 23.734 22.504 21.269 20.032 18.795 17.564 16.345 15.142 99999.999 99999.999 99999.999 131.578 119.398 108.878 99.705 91.626 84.444 78.004 72.185 66.886 62.030 57.550 53.392 49.511 45.866 42.423 36.008 34.781 33.568 32.366 31.173 29.987 28.806 27.626 26.447 25.267 24.085 22.900 21.713 20.526 19.340 18.160 16.989 15.832 14.693 99999.999 99999.999 131.633 119.446 108.922 99.746 91.666 84.483 78.043 72.225 66.928 62.074 57.598 53.445 49.570 45.934 42.501 36.118 34.900 33.698 32.509 31.331 30.161 28.999 27.842 26.688 25.537 24.387 23.237 22.088 20.941 19.797 18.659 17.529 16.411 15.308 14.223 13.161 131.688 119.493 108.965 99.787 91.705 84.521 78.082 72.264 66.969 62.118 57.645 53.496 49.627 45.999 42.576 36.221 35.012 33.820 32.641 31.476 30.321 29.174 28.036 26.903 25.775 24.651 23.529 22.411 21.297 20.187 19.083 17.988 16.903 15.832 14.776 13.740 132.216 119.946 109.377 100.173 92.076 84.885 78.445 72.633 67.351 62.519 58.074 53.961 50.135 46.562 43.207 37.045 35.887 34.751 33.636 32.540 31.462 30.401 29.356 28.326 27.311 26.309 25.320 24.344 23.379 22.427 21.485 20.555 19.636 18.727 17.831 16.945 132.710 120.367 109.757 100.529 92.416 85.216 78.773 72.963 67.689 62.871 58.443 54.353 50.557 47.018 43.704 37.649 36.517 35.409 34.323 33.259 32.215 31.190 30.184 29.195 28.223 27.267 26.326 25.401 24.489 23.591 22.706 21.834 20.974 20.126 19.290 18.466 133.177 120.763 110.114 100.860 92.731 85.522 79.074 73.265 67.995 63.185 58.770 54.696 50.921 47.406 44.120 38.135 37.019 35.929 34.861 33.816 32.792 31.788 30.804 29.839 28.891 27.960 27.046 26.148 25.264 24.395 23.541 22.699 21.871 21.055 20.252 19.460 133.623 121.137 110.449 101.172 93.027 85.807 79.354 73.543 68.275 63.470 59.064 55.003 51.242 47.745 44.480 38.545 37.441 36.362 35.307 34.275 33.265 32.275 31.306 30.356 29.424 28.510 27.612 26.732 25.866 25.016 24.180 23.359 22.550 21.755 20.972 20.201 134.051 121.494 110.768 101.466 93.305 86.076 79.616 73.802 68.534 63.733 59.333 55.280 51.531 48.047 44.798 38.901 37.806 36.736 35.690 34.667 33.667 32.688 31.729 30.790 29.869 28.967 28.082 27.213 26.360 25.523 24.701 23.892 23.098 22.317 21.548 20.792 134.465 121.837 111.072 101.746 93.570 86.329 79.863 74.045 68.777 63.977 59.581 55.535 51.794 48.321 45.085 39.217 38.128 37.065 36.026 35.011 34.018 33.047 32.096 31.165 30.253 29.359 28.483 27.623 26.780 25.952 25.140 24.341 23.557 22.786 22.028 21.282 134.866 122.167 111.364 102.014 93.822 86.570 80.097 74.275 69.005 64.206 59.813 55.771 52.037 48.572 45.345 39.501 38.417 37.360 36.326 35.317 34.330 33.365 32.420 31.496 30.590 29.703 28.834 27.981 27.145 26.325 25.519 24.729 23.952 23.189 22.438 21.700 99999.999 122.488 111.645 102.271 94.063 86.801 80.320 74.494 69.221 64.422 60.030 55.992 52.263 48.804 45.585 39.759 38.680 37.626 36.598 35.593 34.611 33.650 32.711 31.791 30.891 30.009 29.145 28.299 27.468 26.653 25.854 25.069 24.298 23.541 22.796 22.065 HS2O4- HS2O4(-1) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 4 2.250 1 1.250 4 0.750 6 -1.000 2 13.926 12.226 10.600 9.071 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.926 12.226 10.600 9.071 7.635 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.927 12.227 10.600 9.072 7.635 6.277 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.929 12.228 10.601 9.073 7.636 6.278 4.982 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.931 12.230 10.603 9.074 7.638 6.280 4.984 3.735 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.935 12.233 10.606 9.077 7.641 6.283 4.987 3.739 2.522 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.941 12.238 10.610 9.081 7.645 6.287 4.993 3.745 2.530 1.325 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.949 12.244 10.616 9.087 7.651 6.294 5.000 3.754 2.540 1.339 0.123 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.961 12.253 10.624 9.095 7.659 6.303 5.010 3.766 2.555 1.357 0.147 -1.114 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.976 12.265 10.635 9.106 7.670 6.315 5.024 3.782 2.574 1.382 0.180 -1.068 -2.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.996 12.281 10.649 9.119 7.685 6.330 5.042 3.803 2.599 1.413 0.221 -1.009 -2.329 -3.847 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.021 12.300 10.666 9.136 7.703 6.350 5.064 3.828 2.630 1.451 0.272 -0.937 -2.221 -3.664 -5.574 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.040 12.315 10.680 9.150 7.716 6.365 5.080 3.848 2.653 1.481 0.310 -0.885 -2.142 -3.537 -5.304 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.067 12.336 10.699 9.168 7.735 6.386 5.104 3.875 2.686 1.521 0.362 -0.813 -2.038 -3.372 -4.994 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.093 12.357 10.717 9.186 7.754 6.406 5.127 3.902 2.717 1.560 0.412 -0.745 -1.941 -3.223 -4.734 -8.384 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.119 12.377 10.735 9.204 7.772 6.426 5.149 3.927 2.748 1.597 0.460 -0.681 -1.851 -3.088 -4.507 -7.070 -8.154 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.144 12.397 10.753 9.221 7.790 6.445 5.170 3.952 2.778 1.633 0.505 -0.621 -1.767 -2.965 -4.307 -6.654 -7.373 -8.289 -9.576 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.169 12.416 10.770 9.238 7.807 6.464 5.191 3.977 2.806 1.668 0.549 -0.564 -1.689 -2.853 -4.128 -6.381 -6.988 -7.677 -8.501 -9.539 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.193 12.435 10.787 9.254 7.824 6.482 5.212 4.000 2.834 1.701 0.591 -0.510 -1.617 -2.750 -3.968 -6.169 -6.718 -7.314 -7.977 -8.738 -9.639 -10.714 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.217 12.453 10.803 9.270 7.841 6.500 5.232 4.023 2.861 1.734 0.631 -0.459 -1.549 -2.656 -3.826 -5.992 -6.505 -7.048 -7.632 -8.271 -8.985 -9.795 -10.720 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.240 12.471 10.819 9.286 7.857 6.517 5.251 4.046 2.887 1.765 0.669 -0.411 -1.486 -2.570 -3.698 -5.839 -6.326 -6.834 -7.369 -7.940 -8.557 -9.232 -9.977 -10.799 -11.698 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.263 12.488 10.835 9.301 7.873 6.534 5.270 4.067 2.913 1.795 0.706 -0.365 -1.426 -2.491 -3.585 -5.702 -6.169 -6.652 -7.155 -7.682 -8.240 -8.836 -9.477 -10.169 -10.916 -11.715 -12.558 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.285 12.505 10.850 9.316 7.888 6.551 5.289 4.089 2.937 1.825 0.741 -0.321 -1.371 -2.419 -3.484 -5.579 -6.030 -6.493 -6.971 -7.468 -7.986 -8.531 -9.107 -9.718 -10.367 -11.054 -11.778 -12.530 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.307 12.522 10.865 9.331 7.903 6.567 5.307 4.109 2.961 1.853 0.776 -0.279 -1.319 -2.352 -3.393 -5.466 -5.904 -6.351 -6.810 -7.283 -7.773 -8.282 -8.813 -9.369 -9.953 -10.565 -11.204 -11.867 -12.549 -13.243 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.328 12.539 10.880 9.345 7.918 6.583 5.325 4.129 2.985 1.881 0.809 -0.239 -1.270 -2.291 -3.313 -5.361 -5.788 -6.222 -6.666 -7.120 -7.588 -8.070 -8.568 -9.086 -9.623 -10.182 -10.761 -11.360 -11.974 -12.600 -13.231 99999.999 99999.999 99999.999 99999.999 99999.999 14.349 12.555 10.894 9.359 7.932 6.599 5.342 4.149 3.008 1.908 0.841 -0.201 -1.223 -2.234 -3.240 -5.264 -5.681 -6.104 -6.535 -6.974 -7.423 -7.884 -8.358 -8.846 -9.350 -9.869 -10.404 -10.955 -11.518 -12.091 -12.670 -13.251 -13.827 99999.999 99999.999 99999.999 14.369 12.570 10.908 9.373 7.947 6.614 5.359 4.168 3.030 1.934 0.871 -0.164 -1.179 -2.180 -3.174 -5.173 -5.581 -5.995 -6.414 -6.841 -7.275 -7.719 -8.173 -8.638 -9.115 -9.605 -10.107 -10.621 -11.145 -11.677 -12.215 -12.755 -13.294 -13.826 99999.999 99999.999 14.389 12.586 10.922 9.386 7.960 6.629 5.375 4.187 3.052 1.959 0.901 -0.129 -1.138 -2.130 -3.114 -5.087 -5.488 -5.893 -6.302 -6.718 -7.140 -7.570 -8.007 -8.454 -8.910 -9.376 -9.852 -10.337 -10.831 -11.331 -11.836 -12.344 -12.850 -13.353 -13.849 -14.334 14.409 12.601 10.935 9.399 7.974 6.643 5.391 4.205 3.073 1.984 0.930 -0.095 -1.097 -2.083 -3.057 -5.005 -5.399 -5.797 -6.198 -6.604 -7.016 -7.433 -7.857 -8.288 -8.727 -9.174 -9.629 -10.091 -10.560 -11.035 -11.513 -11.994 -12.475 -12.953 -13.425 -13.889 14.585 12.735 11.055 9.515 8.093 6.772 5.534 4.367 3.259 2.200 1.182 0.200 -0.754 -1.682 -2.591 -4.364 -4.714 -5.063 -5.412 -5.761 -6.111 -6.460 -6.810 -7.161 -7.512 -7.865 -8.219 -8.574 -8.929 -9.286 -9.642 -10.000 -10.357 -10.714 -11.069 -11.424 14.728 12.843 11.150 9.608 8.190 6.875 5.649 4.497 3.408 2.372 1.382 0.430 -0.488 -1.377 -2.241 -3.908 -4.233 -4.557 -4.878 -5.198 -5.517 -5.834 -6.150 -6.465 -6.779 -7.092 -7.405 -7.717 -8.029 -8.340 -8.651 -8.961 -9.271 -9.580 -9.888 -10.195 14.846 12.930 11.227 9.683 8.268 6.960 5.743 4.603 3.529 2.512 1.543 0.616 -0.275 -1.134 -1.965 -3.556 -3.865 -4.171 -4.474 -4.775 -5.074 -5.370 -5.665 -5.958 -6.249 -6.539 -6.828 -7.115 -7.401 -7.686 -7.969 -8.252 -8.534 -8.815 -9.095 -9.374 14.944 13.000 11.288 9.742 8.330 7.029 5.820 4.691 3.630 2.628 1.677 0.769 -0.099 -0.934 -1.739 -3.273 -3.569 -3.862 -4.151 -4.438 -4.723 -5.005 -5.285 -5.562 -5.837 -6.111 -6.383 -6.653 -6.921 -7.188 -7.453 -7.718 -7.980 -8.242 -8.503 -8.762 15.025 13.055 11.335 9.789 8.380 7.084 5.883 4.763 3.713 2.724 1.788 0.897 0.047 -0.768 -1.552 -3.038 -3.324 -3.607 -3.886 -4.163 -4.436 -4.707 -4.975 -5.241 -5.504 -5.765 -6.024 -6.282 -6.537 -6.791 -7.043 -7.293 -7.542 -7.790 -8.036 -8.281 15.093 13.099 11.371 9.825 8.419 7.129 5.935 4.823 3.783 2.805 1.881 1.005 0.170 -0.628 -1.394 -2.841 -3.119 -3.393 -3.664 -3.932 -4.196 -4.458 -4.717 -4.973 -5.227 -5.479 -5.728 -5.975 -6.221 -6.464 -6.706 -6.946 -7.184 -7.421 -7.656 -7.890 15.150 13.132 11.397 9.851 8.449 7.163 5.976 4.872 3.841 2.873 1.960 1.096 0.274 -0.509 -1.260 -2.674 -2.945 -3.212 -3.475 -3.736 -3.993 -4.247 -4.499 -4.747 -4.993 -5.237 -5.478 -5.718 -5.955 -6.190 -6.423 -6.655 -6.884 -7.113 -7.340 -7.565 99999.999 13.158 11.416 9.869 8.470 7.190 6.008 4.912 3.889 2.930 2.027 1.173 0.363 -0.408 -1.145 -2.530 -2.795 -3.056 -3.314 -3.568 -3.819 -4.067 -4.312 -4.554 -4.793 -5.031 -5.265 -5.498 -5.728 -5.956 -6.183 -6.407 -6.630 -6.852 -7.072 -7.290 HS2O4- HS2O4(-1) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 4 3.000 1 2.000 4 -1.000 2 -1.500 31 128.000 115.964 105.429 96.156 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.000 115.964 105.429 96.156 87.921 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.002 115.966 105.431 96.158 87.923 80.540 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.006 115.969 105.434 96.161 87.926 80.543 73.863 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.012 115.975 105.439 96.166 87.931 80.548 73.868 67.768 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.023 115.984 105.447 96.174 87.939 80.556 73.877 67.777 62.154 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.038 115.997 105.460 96.186 87.951 80.569 73.889 67.791 62.170 56.933 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.059 116.017 105.478 96.204 87.968 80.586 73.908 67.811 62.192 56.959 52.020 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.089 116.043 105.503 96.228 87.992 80.610 73.933 67.838 62.222 56.995 52.065 47.330 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.129 116.078 105.536 96.259 88.023 80.642 73.966 67.874 62.263 57.042 52.123 47.409 42.771 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.181 116.124 105.579 96.301 88.064 80.684 74.010 67.921 62.315 57.102 52.198 47.508 42.919 38.215 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.247 116.183 105.634 96.354 88.116 80.737 74.065 67.980 62.380 57.178 52.290 47.631 43.096 38.515 33.327 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.299 116.229 105.676 96.394 88.156 80.777 74.107 68.025 62.430 57.235 52.360 47.721 43.224 38.720 33.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.371 116.293 105.736 96.452 88.213 80.835 74.167 68.089 62.501 57.316 52.457 47.845 43.396 38.985 34.312 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.444 116.357 105.795 96.509 88.270 80.892 74.226 68.152 62.569 57.394 52.550 47.963 43.556 39.223 34.727 23.622 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.515 116.420 105.854 96.565 88.325 80.948 74.284 68.213 62.636 57.470 52.639 48.075 43.705 39.438 35.083 26.544 23.723 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.586 116.483 105.912 96.621 88.380 81.003 74.341 68.274 62.702 57.543 52.725 48.182 43.845 39.635 35.395 27.431 25.411 23.006 19.947 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.656 116.544 105.970 96.676 88.434 81.057 74.397 68.333 62.766 57.615 52.809 48.283 43.976 39.816 35.673 27.974 26.207 24.285 22.113 19.573 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.725 116.606 106.026 96.730 88.487 81.111 74.452 68.391 62.829 57.685 52.890 48.381 44.100 39.983 35.922 28.379 26.737 25.017 23.178 21.165 18.920 16.409 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.794 116.666 106.083 96.784 88.540 81.164 74.507 68.448 62.891 57.753 52.968 48.474 44.217 40.137 36.145 28.707 27.142 25.534 23.860 22.094 20.202 18.155 15.937 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.862 116.726 106.138 96.837 88.592 81.216 74.560 68.504 62.951 57.820 53.044 48.563 44.327 40.279 36.347 28.986 27.474 25.938 24.363 22.735 21.035 19.243 17.343 15.330 13.214 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.929 116.785 106.193 96.890 88.644 81.268 74.613 68.560 63.010 57.885 53.117 48.649 44.431 40.412 36.528 29.231 27.759 26.273 24.766 23.226 21.642 20.003 18.295 16.512 14.654 12.728 10.752 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.996 116.844 106.248 96.942 88.694 81.318 74.665 68.614 63.069 57.949 53.189 48.732 44.530 40.535 36.693 29.451 28.009 26.562 25.103 23.625 22.120 20.580 18.997 17.364 15.679 13.943 12.164 10.355 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.062 116.903 106.302 96.993 88.745 81.369 74.716 68.668 63.126 58.011 53.258 48.812 44.624 40.650 36.842 29.650 28.233 26.816 25.394 23.962 22.514 21.045 19.547 18.018 16.453 14.852 13.217 11.557 9.880 8.201 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.128 116.960 106.355 97.044 88.795 81.418 74.767 68.721 63.182 58.072 53.326 48.889 44.713 40.757 36.977 29.834 28.438 27.045 25.653 24.256 22.852 21.434 19.999 18.544 17.065 15.562 14.034 12.486 10.925 9.357 7.794 99999.999 99999.999 99999.999 99999.999 99999.999 129.193 117.017 106.408 97.095 88.844 81.467 74.817 68.773 63.237 58.132 53.392 48.963 44.799 40.858 37.101 30.005 28.626 27.254 25.886 24.518 23.147 21.770 20.383 18.984 17.569 16.138 14.691 13.230 11.757 10.280 8.804 7.337 5.888 99999.999 99999.999 99999.999 129.257 117.074 106.460 97.145 88.892 81.516 74.866 68.824 63.292 58.191 53.457 49.036 44.882 40.954 37.215 30.165 28.801 27.446 26.098 24.754 23.411 22.066 20.717 19.361 17.996 16.621 15.236 13.841 12.440 11.034 9.630 8.232 6.848 5.483 99999.999 99999.999 129.321 117.130 106.512 97.194 88.941 81.564 74.915 68.874 63.345 58.249 53.520 49.106 44.961 41.045 37.322 30.315 28.964 27.625 26.294 24.970 23.650 22.332 21.013 19.692 18.367 17.036 15.700 14.358 13.012 11.665 10.319 8.980 7.650 6.337 5.044 3.777 129.385 117.186 106.564 97.243 88.988 81.611 74.963 68.924 63.398 58.305 53.582 49.175 45.038 41.133 37.424 30.457 29.118 27.792 26.476 25.169 23.869 22.573 21.280 19.987 18.694 17.399 16.102 14.803 13.503 12.203 10.906 9.614 8.332 7.063 5.812 4.582 129.993 117.719 107.055 97.709 89.441 82.059 75.416 69.390 63.885 58.824 54.143 49.788 45.716 41.889 38.277 31.583 30.316 29.069 27.841 26.631 25.437 24.259 23.096 21.946 20.809 19.684 18.570 17.467 16.374 15.291 14.219 13.156 12.104 11.062 10.030 9.010 130.559 118.213 107.509 98.139 89.856 82.468 75.824 69.806 64.316 59.276 54.623 50.304 46.274 42.499 38.946 32.405 31.174 29.967 28.781 27.616 26.470 25.343 24.234 23.142 22.065 21.004 19.958 18.925 17.906 16.900 15.906 14.924 13.954 12.996 12.048 11.112 131.093 118.677 107.934 98.539 90.241 82.845 76.199 70.184 64.704 59.679 55.046 50.752 46.754 43.015 39.504 33.063 31.857 30.674 29.514 28.376 27.259 26.163 25.085 24.025 22.983 21.958 20.949 19.955 18.976 18.011 17.059 16.121 15.195 14.281 13.380 12.490 131.601 119.116 108.334 98.915 90.601 83.196 76.547 70.534 65.059 60.044 55.426 51.152 47.177 43.465 39.984 33.617 32.427 31.262 30.120 29.001 27.904 26.827 25.771 24.733 23.714 22.712 21.727 20.758 19.805 18.866 17.941 17.031 16.133 15.249 14.376 13.516 132.087 119.534 108.713 99.270 90.941 83.527 76.873 70.859 65.387 60.380 55.773 51.513 47.556 43.864 40.408 34.097 32.919 31.766 30.638 29.533 28.450 27.389 26.348 25.326 24.323 23.338 22.370 21.419 20.483 19.563 18.658 17.767 16.889 16.024 15.172 14.332 132.557 119.935 109.076 99.608 91.264 83.840 77.180 71.164 65.694 60.692 56.093 51.843 47.900 44.225 40.788 34.520 33.352 32.210 31.092 29.998 28.926 27.876 26.846 25.837 24.846 23.874 22.919 21.981 21.059 20.152 19.261 18.384 17.521 16.671 15.834 15.009 133.012 120.322 109.423 99.931 91.571 84.137 77.472 71.453 65.983 60.984 56.390 52.149 48.217 44.555 41.132 34.900 33.740 32.606 31.496 30.411 29.347 28.306 27.286 26.286 25.305 24.342 23.397 22.469 21.558 20.662 19.781 18.915 18.063 17.224 16.399 15.585 99999.999 120.697 109.758 100.242 91.866 84.421 77.749 71.727 66.256 61.259 56.669 52.435 48.510 44.859 41.448 35.245 34.091 32.964 31.861 30.782 29.726 28.692 27.679 26.686 25.713 24.758 23.821 22.901 21.998 21.111 20.239 19.381 18.538 17.708 16.891 16.086 H2S2O4,aq H2S2O4(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 3.250 1 1.250 4 0.750 6 -1.000 2 13.793 11.860 10.001 8.248 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.793 11.860 10.001 8.248 6.594 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.794 11.861 10.002 8.249 6.595 5.025 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.796 11.862 10.003 8.250 6.597 5.026 3.521 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.799 11.865 10.006 8.253 6.599 5.029 3.524 2.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.804 11.870 10.010 8.257 6.604 5.034 3.529 2.070 0.636 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.812 11.876 10.016 8.263 6.610 5.041 3.537 2.079 0.647 -0.786 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.824 11.886 10.025 8.272 6.619 5.051 3.548 2.092 0.662 -0.767 -2.234 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.839 11.899 10.037 8.284 6.632 5.064 3.563 2.109 0.683 -0.740 -2.198 -3.746 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.860 11.916 10.053 8.300 6.648 5.082 3.583 2.132 0.711 -0.706 -2.152 -3.679 -5.379 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.887 11.939 10.074 8.320 6.669 5.105 3.609 2.162 0.747 -0.661 -2.093 -3.596 -5.247 -7.231 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.921 11.967 10.100 8.346 6.696 5.134 3.641 2.200 0.791 -0.606 -2.020 -3.493 -5.091 -6.952 -9.614 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.948 11.989 10.120 8.366 6.717 5.156 3.666 2.228 0.825 -0.564 -1.966 -3.418 -4.979 -6.763 -9.152 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.985 12.020 10.149 8.394 6.746 5.187 3.701 2.268 0.872 -0.506 -1.891 -3.316 -4.829 -6.522 -8.663 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.021 12.050 10.177 8.422 6.775 5.218 3.735 2.307 0.918 -0.450 -1.820 -3.220 -4.691 -6.307 -8.273 -15.131 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.056 12.079 10.204 8.449 6.802 5.248 3.768 2.345 0.963 -0.397 -1.752 -3.130 -4.564 -6.115 -7.942 -12.079 -14.137 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.091 12.108 10.231 8.476 6.830 5.277 3.800 2.382 1.006 -0.345 -1.687 -3.044 -4.445 -5.940 -7.655 -11.174 -12.390 -14.028 -16.354 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.126 12.137 10.258 8.502 6.857 5.306 3.832 2.418 1.047 -0.294 -1.625 -2.963 -4.335 -5.781 -7.401 -10.632 -11.582 -12.716 -14.130 -15.938 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.159 12.165 10.284 8.527 6.883 5.334 3.863 2.453 1.088 -0.246 -1.565 -2.887 -4.232 -5.636 -7.176 -10.236 -11.055 -11.978 -13.045 -14.312 -15.834 -17.639 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.192 12.192 10.309 8.552 6.909 5.361 3.893 2.487 1.128 -0.199 -1.508 -2.814 -4.136 -5.503 -6.975 -9.920 -10.659 -11.465 -12.360 -13.372 -14.531 -15.866 -17.390 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.225 12.219 10.334 8.577 6.934 5.388 3.923 2.520 1.166 -0.153 -1.452 -2.745 -4.046 -5.381 -6.795 -9.655 -10.338 -11.070 -11.862 -12.729 -13.691 -14.766 -15.967 -17.298 -18.747 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.256 12.246 10.359 8.601 6.959 5.415 3.952 2.553 1.204 -0.109 -1.399 -2.679 -3.962 -5.268 -6.634 -9.424 -10.067 -10.746 -11.469 -12.245 -13.086 -14.003 -15.007 -16.105 -17.295 -18.568 -19.903 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.288 12.272 10.383 8.625 6.983 5.441 3.980 2.585 1.240 -0.066 -1.348 -2.616 -3.882 -5.164 -6.490 -9.220 -9.831 -10.470 -11.143 -11.855 -12.615 -13.429 -14.305 -15.249 -16.263 -17.344 -18.483 -19.665 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.318 12.298 10.406 8.648 7.007 5.466 4.008 2.616 1.276 -0.025 -1.298 -2.555 -3.808 -5.069 -6.361 -9.036 -9.622 -10.230 -10.864 -11.529 -12.230 -12.971 -13.759 -14.598 -15.489 -16.433 -17.425 -18.459 -19.522 -20.601 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.349 12.323 10.430 8.671 7.030 5.491 4.035 2.646 1.311 0.016 -1.250 -2.498 -3.737 -4.980 -6.244 -8.868 -9.433 -10.015 -10.619 -11.247 -11.903 -12.592 -13.315 -14.077 -14.880 -15.724 -16.608 -17.527 -18.474 -19.441 -20.417 99999.999 99999.999 99999.999 99999.999 99999.999 14.378 12.347 10.453 8.693 7.053 5.515 4.061 2.676 1.345 0.055 -1.204 -2.442 -3.670 -4.897 -6.138 -8.713 -9.260 -9.822 -10.400 -10.999 -11.620 -12.267 -12.941 -13.646 -14.383 -15.153 -15.954 -16.785 -17.642 -18.517 -19.405 -20.296 -21.182 99999.999 99999.999 99999.999 14.407 12.372 10.475 8.715 7.076 5.539 4.088 2.705 1.378 0.094 -1.159 -2.389 -3.606 -4.820 -6.042 -8.569 -9.101 -9.645 -10.203 -10.777 -11.369 -11.983 -12.619 -13.279 -13.965 -14.677 -15.415 -16.178 -16.962 -17.765 -18.579 -19.400 -20.221 -21.034 99999.999 99999.999 14.436 12.396 10.497 8.737 7.098 5.563 4.113 2.734 1.411 0.131 -1.115 -2.338 -3.545 -4.746 -5.952 -8.435 -8.953 -9.481 -10.022 -10.575 -11.144 -11.730 -12.335 -12.959 -13.604 -14.271 -14.959 -15.668 -16.395 -17.138 -17.893 -18.655 -19.419 -20.179 -20.932 -21.670 14.464 12.419 10.519 8.758 7.120 5.586 4.138 2.762 1.442 0.168 -1.073 -2.288 -3.486 -4.676 -5.868 -8.309 -8.815 -9.330 -9.855 -10.391 -10.940 -11.503 -12.081 -12.676 -13.288 -13.918 -14.566 -15.231 -15.911 -16.606 -17.311 -18.023 -18.739 -19.455 -20.164 -20.864 14.720 12.633 10.717 8.953 7.319 5.796 4.366 3.014 1.726 0.491 -0.700 -1.856 -2.985 -4.091 -5.181 -7.341 -7.773 -8.206 -8.641 -9.078 -9.517 -9.959 -10.405 -10.854 -11.306 -11.762 -12.222 -12.686 -13.154 -13.625 -14.100 -14.577 -15.056 -15.538 -16.020 -16.502 14.938 12.816 10.887 9.120 7.489 5.975 4.558 3.225 1.961 0.756 -0.399 -1.513 -2.593 -3.643 -4.670 -6.668 -7.062 -7.455 -7.846 -8.237 -8.627 -9.017 -9.406 -9.796 -10.187 -10.577 -10.969 -11.360 -11.753 -12.146 -12.540 -12.934 -13.329 -13.724 -14.120 -14.515 15.124 12.972 11.032 9.263 7.636 6.129 4.724 3.405 2.161 0.979 -0.149 -1.231 -2.274 -3.283 -4.263 -6.153 -6.521 -6.888 -7.252 -7.614 -7.974 -8.333 -8.690 -9.046 -9.400 -9.754 -10.107 -10.459 -10.811 -11.162 -11.512 -11.863 -12.212 -12.561 -12.910 -13.258 15.286 13.108 11.158 9.387 7.763 6.263 4.867 3.561 2.332 1.169 0.064 -0.992 -2.006 -2.983 -3.928 -5.736 -6.087 -6.435 -6.779 -7.121 -7.461 -7.798 -8.133 -8.465 -8.796 -9.126 -9.453 -9.780 -10.105 -10.428 -10.751 -11.073 -11.393 -11.713 -12.031 -12.349 15.428 13.226 11.268 9.496 7.874 6.380 4.992 3.697 2.481 1.334 0.247 -0.788 -1.778 -2.729 -3.645 -5.390 -5.726 -6.060 -6.390 -6.716 -7.040 -7.361 -7.679 -7.995 -8.309 -8.621 -8.930 -9.238 -9.544 -9.848 -10.151 -10.452 -10.752 -11.051 -11.349 -11.645 15.554 13.330 11.364 9.590 7.972 6.483 5.103 3.817 2.613 1.479 0.407 -0.610 -1.581 -2.510 -3.402 -5.095 -5.420 -5.742 -6.060 -6.375 -6.687 -6.995 -7.301 -7.604 -7.904 -8.202 -8.497 -8.791 -9.082 -9.372 -9.660 -9.946 -10.231 -10.514 -10.796 -11.077 15.666 13.421 11.447 9.673 8.057 6.573 5.200 3.923 2.729 1.607 0.548 -0.454 -1.408 -2.319 -3.191 -4.840 -5.157 -5.469 -5.778 -6.083 -6.384 -6.682 -6.978 -7.270 -7.560 -7.847 -8.131 -8.414 -8.694 -8.972 -9.248 -9.523 -9.796 -10.067 -10.337 -10.605 99999.999 13.503 11.521 9.745 8.133 6.653 5.287 4.017 2.832 1.720 0.674 -0.316 -1.255 -2.150 -3.006 -4.618 -4.927 -5.231 -5.532 -5.828 -6.122 -6.412 -6.698 -6.982 -7.263 -7.541 -7.816 -8.090 -8.361 -8.630 -8.897 -9.162 -9.425 -9.687 -9.947 -10.206 H2S2O4,aq H2S2O4(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 4.000 1 2.000 4 -1.000 2 -1.500 31 127.867 115.598 104.830 95.333 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 127.867 115.598 104.830 95.333 86.881 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 127.869 115.600 104.832 95.335 86.883 79.288 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 127.873 115.603 104.836 95.339 86.886 79.292 72.402 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 127.881 115.610 104.842 95.345 86.892 79.298 72.408 66.097 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 127.892 115.620 104.852 95.354 86.902 79.307 72.418 66.108 60.268 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 127.909 115.636 104.866 95.368 86.916 79.322 72.434 66.124 60.287 54.822 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 127.934 115.658 104.887 95.388 86.936 79.343 72.455 66.148 60.314 54.854 49.664 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 127.968 115.689 104.916 95.416 86.964 79.371 72.485 66.181 60.351 54.897 49.719 44.698 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.013 115.729 104.954 95.453 87.001 79.409 72.525 66.224 60.399 54.955 49.792 44.797 39.811 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.072 115.782 105.004 95.502 87.049 79.458 72.577 66.280 60.462 55.028 49.884 44.922 40.000 34.831 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.148 115.850 105.068 95.563 87.110 79.521 72.643 66.351 60.542 55.121 49.998 45.075 40.225 35.226 29.287 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.206 115.902 105.117 95.611 87.157 79.569 72.693 66.405 60.602 55.191 50.084 45.188 40.388 35.494 29.952 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.289 115.976 105.186 95.678 87.224 79.637 72.764 66.482 60.687 55.289 50.203 45.342 40.605 35.835 30.643 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.371 116.050 105.255 95.745 87.290 79.704 72.834 66.557 60.770 55.384 50.317 45.488 40.806 36.138 31.188 16.876 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.452 116.123 105.324 95.811 87.355 79.770 72.903 66.631 60.851 55.476 50.427 45.627 40.992 36.412 31.648 21.535 17.740 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.533 116.195 105.391 95.876 87.420 79.835 72.971 66.703 60.930 55.566 50.533 45.759 41.167 36.660 32.047 22.911 20.394 17.267 13.170 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.612 116.266 105.458 95.940 87.483 79.900 73.037 66.774 61.007 55.653 50.635 45.884 41.330 36.888 32.400 23.723 21.613 19.246 16.484 13.173 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.691 116.336 105.523 96.003 87.546 79.963 73.103 66.843 61.083 55.738 50.734 46.004 41.484 37.097 32.714 24.311 22.400 20.353 18.109 15.591 12.725 9.483 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.769 116.406 105.589 96.066 87.608 80.025 73.168 66.912 61.157 55.821 50.829 46.119 41.629 37.290 32.996 24.779 22.988 21.117 19.132 16.993 14.656 12.084 9.267 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.846 116.475 105.653 96.128 87.669 80.087 73.231 66.979 61.230 55.902 50.922 46.230 41.766 37.469 33.250 25.170 23.462 21.702 19.871 17.946 15.901 13.709 11.353 8.830 6.165 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.923 116.543 105.717 96.190 87.730 80.148 73.294 67.045 61.302 55.981 51.012 46.336 41.895 37.635 33.479 25.509 23.861 22.179 20.452 18.663 16.797 14.836 12.765 10.577 8.275 5.875 3.407 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 128.999 116.611 105.780 96.251 87.789 80.208 73.356 67.110 61.372 56.058 51.099 46.437 42.018 37.789 33.686 25.810 24.208 22.584 20.931 19.237 17.491 15.682 13.798 11.833 9.783 7.654 5.459 3.220 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.074 116.678 105.843 96.311 87.848 80.268 73.417 67.174 61.441 56.133 51.184 46.536 42.135 37.933 33.874 26.081 24.516 22.938 21.341 19.717 18.057 16.355 14.601 12.789 10.917 8.983 6.996 4.965 2.908 0.843 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.148 116.744 105.905 96.370 87.907 80.326 73.477 67.238 61.508 56.207 51.267 46.630 42.246 38.068 34.046 26.328 24.793 23.252 21.700 20.130 18.536 16.912 15.253 13.552 11.808 10.019 8.187 6.319 4.424 2.515 0.607 99999.999 99999.999 99999.999 99999.999 99999.999 129.222 116.810 105.966 96.429 87.965 80.384 73.537 67.300 61.575 56.280 51.348 46.722 42.353 38.195 34.203 26.556 25.047 23.537 22.020 20.493 18.950 17.387 15.800 14.184 12.536 10.855 9.141 7.399 5.634 3.854 2.069 0.292 -1.467 99999.999 99999.999 99999.999 129.295 116.875 106.027 96.487 88.022 80.442 73.595 67.361 61.640 56.351 51.427 46.811 42.455 38.315 34.348 26.768 25.281 23.796 22.310 20.818 19.317 17.803 16.272 14.720 13.147 11.549 9.928 8.284 6.622 4.947 3.266 1.588 -0.079 -1.725 99999.999 99999.999 129.368 116.940 106.087 96.545 88.079 80.498 73.653 67.421 61.704 56.421 51.504 46.897 42.554 38.429 34.484 26.966 25.499 24.036 22.575 21.113 19.646 18.171 16.686 15.187 13.673 12.141 10.593 9.027 7.448 5.858 4.263 2.669 1.082 -0.489 -2.039 -3.559 129.440 117.004 106.147 96.602 88.135 80.554 73.710 67.481 61.768 56.489 51.579 46.982 42.649 38.539 34.613 27.153 25.702 24.259 22.820 21.383 19.945 18.503 17.056 15.600 14.133 12.655 11.165 9.664 8.152 6.632 5.108 3.585 2.067 0.561 -0.928 -2.393 130.128 117.617 106.717 97.147 88.667 81.084 74.248 68.037 62.353 57.116 52.260 47.732 43.485 39.481 35.686 28.606 27.257 25.926 24.612 23.314 22.031 20.760 19.501 18.253 17.015 15.787 14.566 13.354 12.149 10.952 9.762 8.579 7.404 6.238 5.080 3.932 130.769 118.186 107.245 97.650 89.155 81.567 74.734 68.534 62.869 57.661 52.842 48.360 44.169 40.233 36.518 29.644 28.345 27.069 25.813 24.577 23.360 22.160 20.977 19.810 18.658 17.519 16.394 15.282 14.182 13.094 12.017 10.951 9.896 8.851 7.817 6.792 131.371 118.720 107.739 98.119 89.609 82.014 75.180 68.986 63.335 58.146 53.354 48.905 44.755 40.866 37.206 30.467 29.200 27.957 26.736 25.537 24.359 23.200 22.060 20.938 19.832 18.743 17.669 16.610 15.565 14.534 13.516 12.510 11.517 10.535 9.565 8.605 131.942 119.224 108.205 98.559 90.034 82.430 75.594 69.404 63.761 58.586 53.814 49.390 45.270 41.416 37.796 31.154 29.909 28.688 27.492 26.318 25.166 24.035 22.923 21.830 20.755 19.697 18.656 17.631 16.621 15.625 14.644 13.676 12.721 11.778 10.848 9.929 132.490 119.705 108.646 98.977 90.435 82.822 75.983 69.793 64.155 58.990 54.233 49.828 45.731 41.904 38.315 31.746 30.517 29.314 28.135 26.980 25.846 24.735 23.643 22.571 21.518 20.483 19.464 18.463 17.477 16.506 15.550 14.607 13.679 12.763 11.860 10.968 133.018 120.166 109.068 99.374 90.816 83.194 76.349 70.158 64.524 59.366 54.619 50.229 46.150 42.344 38.779 32.267 31.051 29.861 28.696 27.555 26.436 25.339 24.263 23.207 22.169 21.151 20.150 19.165 18.197 17.244 16.307 15.383 14.474 13.577 12.694 11.822 133.529 120.611 109.473 99.753 91.180 83.547 76.696 70.504 64.871 59.718 54.979 50.600 46.535 42.746 39.200 32.734 31.528 30.349 29.194 28.064 26.956 25.871 24.807 23.763 22.738 21.732 20.744 19.773 18.819 17.880 16.956 16.047 15.152 14.270 13.401 12.545 99999.999 121.042 109.863 100.118 91.528 83.885 77.028 70.832 65.200 60.050 55.316 50.946 46.892 43.116 39.587 33.157 31.960 30.788 29.643 28.521 27.423 26.347 25.292 24.258 23.244 22.248 21.270 20.309 19.366 18.438 17.525 16.627 15.743 14.872 14.015 13.170 S2O5-2 S2O5(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 1.500 1 1.500 4 0.500 6 -1.000 2 16.283 14.497 12.872 11.401 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.283 14.497 12.872 11.401 10.059 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.284 14.497 12.873 11.401 10.060 8.826 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.285 14.498 12.874 11.402 10.061 8.826 7.679 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.287 14.500 12.875 11.403 10.062 8.828 7.680 6.601 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.291 14.502 12.877 11.405 10.064 8.830 7.683 6.604 5.577 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.296 14.506 12.880 11.408 10.067 8.833 7.686 6.608 5.582 4.590 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.303 14.511 12.885 11.413 10.071 8.838 7.692 6.614 5.590 4.599 3.622 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.313 14.519 12.891 11.419 10.077 8.844 7.699 6.623 5.600 4.612 3.638 2.650 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.327 14.528 12.899 11.426 10.085 8.853 7.708 6.634 5.613 4.628 3.660 2.682 1.652 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.344 14.541 12.910 11.436 10.095 8.864 7.720 6.648 5.630 4.649 3.688 2.721 1.712 0.591 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.366 14.557 12.923 11.449 10.108 8.877 7.736 6.665 5.651 4.676 3.722 2.769 1.784 0.710 -0.643 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.382 14.569 12.934 11.459 10.118 8.887 7.747 6.679 5.666 4.695 3.748 2.804 1.836 0.794 -0.474 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.406 14.585 12.948 11.472 10.131 8.902 7.763 6.697 5.689 4.722 3.783 2.852 1.905 0.902 -0.275 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.428 14.602 12.962 11.485 10.144 8.916 7.779 6.715 5.710 4.749 3.816 2.897 1.970 1.001 -0.105 -2.454 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.451 14.618 12.975 11.498 10.157 8.929 7.794 6.733 5.730 4.774 3.848 2.940 2.030 1.090 0.044 -1.740 -2.415 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.473 14.633 12.988 11.510 10.169 8.943 7.808 6.749 5.750 4.798 3.879 2.980 2.086 1.172 0.177 -1.502 -1.979 -2.565 -3.370 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.494 14.648 13.001 11.522 10.181 8.955 7.823 6.766 5.769 4.821 3.908 3.018 2.137 1.246 0.295 -1.339 -1.755 -2.216 -2.752 -3.414 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.515 14.663 13.013 11.533 10.193 8.968 7.836 6.781 5.788 4.843 3.936 3.054 2.186 1.314 0.401 -1.209 -1.593 -2.002 -2.447 -2.949 -3.533 -4.223 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.535 14.677 13.025 11.544 10.204 8.980 7.850 6.797 5.806 4.865 3.962 3.088 2.231 1.377 0.496 -1.099 -1.462 -1.841 -2.242 -2.674 -3.148 -3.679 -4.279 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.555 14.691 13.037 11.555 10.215 8.991 7.863 6.811 5.823 4.886 3.988 3.120 2.273 1.434 0.580 -1.003 -1.351 -1.710 -2.083 -2.476 -2.894 -3.345 -3.836 -4.375 -4.961 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.574 14.705 13.048 11.566 10.226 9.003 7.875 6.826 5.840 4.906 4.012 3.151 2.312 1.486 0.655 -0.916 -1.253 -1.597 -1.951 -2.318 -2.702 -3.107 -3.538 -3.998 -4.491 -5.015 -5.566 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.593 14.718 13.059 11.576 10.236 9.013 7.887 6.840 5.856 4.925 4.036 3.180 2.349 1.534 0.722 -0.838 -1.164 -1.497 -1.837 -2.186 -2.547 -2.922 -3.314 -3.726 -4.160 -4.616 -5.094 -5.588 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.612 14.731 13.070 11.586 10.246 9.024 7.899 6.853 5.872 4.944 4.058 3.207 2.383 1.578 0.782 -0.765 -1.084 -1.407 -1.736 -2.071 -2.415 -2.769 -3.135 -3.514 -3.909 -4.320 -4.746 -5.187 -5.637 -6.094 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.630 14.743 13.080 11.596 10.256 9.034 7.910 6.866 5.887 4.962 4.080 3.233 2.415 1.619 0.835 -0.698 -1.010 -1.325 -1.644 -1.969 -2.299 -2.637 -2.984 -3.341 -3.708 -4.087 -4.477 -4.878 -5.288 -5.703 -6.121 99999.999 99999.999 99999.999 99999.999 99999.999 16.647 14.755 13.090 11.605 10.265 9.044 7.921 6.879 5.902 4.979 4.101 3.259 2.446 1.656 0.883 -0.635 -0.941 -1.250 -1.561 -1.876 -2.196 -2.522 -2.854 -3.193 -3.540 -3.896 -4.260 -4.632 -5.010 -5.394 -5.780 -6.165 -6.547 99999.999 99999.999 99999.999 16.665 14.767 13.100 11.614 10.274 9.054 7.932 6.891 5.916 4.996 4.121 3.283 2.475 1.691 0.926 -0.576 -0.877 -1.179 -1.484 -1.792 -2.103 -2.418 -2.738 -3.064 -3.395 -3.733 -4.077 -4.427 -4.782 -5.141 -5.502 -5.863 -6.222 -6.576 99999.999 99999.999 16.682 14.779 13.110 11.623 10.283 9.063 7.943 6.903 5.930 5.013 4.140 3.306 2.502 1.724 0.965 -0.520 -0.817 -1.114 -1.413 -1.713 -2.017 -2.323 -2.634 -2.948 -3.267 -3.591 -3.920 -4.252 -4.589 -4.929 -5.270 -5.612 -5.952 -6.288 -6.618 -6.941 16.698 14.790 13.119 11.631 10.292 9.073 7.953 6.915 5.944 5.029 4.159 3.328 2.529 1.755 1.002 -0.468 -0.760 -1.052 -1.346 -1.640 -1.937 -2.237 -2.539 -2.844 -3.153 -3.465 -3.781 -4.100 -4.422 -4.747 -5.072 -5.398 -5.722 -6.044 -6.360 -6.671 16.845 14.887 13.197 11.703 10.364 9.150 8.039 7.014 6.060 5.165 4.320 3.517 2.751 2.015 1.306 -0.051 -0.315 -0.577 -0.837 -1.096 -1.354 -1.611 -1.867 -2.123 -2.378 -2.632 -2.886 -3.140 -3.394 -3.647 -3.899 -4.151 -4.402 -4.651 -4.900 -5.146 16.962 14.960 13.254 11.755 10.416 9.207 8.103 7.088 6.147 5.268 4.442 3.661 2.918 2.209 1.530 0.243 -0.004 -0.249 -0.492 -0.732 -0.970 -1.206 -1.440 -1.672 -1.903 -2.133 -2.361 -2.588 -2.814 -3.038 -3.261 -3.484 -3.705 -3.925 -4.144 -4.362 17.056 15.013 13.293 11.790 10.452 9.247 8.150 7.144 6.213 5.347 4.536 3.772 3.048 2.360 1.703 0.467 0.231 -0.002 -0.233 -0.460 -0.685 -0.907 -1.128 -1.346 -1.561 -1.776 -1.988 -2.198 -2.407 -2.615 -2.821 -3.025 -3.229 -3.431 -3.631 -3.831 17.131 15.051 13.318 11.811 10.474 9.273 8.182 7.184 6.263 5.408 4.609 3.859 3.151 2.480 1.840 0.645 0.417 0.192 -0.029 -0.247 -0.462 -0.675 -0.885 -1.093 -1.298 -1.501 -1.702 -1.901 -2.099 -2.294 -2.488 -2.680 -2.871 -3.060 -3.249 -3.435 17.190 15.075 13.330 11.821 10.485 9.288 8.203 7.211 6.299 5.453 4.665 3.927 3.232 2.575 1.951 0.788 0.567 0.349 0.135 -0.075 -0.283 -0.488 -0.690 -0.890 -1.087 -1.282 -1.475 -1.665 -1.854 -2.040 -2.225 -2.408 -2.590 -2.770 -2.948 -3.125 17.237 15.089 13.333 11.820 10.487 9.293 8.214 7.229 6.323 5.486 4.708 3.980 3.297 2.651 2.040 0.904 0.689 0.478 0.270 0.065 -0.137 -0.335 -0.531 -0.724 -0.915 -1.103 -1.289 -1.473 -1.654 -1.834 -2.012 -2.188 -2.362 -2.535 -2.706 -2.876 17.273 15.093 13.326 11.812 10.480 9.290 8.216 7.237 6.339 5.509 4.739 4.021 3.347 2.713 2.112 1.000 0.790 0.584 0.381 0.181 -0.015 -0.209 -0.399 -0.587 -0.772 -0.955 -1.135 -1.314 -1.490 -1.663 -1.835 -2.006 -2.174 -2.341 -2.506 -2.670 99999.999 15.089 13.312 11.796 10.466 9.280 8.211 7.238 6.346 5.523 4.761 4.051 3.386 2.761 2.171 1.079 0.874 0.671 0.473 0.278 0.086 -0.103 -0.289 -0.473 -0.653 -0.831 -1.007 -1.180 -1.352 -1.521 -1.688 -1.854 -2.017 -2.179 -2.340 -2.498 S2O5-2 S2O5(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 2.000 1 2.000 4 -1.000 2 -1.000 31 92.333 83.655 76.092 69.458 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.333 83.655 76.092 69.458 63.584 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.334 83.657 76.093 69.459 63.585 58.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.337 83.659 76.095 69.461 63.587 58.337 53.599 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.342 83.663 76.099 69.464 63.590 58.340 53.603 49.289 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.349 83.670 76.105 69.470 63.596 58.346 53.609 49.296 45.332 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.361 83.679 76.114 69.478 63.604 58.354 53.618 49.305 45.342 41.662 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.377 83.693 76.126 69.490 63.616 58.366 53.630 49.319 45.357 41.680 38.220 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.399 83.712 76.144 69.507 63.632 58.382 53.647 49.337 45.378 41.704 38.250 34.947 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.429 83.737 76.167 69.529 63.654 58.404 53.670 49.361 45.405 41.735 38.289 34.999 31.779 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.467 83.770 76.197 69.557 63.682 58.432 53.699 49.393 45.440 41.776 38.339 35.066 31.877 28.632 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.517 83.812 76.235 69.594 63.717 58.468 53.736 49.433 45.484 41.827 38.401 35.147 31.994 28.829 25.291 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.555 83.844 76.264 69.622 63.745 58.496 53.765 49.463 45.518 41.865 38.448 35.208 32.080 28.965 25.595 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.609 83.890 76.306 69.661 63.783 58.535 53.805 49.506 45.565 41.919 38.513 35.291 32.195 29.140 25.929 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.662 83.935 76.347 69.700 63.822 58.573 53.845 49.549 45.611 41.971 38.575 35.369 32.301 29.298 26.203 18.884 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.715 83.980 76.388 69.739 63.859 58.611 53.884 49.590 45.656 42.022 38.634 35.444 32.401 29.441 26.438 20.669 18.836 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.767 84.024 76.428 69.777 63.896 58.648 53.922 49.630 45.700 42.071 38.692 35.515 32.494 29.572 26.645 21.221 19.877 18.298 16.312 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.818 84.067 76.468 69.814 63.932 58.684 53.960 49.670 45.743 42.119 38.748 35.583 32.581 29.692 26.829 21.565 20.375 19.092 17.657 15.993 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.869 84.110 76.507 69.851 63.968 58.720 53.996 49.708 45.785 42.166 38.802 35.648 32.663 29.803 26.994 21.823 20.710 19.552 18.322 16.986 15.507 13.859 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.919 84.153 76.545 69.887 64.004 58.756 54.033 49.747 45.826 42.211 38.854 35.710 32.741 29.906 27.143 22.033 20.969 19.880 18.752 17.569 16.310 14.955 13.492 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.969 84.195 76.583 69.923 64.039 58.790 54.068 49.784 45.866 42.256 38.904 35.770 32.814 30.000 27.277 22.214 21.182 20.138 19.072 17.975 16.835 15.639 14.376 13.044 11.647 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.018 84.236 76.621 69.958 64.073 58.825 54.103 49.821 45.905 42.299 38.953 35.827 32.883 30.088 27.397 22.373 21.366 20.353 19.329 18.287 17.219 16.119 14.977 13.790 12.556 11.280 9.974 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.067 84.277 76.658 69.993 64.107 58.859 54.138 49.857 45.944 42.341 39.000 35.882 32.949 30.170 27.506 22.516 21.528 20.540 19.546 18.542 17.524 16.485 15.422 14.329 13.204 12.049 10.868 9.669 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.115 84.318 76.694 70.028 64.140 58.892 54.172 49.892 45.982 42.382 39.047 35.934 33.011 30.246 27.605 22.646 21.674 20.705 19.734 18.759 17.776 16.782 15.772 14.744 13.695 12.624 11.534 10.430 9.316 8.202 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.163 84.358 76.730 70.062 64.173 58.925 54.205 49.927 46.019 42.423 39.091 35.985 33.071 30.317 27.695 22.766 21.807 20.853 19.901 18.949 17.993 17.032 16.061 15.079 14.084 13.075 12.053 11.019 9.978 8.935 7.896 99999.999 99999.999 99999.999 99999.999 99999.999 93.210 84.397 76.766 70.095 64.206 58.957 54.238 49.961 46.055 42.462 39.135 36.035 33.128 30.384 27.777 22.878 21.930 20.989 20.053 19.118 18.184 17.248 16.307 15.360 14.406 13.442 12.471 11.491 10.507 9.520 8.537 7.560 6.597 99999.999 99999.999 99999.999 93.257 84.436 76.801 70.129 64.238 58.989 54.271 49.995 46.091 42.501 39.178 36.083 33.182 30.448 27.852 22.982 22.044 21.114 20.191 19.272 18.355 17.439 16.522 15.603 14.679 13.751 12.818 11.881 10.941 10.000 9.061 8.129 7.206 6.297 99999.999 99999.999 93.303 84.475 76.836 70.161 64.270 59.020 54.303 50.028 46.126 42.539 39.220 36.129 33.235 30.508 27.923 23.081 22.151 21.231 20.318 19.412 18.510 17.611 16.713 15.816 14.917 14.017 13.115 12.211 11.306 10.402 9.500 8.604 7.715 6.839 5.977 5.133 93.349 84.513 76.871 70.194 64.301 59.052 54.334 50.061 46.161 42.576 39.260 36.174 33.285 30.566 27.990 23.174 22.252 21.340 20.437 19.542 18.652 17.767 16.886 16.006 15.128 14.251 13.373 12.496 11.620 10.745 9.874 9.008 8.149 7.300 6.464 5.643 93.783 84.876 77.197 70.499 64.595 59.342 54.627 50.363 46.477 42.914 39.627 36.576 33.730 31.063 28.551 23.913 23.038 22.178 21.331 20.498 19.678 18.868 18.070 17.282 16.503 15.734 14.973 14.220 13.475 12.738 12.008 11.286 10.572 9.865 9.167 8.476 94.182 85.207 77.493 70.775 64.860 59.601 54.887 50.628 46.752 43.204 39.936 36.910 34.093 31.460 28.988 24.452 23.601 22.766 21.948 21.144 20.355 19.579 18.816 18.065 17.326 16.598 15.881 15.174 14.477 13.789 13.110 12.440 11.778 11.125 10.480 9.843 94.553 85.512 77.764 71.027 65.100 59.836 55.121 50.864 46.996 43.459 40.205 37.196 34.401 31.793 29.349 24.880 24.045 23.227 22.426 21.641 20.870 20.114 19.372 18.643 17.927 17.223 16.530 15.848 15.177 14.516 13.865 13.223 12.591 11.967 11.352 10.745 94.902 85.795 78.015 71.259 65.321 60.051 55.334 51.079 47.215 43.685 40.442 37.447 34.668 32.079 29.656 25.238 24.414 23.608 22.819 22.046 21.289 20.547 19.819 19.104 18.403 17.714 17.038 16.373 15.719 15.075 14.442 13.819 13.205 12.600 12.004 11.417 95.231 86.061 78.249 71.475 65.526 60.250 55.530 51.275 47.414 43.890 40.655 37.671 34.905 32.330 29.924 25.544 24.729 23.932 23.152 22.388 21.641 20.909 20.191 19.488 18.798 18.120 17.455 16.802 16.160 15.529 14.909 14.298 13.698 13.106 12.524 11.950 95.546 86.313 78.469 71.676 65.717 60.434 55.711 51.456 47.597 44.077 40.849 37.873 35.117 32.554 30.161 25.812 25.004 24.213 23.441 22.685 21.945 21.221 20.511 19.816 19.134 18.465 17.809 17.165 16.532 15.910 15.299 14.699 14.108 13.526 12.954 12.391 95.848 86.552 78.677 71.865 65.895 60.606 55.880 51.624 47.767 44.250 41.026 38.056 35.309 32.755 30.374 26.050 25.247 24.462 23.695 22.945 22.212 21.494 20.790 20.101 19.426 18.764 18.115 17.478 16.852 16.238 15.634 15.041 14.458 13.884 13.319 12.764 99999.999 86.781 78.874 72.044 66.063 60.768 56.038 51.781 47.924 44.410 41.190 38.225 35.484 32.939 30.566 26.263 25.464 24.685 23.922 23.177 22.449 21.736 21.038 20.354 19.684 19.028 18.384 17.752 17.132 16.524 15.926 15.339 14.761 14.194 13.635 13.086 S2O6-2 S2O6(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 1.750 1 1.750 4 0.250 6 -1.000 2 18.987 16.841 14.893 13.132 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.987 16.841 14.893 13.132 11.531 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.988 16.841 14.893 13.133 11.532 10.063 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.989 16.843 14.894 13.134 11.533 10.064 8.702 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.992 16.845 14.896 13.136 11.535 10.066 8.704 7.426 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.997 16.848 14.899 13.138 11.538 10.069 8.707 7.430 6.217 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.003 16.853 14.904 13.143 11.542 10.074 8.712 7.436 6.223 5.054 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.013 16.861 14.910 13.149 11.548 10.080 8.719 7.443 6.233 5.066 3.916 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.026 16.871 14.919 13.157 11.556 10.089 8.729 7.454 6.246 5.081 3.937 2.777 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.044 16.884 14.931 13.168 11.568 10.100 8.741 7.469 6.262 5.102 3.963 2.815 1.608 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.067 16.902 14.946 13.182 11.582 10.115 8.758 7.487 6.284 5.128 3.997 2.862 1.679 0.367 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.095 16.924 14.965 13.201 11.600 10.134 8.778 7.510 6.311 5.161 4.040 2.920 1.765 0.508 -1.076 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.117 16.940 14.980 13.214 11.614 10.148 8.794 7.528 6.331 5.186 4.071 2.962 1.827 0.607 -0.876 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.149 16.964 15.000 13.234 11.633 10.168 8.816 7.552 6.360 5.220 4.114 3.021 1.911 0.736 -0.641 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.179 16.987 15.020 13.252 11.652 10.188 8.837 7.576 6.387 5.253 4.156 3.076 1.988 0.853 -0.440 -3.222 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.209 17.010 15.040 13.271 11.670 10.207 8.857 7.599 6.414 5.285 4.195 3.128 2.060 0.960 -0.264 -2.362 -3.161 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.238 17.032 15.059 13.289 11.688 10.226 8.877 7.622 6.440 5.315 4.233 3.177 2.127 1.057 -0.107 -2.076 -2.638 -3.330 -4.282 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.267 17.053 15.077 13.306 11.705 10.244 8.897 7.643 6.465 5.345 4.269 3.223 2.190 1.146 0.033 -1.882 -2.370 -2.912 -3.543 -4.324 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.295 17.074 15.095 13.323 11.722 10.261 8.916 7.664 6.489 5.373 4.304 3.267 2.248 1.227 0.158 -1.727 -2.177 -2.657 -3.180 -3.769 -4.456 -5.269 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.322 17.095 15.113 13.340 11.738 10.278 8.934 7.685 6.512 5.401 4.337 3.309 2.303 1.302 0.270 -1.596 -2.022 -2.465 -2.935 -3.441 -3.998 -4.622 -5.328 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.349 17.115 15.130 13.356 11.754 10.295 8.952 7.705 6.535 5.428 4.369 3.349 2.354 1.370 0.370 -1.482 -1.889 -2.309 -2.746 -3.206 -3.696 -4.225 -4.802 -5.435 -6.123 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.375 17.134 15.147 13.372 11.770 10.311 8.970 7.724 6.557 5.453 4.400 3.386 2.401 1.433 0.460 -1.379 -1.772 -2.174 -2.589 -3.019 -3.468 -3.942 -4.447 -4.987 -5.565 -6.180 -6.827 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.401 17.154 15.164 13.387 11.785 10.327 8.987 7.743 6.579 5.478 4.430 3.422 2.446 1.491 0.540 -1.285 -1.667 -2.056 -2.453 -2.861 -3.284 -3.722 -4.182 -4.664 -5.172 -5.707 -6.267 -6.847 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.426 17.172 15.180 13.402 11.800 10.342 9.003 7.762 6.600 5.503 4.458 3.457 2.488 1.544 0.611 -1.199 -1.571 -1.949 -2.333 -2.725 -3.127 -3.541 -3.969 -4.413 -4.875 -5.356 -5.856 -6.371 -6.900 -7.435 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.451 17.191 15.196 13.417 11.815 10.358 9.020 7.780 6.620 5.526 4.486 3.489 2.528 1.593 0.675 -1.118 -1.483 -1.851 -2.224 -2.603 -2.990 -3.385 -3.790 -4.207 -4.637 -5.080 -5.537 -6.006 -6.486 -6.972 -7.461 99999.999 99999.999 99999.999 99999.999 99999.999 19.476 17.209 15.211 13.431 11.829 10.372 9.035 7.797 6.640 5.549 4.512 3.521 2.566 1.639 0.732 -1.043 -1.401 -1.761 -2.125 -2.493 -2.867 -3.247 -3.635 -4.032 -4.438 -4.853 -5.279 -5.714 -6.157 -6.606 -7.057 -7.508 -7.955 99999.999 99999.999 99999.999 19.500 17.226 15.226 13.445 11.843 10.387 9.051 7.814 6.659 5.571 4.538 3.551 2.601 1.682 0.784 -0.973 -1.324 -1.678 -2.034 -2.393 -2.756 -3.124 -3.498 -3.878 -4.266 -4.660 -5.063 -5.472 -5.887 -6.306 -6.729 -7.151 -7.571 -7.984 99999.999 99999.999 19.523 17.243 15.241 13.459 11.856 10.401 9.066 7.831 6.678 5.592 4.563 3.580 2.635 1.722 0.832 -0.906 -1.252 -1.599 -1.948 -2.300 -2.654 -3.012 -3.374 -3.742 -4.114 -4.492 -4.876 -5.265 -5.658 -6.055 -6.454 -6.853 -7.251 -7.644 -8.030 -8.407 19.546 17.260 15.255 13.472 11.869 10.414 9.081 7.847 6.696 5.613 4.587 3.608 2.668 1.760 0.877 -0.843 -1.184 -1.526 -1.869 -2.213 -2.560 -2.909 -3.262 -3.618 -3.978 -4.343 -4.711 -5.084 -5.460 -5.839 -6.220 -6.600 -6.979 -7.354 -7.724 -8.087 19.754 17.410 15.381 13.589 11.985 10.534 9.209 7.989 6.855 5.795 4.796 3.849 2.946 2.081 1.249 -0.341 -0.650 -0.956 -1.261 -1.563 -1.864 -2.164 -2.463 -2.761 -3.058 -3.355 -3.651 -3.947 -4.242 -4.537 -4.831 -5.124 -5.417 -5.707 -5.996 -6.283 19.927 17.531 15.482 13.681 12.076 10.628 9.310 8.100 6.981 5.938 4.959 4.036 3.160 2.325 1.526 0.017 -0.273 -0.560 -0.843 -1.124 -1.402 -1.678 -1.951 -2.223 -2.492 -2.760 -3.026 -3.290 -3.553 -3.815 -4.075 -4.334 -4.591 -4.847 -5.102 -5.355 20.072 17.629 15.561 13.754 12.147 10.702 9.390 8.189 7.081 6.051 5.089 4.185 3.330 2.518 1.744 0.293 0.016 -0.258 -0.527 -0.794 -1.057 -1.317 -1.574 -1.829 -2.081 -2.331 -2.579 -2.824 -3.068 -3.310 -3.550 -3.788 -4.025 -4.260 -4.493 -4.726 20.195 17.708 15.623 13.809 12.202 10.760 9.453 8.260 7.161 6.143 5.194 4.305 3.467 2.674 1.920 0.514 0.246 -0.017 -0.277 -0.532 -0.785 -1.033 -1.279 -1.522 -1.762 -1.999 -2.234 -2.467 -2.697 -2.925 -3.151 -3.375 -3.598 -3.818 -4.037 -4.254 20.300 17.771 15.670 13.851 12.244 10.804 9.502 8.315 7.225 6.216 5.279 4.403 3.579 2.802 2.065 0.694 0.435 0.179 -0.072 -0.319 -0.563 -0.803 -1.040 -1.274 -1.505 -1.733 -1.958 -2.180 -2.401 -2.618 -2.834 -3.048 -3.260 -3.469 -3.677 -3.884 20.391 17.820 15.705 13.881 12.273 10.837 9.539 8.358 7.275 6.276 5.348 4.483 3.671 2.907 2.184 0.845 0.591 0.343 0.098 -0.143 -0.379 -0.613 -0.842 -1.069 -1.292 -1.513 -1.730 -1.945 -2.157 -2.367 -2.575 -2.780 -2.984 -3.185 -3.385 -3.583 20.468 17.859 15.729 13.900 12.293 10.859 9.566 8.391 7.314 6.323 5.404 4.548 3.747 2.994 2.284 0.970 0.723 0.479 0.240 0.006 -0.225 -0.453 -0.677 -0.897 -1.114 -1.329 -1.540 -1.748 -1.954 -2.158 -2.359 -2.558 -2.755 -2.950 -3.142 -3.333 99999.999 17.888 15.744 13.911 12.304 10.873 9.584 8.414 7.344 6.359 5.448 4.601 3.810 3.067 2.367 1.076 0.833 0.595 0.361 0.131 -0.095 -0.318 -0.536 -0.752 -0.964 -1.173 -1.379 -1.582 -1.783 -1.981 -2.177 -2.370 -2.562 -2.751 -2.938 -3.124 S2O6-2 S2O6(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 2.000 1 2.000 4 -1.000 2 -0.500 31 57.011 51.420 46.502 42.161 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.011 51.420 46.502 42.161 38.294 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.013 51.421 46.503 42.161 38.295 34.818 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.015 51.423 46.505 42.163 38.296 34.819 31.662 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.019 51.426 46.508 42.166 38.299 34.822 31.665 28.770 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.026 51.432 46.513 42.171 38.304 34.827 31.670 28.776 26.094 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.036 51.440 46.520 42.178 38.311 34.834 31.678 28.784 26.104 23.590 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.050 51.452 46.531 42.188 38.320 34.844 31.688 28.796 26.117 23.606 21.215 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.069 51.468 46.545 42.201 38.334 34.858 31.703 28.811 26.135 23.627 21.242 18.925 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.095 51.489 46.564 42.219 38.352 34.876 31.722 28.833 26.159 23.655 21.278 18.973 16.671 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.128 51.516 46.589 42.243 38.375 34.900 31.747 28.860 26.189 23.692 21.323 19.034 16.762 14.388 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.171 51.551 46.621 42.273 38.404 34.930 31.779 28.894 26.228 23.737 21.379 19.109 16.870 14.568 11.891 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.204 51.578 46.645 42.296 38.427 34.953 31.803 28.920 26.257 23.771 21.421 19.164 16.949 14.693 12.159 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.250 51.616 46.679 42.328 38.459 34.985 31.837 28.957 26.298 23.818 21.479 19.240 17.055 14.855 12.462 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.296 51.654 46.713 42.360 38.490 35.017 31.870 28.993 26.338 23.864 21.535 19.312 17.154 15.002 12.714 7.447 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.341 51.691 46.746 42.391 38.521 35.048 31.902 29.028 26.377 23.909 21.588 19.380 17.246 15.135 12.933 8.843 7.465 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.385 51.727 46.779 42.422 38.551 35.078 31.934 29.062 26.415 23.952 21.640 19.444 17.331 15.257 13.127 9.285 8.290 7.102 5.560 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.429 51.763 46.811 42.452 38.580 35.108 31.965 29.095 26.451 23.994 21.689 19.506 17.412 15.369 13.300 9.570 8.695 7.742 6.662 5.380 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.472 51.798 46.842 42.482 38.609 35.137 31.996 29.128 26.487 24.035 21.737 19.564 17.487 15.471 13.455 9.789 8.974 8.120 7.205 6.198 5.063 3.772 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.514 51.832 46.873 42.511 38.638 35.166 32.026 29.160 26.522 24.074 21.783 19.620 17.558 15.566 13.594 9.970 9.194 8.395 7.562 6.680 5.731 4.695 3.558 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.556 51.866 46.903 42.540 38.666 35.195 32.055 29.191 26.557 24.113 21.828 19.673 17.624 15.653 13.719 10.127 9.378 8.615 7.832 7.020 6.169 5.267 4.304 3.275 2.181 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.597 51.900 46.933 42.568 38.693 35.222 32.084 29.222 26.590 24.150 21.871 19.724 17.687 15.734 13.831 10.266 9.537 8.801 8.051 7.284 6.493 5.671 4.810 3.907 2.958 1.967 0.943 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.638 51.933 46.963 42.596 38.721 35.250 32.112 29.252 26.623 24.186 21.912 19.773 17.746 15.809 13.932 10.392 9.679 8.963 8.238 7.503 6.752 5.981 5.186 4.363 3.510 2.625 1.713 0.781 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.678 51.966 46.992 42.623 38.747 35.276 32.140 29.281 26.655 24.222 21.952 19.820 17.803 15.878 14.023 10.507 9.808 9.107 8.402 7.690 6.969 6.235 5.485 4.716 3.927 3.116 2.285 1.437 0.577 -0.287 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.718 51.998 47.021 42.650 38.773 35.303 32.167 29.310 26.686 24.257 21.992 19.865 17.856 15.943 14.105 10.614 9.926 9.238 8.549 7.856 7.157 6.450 5.733 5.003 4.259 3.501 2.728 1.942 1.147 0.347 -0.453 99999.999 99999.999 99999.999 99999.999 99999.999 57.757 52.030 47.049 42.676 38.799 35.329 32.194 29.338 26.716 24.290 22.030 19.909 17.906 16.003 14.179 10.713 10.035 9.358 8.682 8.004 7.323 6.637 5.945 5.245 4.535 3.816 3.086 2.348 1.602 0.852 0.101 -0.646 -1.383 99999.999 99999.999 99999.999 57.796 52.061 47.077 42.702 38.825 35.354 32.220 29.366 26.746 24.323 22.067 19.951 17.955 16.060 14.248 10.806 10.136 9.469 8.804 8.139 7.473 6.804 6.132 5.455 4.771 4.082 3.385 2.682 1.975 1.264 0.553 -0.155 -0.857 -1.548 99999.999 99999.999 57.834 52.092 47.104 42.728 38.850 35.379 32.246 29.393 26.776 24.356 22.103 19.992 18.001 16.114 14.311 10.894 10.232 9.573 8.917 8.263 7.609 6.955 6.299 5.640 4.978 4.312 3.641 2.967 2.289 1.610 0.931 0.254 -0.417 -1.080 -1.732 -2.370 57.871 52.122 47.131 42.753 38.874 35.404 32.271 29.420 26.805 24.387 22.138 20.031 18.046 16.165 14.371 10.978 10.322 9.670 9.023 8.378 7.735 7.093 6.451 5.807 5.162 4.515 3.866 3.214 2.561 1.907 1.254 0.603 -0.043 -0.682 -1.312 -1.930 58.223 52.405 47.381 42.987 39.101 35.630 32.503 29.663 27.064 24.670 22.449 20.378 18.436 16.605 14.871 11.641 11.027 10.421 9.824 9.234 8.652 8.076 7.506 6.941 6.382 5.828 5.278 4.733 4.192 3.655 3.122 2.594 2.070 1.551 1.037 0.528 58.537 52.655 47.601 43.192 39.298 35.826 32.702 29.870 27.284 24.906 22.706 20.660 18.747 16.950 15.255 12.121 11.529 10.948 10.376 9.814 9.260 8.714 8.177 7.646 7.123 6.606 6.095 5.590 5.092 4.598 4.111 3.628 3.150 2.678 2.210 1.747 58.821 52.878 47.797 43.372 39.471 35.997 32.876 30.049 27.472 25.107 22.924 20.897 19.006 17.234 15.567 12.499 11.923 11.357 10.802 10.257 9.721 9.194 8.675 8.165 7.663 7.168 6.680 6.199 5.724 5.256 4.793 4.336 3.885 3.439 2.998 2.562 59.081 53.080 47.972 43.533 39.626 36.149 33.029 30.207 27.637 25.282 23.111 21.099 19.226 17.473 15.828 12.810 12.245 11.690 11.147 10.614 10.091 9.577 9.073 8.576 8.088 7.608 7.136 6.670 6.212 5.760 5.314 4.874 4.440 4.012 3.589 3.172 59.321 53.264 48.130 43.678 39.764 36.285 33.166 30.347 27.783 25.435 23.274 21.275 19.415 17.679 16.051 13.073 12.516 11.971 11.436 10.913 10.399 9.895 9.401 8.915 8.438 7.969 7.507 7.053 6.606 6.166 5.733 5.305 4.884 4.469 4.059 3.654 59.545 53.432 48.273 43.809 39.888 36.407 33.288 30.472 27.912 25.571 23.419 21.429 19.581 17.858 16.245 13.298 12.749 12.210 11.683 11.167 10.661 10.165 9.679 9.201 8.732 8.272 7.819 7.374 6.936 6.505 6.081 5.663 5.251 4.845 4.445 4.050 59.756 53.589 48.404 43.927 40.001 36.517 33.398 30.584 28.028 25.693 23.547 21.566 19.728 18.016 16.415 13.495 12.951 12.419 11.898 11.388 10.888 10.398 9.918 9.447 8.985 8.531 8.085 7.647 7.216 6.793 6.376 5.965 5.561 5.163 4.770 4.383 99999.999 53.734 48.525 44.035 40.103 36.617 33.498 30.686 28.133 25.802 23.662 21.688 19.859 18.156 16.565 13.668 13.129 12.601 12.086 11.581 11.086 10.602 10.127 9.662 9.205 8.757 8.317 7.884 7.459 7.041 6.630 6.226 5.828 5.435 5.049 4.668 S2O8-2 S2O8(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 2.250 1 2.250 4 -0.250 6 -1.000 2 63.551 57.079 51.413 46.431 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.551 57.079 51.413 46.431 42.010 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.553 57.081 51.415 46.432 42.011 38.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.556 57.084 51.417 46.435 42.014 38.053 34.468 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.562 57.089 51.422 46.439 42.018 38.057 34.472 31.195 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.572 57.097 51.430 46.447 42.025 38.064 34.480 31.203 28.176 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.587 57.110 51.441 46.457 42.036 38.075 34.491 31.215 28.189 25.359 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.608 57.128 51.458 46.473 42.051 38.090 34.506 31.231 28.207 25.380 22.695 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.636 57.152 51.480 46.494 42.072 38.111 34.528 31.254 28.232 25.408 22.730 20.133 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.674 57.185 51.510 46.522 42.099 38.138 34.556 31.284 28.265 25.446 22.775 20.193 17.621 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.724 57.227 51.548 46.559 42.135 38.174 34.593 31.323 28.307 25.494 22.833 20.268 17.729 15.092 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.787 57.281 51.598 46.605 42.180 38.219 34.639 31.372 28.361 25.555 22.906 20.362 17.859 15.297 12.364 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.835 57.323 51.635 46.641 42.215 38.254 34.675 31.409 28.401 25.601 22.961 20.431 17.955 15.441 12.641 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.904 57.381 51.689 46.692 42.264 38.303 34.725 31.462 28.459 25.665 23.036 20.527 18.084 15.632 12.973 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.971 57.439 51.742 46.742 42.313 38.351 34.774 31.514 28.514 25.728 23.110 20.617 18.205 15.806 13.260 8.213 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 64.038 57.496 51.794 46.791 42.360 38.399 34.823 31.565 28.569 25.788 23.180 20.704 18.318 15.965 13.513 9.328 8.022 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 64.103 57.552 51.845 46.839 42.407 38.445 34.870 31.614 28.622 25.847 23.248 20.787 18.424 16.112 13.740 9.708 8.706 7.543 6.037 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 64.168 57.607 51.895 46.886 42.453 38.491 34.917 31.663 28.674 25.904 23.313 20.865 18.524 16.247 13.945 9.974 9.065 8.096 7.016 5.741 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 64.232 57.662 51.944 46.933 42.498 38.536 34.963 31.711 28.725 25.960 23.377 20.941 18.619 16.373 14.130 10.190 9.330 8.440 7.501 6.480 5.335 4.025 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 64.294 57.715 51.993 46.979 42.543 38.580 35.008 31.757 28.775 26.015 23.438 21.013 18.708 16.489 14.296 10.375 9.547 8.703 7.832 6.920 5.948 4.892 3.730 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 64.356 57.768 52.041 47.024 42.587 38.624 35.052 31.803 28.824 26.068 23.498 21.082 18.792 16.596 14.447 10.540 9.735 8.921 8.092 7.241 6.356 5.426 4.437 3.378 2.248 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 64.417 57.820 52.088 47.069 42.630 38.666 35.095 31.848 28.871 26.120 23.556 21.149 18.871 16.696 14.582 10.690 9.903 9.111 8.311 7.499 6.667 5.808 4.916 3.981 3.000 1.974 0.908 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 64.477 57.871 52.135 47.113 42.672 38.709 35.138 31.893 28.918 26.170 23.612 21.213 18.947 16.788 14.704 10.827 10.054 9.281 8.503 7.718 6.921 6.109 5.276 4.418 3.531 2.612 1.665 0.694 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 64.537 57.922 52.181 47.156 42.714 38.750 35.180 31.936 28.964 26.220 23.667 21.275 19.019 16.874 14.815 10.955 10.194 9.435 8.674 7.910 7.140 6.360 5.568 4.760 3.934 3.088 2.222 1.339 0.443 -0.459 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 64.595 57.972 52.226 47.199 42.755 38.791 35.221 31.979 29.009 26.268 23.720 21.334 19.087 16.955 14.915 11.075 10.324 9.577 8.830 8.083 7.333 6.578 5.815 5.043 4.260 3.464 2.655 1.834 1.004 0.169 -0.666 99999.999 99999.999 99999.999 99999.999 99999.999 64.653 58.021 52.271 47.241 42.796 38.831 35.262 32.020 29.053 26.315 23.771 21.392 19.152 17.030 15.005 11.188 10.446 9.709 8.974 8.241 7.507 6.771 6.031 5.286 4.534 3.775 3.007 2.232 1.451 0.666 -0.118 -0.898 -1.668 99999.999 99999.999 99999.999 64.710 58.070 52.315 47.282 42.836 38.871 35.302 32.062 29.096 26.362 23.822 21.448 19.215 17.102 15.089 11.294 10.561 9.832 9.108 8.387 7.666 6.946 6.224 5.500 4.772 4.040 3.304 2.563 1.819 1.073 0.329 -0.412 -1.145 -1.867 99999.999 99999.999 64.766 58.118 52.359 47.323 42.876 38.910 35.341 32.102 29.139 26.407 23.871 21.502 19.275 17.170 15.167 11.396 10.669 9.949 9.234 8.522 7.813 7.106 6.400 5.693 4.984 4.274 3.562 2.847 2.132 1.416 0.703 -0.007 -0.710 -1.403 -2.084 -2.749 64.822 58.165 52.402 47.364 42.915 38.948 35.380 32.142 29.181 26.452 23.920 21.555 19.333 17.235 15.241 11.493 10.773 10.059 9.352 8.649 7.951 7.255 6.561 5.868 5.175 4.483 3.790 3.097 2.404 1.713 1.024 0.339 -0.340 -1.009 -1.668 -2.314 65.342 58.608 52.803 47.741 43.278 39.305 35.738 32.509 29.563 26.856 24.354 22.025 19.848 17.802 15.869 12.286 11.607 10.939 10.281 9.632 8.992 8.360 7.736 7.119 6.508 5.903 5.305 4.712 4.124 3.542 2.966 2.395 1.830 1.271 0.718 0.172 65.808 59.003 53.161 48.076 43.600 39.621 36.053 32.828 29.893 27.202 24.720 22.417 20.270 18.259 16.367 12.883 12.227 11.584 10.952 10.331 9.720 9.119 8.527 7.943 7.368 6.801 6.242 5.689 5.144 4.605 4.072 3.545 3.025 2.510 2.002 1.499 66.229 59.360 53.483 48.377 43.889 39.903 36.333 33.112 30.183 27.503 25.036 22.753 20.628 18.643 16.780 13.365 12.725 12.098 11.483 10.880 10.288 9.706 9.134 8.572 8.019 7.474 6.938 6.410 5.889 5.375 4.868 4.368 3.874 3.387 2.905 2.429 66.616 59.686 53.777 48.651 44.150 40.158 36.586 33.366 30.442 27.770 25.315 23.046 20.939 18.974 17.134 13.770 13.142 12.527 11.925 11.334 10.755 10.187 9.630 9.082 8.544 8.015 7.495 6.983 6.479 5.982 5.493 5.011 4.535 4.066 3.603 3.146 66.973 59.985 54.046 48.902 44.390 40.391 36.816 33.596 30.676 28.010 25.564 23.306 21.213 19.264 17.441 14.119 13.500 12.894 12.301 11.721 11.152 10.594 10.047 9.511 8.984 8.466 7.958 7.458 6.966 6.482 6.006 5.537 5.075 4.619 4.170 3.726 67.307 60.264 54.294 49.133 44.610 40.605 37.027 33.807 30.888 28.228 25.788 23.540 21.458 19.522 17.714 14.424 13.812 13.214 12.629 12.056 11.495 10.946 10.407 9.879 9.361 8.853 8.353 7.863 7.380 6.906 6.440 5.981 5.528 5.083 4.644 4.212 67.621 60.524 54.525 49.347 44.814 40.803 37.222 34.001 31.084 28.427 25.992 23.752 21.679 19.753 17.957 14.695 14.089 13.497 12.918 12.351 11.797 11.254 10.722 10.201 9.690 9.189 8.697 8.214 7.739 7.272 6.814 6.362 5.918 5.481 5.050 4.626 99999.999 60.768 54.741 49.546 45.003 40.986 37.402 34.180 31.264 28.610 26.180 23.945 21.880 19.963 18.177 14.938 14.336 13.749 13.175 12.614 12.065 11.528 11.002 10.486 9.981 9.486 9.000 8.522 8.054 7.593 7.141 6.696 6.258 5.827 5.403 4.985 S2O8-2 S2O8(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 2.000 1 2.000 4 0.500 31 -1.000 2 25.526 22.500 19.803 17.402 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.526 22.500 19.803 17.402 15.248 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.528 22.501 19.804 17.403 15.249 13.296 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.530 22.503 19.807 17.405 15.251 13.298 11.508 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.535 22.508 19.810 17.409 15.254 13.301 11.511 9.851 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.543 22.514 19.816 17.414 15.259 13.306 11.517 9.857 8.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.554 22.523 19.825 17.422 15.267 13.315 11.525 9.866 8.309 6.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.571 22.537 19.837 17.434 15.279 13.326 11.537 9.879 8.323 6.840 5.396 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.593 22.556 19.854 17.450 15.294 13.342 11.553 9.897 8.343 6.863 5.424 3.985 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.623 22.581 19.876 17.471 15.315 13.363 11.575 9.920 8.368 6.893 5.461 4.034 2.558 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.662 22.613 19.905 17.498 15.342 13.389 11.603 9.950 8.402 6.931 5.508 4.096 2.646 1.071 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.711 22.654 19.942 17.533 15.376 13.424 11.639 9.988 8.444 6.979 5.567 4.172 2.754 1.237 -0.603 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.749 22.685 19.970 17.560 15.402 13.450 11.666 10.017 8.476 7.016 5.611 4.229 2.833 1.356 -0.394 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.802 22.729 20.010 17.597 15.438 13.487 11.704 10.058 8.520 7.067 5.672 4.307 2.939 1.513 -0.129 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.855 22.772 20.049 17.634 15.474 13.523 11.741 10.097 8.564 7.116 5.730 4.381 3.039 1.657 0.106 -2.455 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.906 22.815 20.087 17.670 15.509 13.558 11.778 10.136 8.606 7.164 5.787 4.452 3.133 1.790 0.317 -1.877 -2.603 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.956 22.857 20.125 17.705 15.544 13.593 11.813 10.174 8.647 7.210 5.841 4.519 3.220 1.912 0.507 -1.654 -2.222 -2.889 -3.805 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.006 22.898 20.162 17.740 15.577 13.626 11.848 10.211 8.688 7.255 5.894 4.583 3.302 2.024 0.678 -1.478 -2.000 -2.558 -3.189 -3.963 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.054 22.938 20.198 17.774 15.611 13.660 11.883 10.247 8.727 7.299 5.944 4.644 3.380 2.128 0.833 -1.326 -1.822 -2.337 -2.884 -3.488 -4.185 -5.016 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.102 22.977 20.233 17.807 15.643 13.692 11.916 10.282 8.765 7.341 5.993 4.702 3.453 2.224 0.973 -1.191 -1.668 -2.158 -2.665 -3.201 -3.781 -4.425 -5.156 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.149 23.016 20.268 17.840 15.675 13.724 11.949 10.317 8.802 7.383 6.040 4.758 3.521 2.313 1.098 -1.068 -1.531 -2.003 -2.485 -2.984 -3.508 -4.066 -4.670 -5.332 -6.056 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.195 23.054 20.302 17.872 15.706 13.755 11.981 10.351 8.839 7.423 6.085 4.811 3.586 2.395 1.211 -0.955 -1.407 -1.864 -2.329 -2.804 -3.294 -3.805 -4.342 -4.913 -5.523 -6.174 -6.862 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.240 23.092 20.336 17.904 15.737 13.786 12.012 10.384 8.874 7.462 6.130 4.862 3.647 2.470 1.312 -0.849 -1.292 -1.738 -2.189 -2.647 -3.114 -3.595 -4.092 -4.609 -5.151 -5.720 -6.315 -6.934 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.285 23.128 20.369 17.935 15.767 13.816 12.043 10.416 8.909 7.500 6.172 4.911 3.704 2.540 1.403 -0.750 -1.185 -1.621 -2.061 -2.505 -2.956 -3.415 -3.885 -4.369 -4.868 -5.384 -5.918 -6.469 -7.034 -7.607 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.329 23.165 20.401 17.966 15.797 13.846 12.074 10.448 8.943 7.538 6.214 4.958 3.759 2.606 1.485 -0.657 -1.084 -1.513 -1.943 -2.376 -2.813 -3.257 -3.707 -4.167 -4.636 -5.117 -5.610 -6.114 -6.629 -7.150 -7.674 99999.999 99999.999 99999.999 99999.999 99999.999 26.372 23.200 20.433 17.995 15.826 13.875 12.103 10.479 8.977 7.574 6.254 5.004 3.811 2.666 1.558 -0.569 -0.990 -1.411 -1.833 -2.256 -2.683 -3.114 -3.549 -3.990 -4.439 -4.894 -5.358 -5.830 -6.308 -6.791 -7.276 -7.760 -8.239 99999.999 99999.999 99999.999 26.414 23.235 20.465 18.025 15.854 13.903 12.132 10.510 9.009 7.609 6.293 5.048 3.861 2.724 1.626 -0.485 -0.900 -1.315 -1.729 -2.145 -2.562 -2.982 -3.406 -3.833 -4.265 -4.702 -5.144 -5.591 -6.042 -6.497 -6.953 -7.408 -7.859 -8.303 99999.999 99999.999 26.456 23.270 20.495 18.054 15.882 13.931 12.161 10.540 9.041 7.644 6.332 5.090 3.909 2.778 1.688 -0.404 -0.815 -1.224 -1.632 -2.041 -2.450 -2.861 -3.274 -3.689 -4.108 -4.530 -4.956 -5.384 -5.816 -6.249 -6.683 -7.115 -7.544 -7.967 -8.381 -8.785 26.497 23.303 20.526 18.082 15.910 13.959 12.189 10.569 9.072 7.678 6.369 5.132 3.955 2.830 1.747 -0.328 -0.733 -1.137 -1.540 -1.942 -2.344 -2.747 -3.151 -3.557 -3.965 -4.375 -4.787 -5.201 -5.617 -6.033 -6.449 -6.864 -7.275 -7.681 -8.080 -8.470 26.873 23.613 20.803 18.343 16.162 14.209 12.444 10.835 9.354 7.982 6.700 5.496 4.358 3.278 2.247 0.304 -0.069 -0.438 -0.803 -1.165 -1.524 -1.879 -2.233 -2.584 -2.933 -3.280 -3.625 -3.969 -4.310 -4.650 -4.988 -5.324 -5.657 -5.988 -6.315 -6.640 27.197 23.880 21.042 18.566 16.378 14.423 12.661 11.059 9.590 8.234 6.973 5.793 4.683 3.634 2.638 0.779 0.425 0.076 -0.268 -0.607 -0.942 -1.274 -1.601 -1.925 -2.246 -2.564 -2.879 -3.192 -3.501 -3.809 -4.114 -4.416 -4.717 -5.015 -5.310 -5.604 27.480 24.111 21.248 18.759 16.564 14.608 12.848 11.251 9.791 8.447 7.202 6.041 4.952 3.927 2.957 1.159 0.818 0.484 0.154 -0.170 -0.490 -0.805 -1.115 -1.422 -1.725 -2.025 -2.321 -2.614 -2.903 -3.190 -3.475 -3.756 -4.035 -4.312 -4.587 -4.859 27.730 24.314 21.428 18.927 16.727 14.769 13.011 11.418 9.965 8.631 7.398 6.252 5.181 4.174 3.226 1.474 1.144 0.819 0.501 0.188 -0.120 -0.423 -0.722 -1.016 -1.306 -1.593 -1.875 -2.154 -2.430 -2.703 -2.972 -3.239 -3.503 -3.764 -4.023 -4.280 27.953 24.492 21.586 19.075 16.870 14.910 13.153 11.564 10.118 8.791 7.569 6.434 5.377 4.387 3.455 1.741 1.419 1.103 0.793 0.489 0.190 -0.104 -0.394 -0.678 -0.959 -1.235 -1.507 -1.776 -2.041 -2.302 -2.561 -2.816 -3.069 -3.319 -3.566 -3.811 28.153 24.651 21.726 19.205 16.995 15.035 13.279 11.693 10.251 8.932 7.718 6.594 5.548 4.571 3.653 1.971 1.655 1.346 1.043 0.746 0.454 0.168 -0.114 -0.391 -0.663 -0.932 -1.196 -1.456 -1.713 -1.966 -2.216 -2.463 -2.706 -2.947 -3.186 -3.421 28.334 24.794 21.850 19.320 17.106 15.145 13.390 11.807 10.370 9.056 7.849 6.734 5.698 4.732 3.826 2.170 1.861 1.558 1.260 0.969 0.683 0.403 0.128 -0.143 -0.409 -0.671 -0.928 -1.182 -1.432 -1.678 -1.921 -2.161 -2.398 -2.631 -2.862 -3.091 99999.999 24.922 21.961 19.422 17.205 15.243 13.489 11.909 10.475 9.167 7.966 6.858 5.830 4.874 3.979 2.346 2.041 1.743 1.451 1.164 0.884 0.608 0.338 0.073 -0.188 -0.444 -0.696 -0.944 -1.188 -1.429 -1.666 -1.900 -2.131 -2.359 -2.584 -2.807 S3O6-2 S3O6(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 3.000 1 2.000 4 1.000 6 -2.000 2 9.182 7.788 6.397 5.055 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.182 7.788 6.397 5.055 3.764 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.183 7.789 6.398 5.055 3.764 2.518 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-17.329 -18.012 -18.691 99999.999 99999.999 99999.999 9.731 8.172 6.724 5.370 4.094 2.884 1.727 0.614 -0.467 -1.523 -2.562 -3.590 -4.612 -5.634 -6.664 -8.780 -9.221 -9.671 -10.129 -10.599 -11.081 -11.576 -12.086 -12.612 -13.155 -13.716 -14.293 -14.887 -15.495 -16.115 -16.743 -17.375 -18.005 -18.628 99999.999 99999.999 9.755 8.188 6.738 5.382 4.107 2.899 1.744 0.634 -0.442 -1.494 -2.527 -3.547 -4.561 -5.572 -6.588 -8.671 -9.102 -9.540 -9.986 -10.442 -10.907 -11.384 -11.873 -12.375 -12.891 -13.420 -13.964 -14.521 -15.090 -15.669 -16.255 -16.844 -17.434 -18.020 -18.597 -19.162 9.778 8.203 6.751 5.395 4.120 2.913 1.761 0.654 -0.418 -1.465 -2.492 -3.506 -4.511 -5.513 -6.517 -8.567 -8.989 -9.418 -9.853 -10.296 -10.747 -11.208 -11.679 -12.161 -12.655 -13.160 -13.676 -14.203 -14.741 -15.286 -15.838 -16.394 -16.950 -17.504 -18.052 -18.590 9.977 8.334 6.858 5.498 4.230 3.037 1.905 0.825 -0.213 -1.218 -2.197 -3.154 -4.093 -5.019 -5.935 -7.755 -8.119 -8.485 -8.852 -9.220 -9.590 -9.962 -10.337 -10.714 -11.093 -11.475 -11.860 -12.248 -12.638 -13.030 -13.424 -13.820 -14.217 -14.614 -15.011 -15.407 10.129 8.427 6.933 5.570 4.308 3.127 2.013 0.954 -0.057 -1.030 -1.971 -2.886 -3.777 -4.650 -5.507 -7.186 -7.517 -7.848 -8.179 -8.509 -8.838 -9.168 -9.498 -9.828 -10.158 -10.489 -10.820 -11.152 -11.484 -11.818 -12.151 -12.485 -12.820 -13.155 -13.489 -13.824 10.243 8.490 6.980 5.616 4.360 3.190 2.091 1.051 0.062 -0.885 -1.796 -2.676 -3.531 -4.363 -5.175 -6.752 -7.062 -7.369 -7.675 -7.980 -8.283 -8.586 -8.888 -9.188 -9.489 -9.788 -10.088 -10.387 -10.685 -10.984 -11.282 -11.580 -11.878 -12.176 -12.474 -12.771 10.326 8.527 7.005 5.641 4.392 3.232 2.146 1.123 0.153 -0.772 -1.658 -2.510 -3.334 -4.133 -4.910 -6.409 -6.701 -6.991 -7.279 -7.565 -7.850 -8.133 -8.414 -8.695 -8.974 -9.252 -9.529 -9.805 -10.080 -10.355 -10.629 -10.902 -11.176 -11.448 -11.720 -11.992 10.384 8.543 7.010 5.648 4.405 3.255 2.182 1.174 0.221 -0.685 -1.549 -2.378 -3.176 -3.948 -4.695 -6.130 -6.409 -6.685 -6.959 -7.230 -7.500 -7.768 -8.034 -8.298 -8.561 -8.823 -9.083 -9.342 -9.600 -9.857 -10.114 -10.369 -10.624 -10.878 -11.131 -11.384 10.422 8.543 7.000 5.638 4.403 3.263 2.202 1.208 0.270 -0.619 -1.465 -2.273 -3.049 -3.797 -4.519 -5.900 -6.168 -6.432 -6.695 -6.955 -7.212 -7.468 -7.721 -7.973 -8.223 -8.472 -8.719 -8.965 -9.209 -9.452 -9.695 -9.936 -10.176 -10.416 -10.655 -10.893 10.442 8.527 6.975 5.616 4.387 3.257 2.208 1.226 0.303 -0.571 -1.400 -2.190 -2.947 -3.674 -4.375 -5.710 -5.967 -6.222 -6.475 -6.725 -6.972 -7.218 -7.461 -7.702 -7.942 -8.180 -8.416 -8.651 -8.884 -9.116 -9.347 -9.577 -9.806 -10.034 -10.261 -10.488 99999.999 8.499 6.938 5.581 4.360 3.240 2.202 1.232 0.322 -0.537 -1.351 -2.126 -2.865 -3.574 -4.256 -5.550 -5.800 -6.046 -6.290 -6.532 -6.771 -7.007 -7.242 -7.474 -7.705 -7.934 -8.161 -8.387 -8.611 -8.834 -9.055 -9.276 -9.496 -9.714 -9.932 -10.149 S3O6-2 S3O6(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 4.000 1 3.000 4 -2.000 31 -2.000 2 161.281 146.105 132.836 121.168 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 161.281 146.105 132.837 121.168 110.813 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 161.284 146.107 132.839 121.170 110.815 101.536 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 161.289 146.111 132.843 121.174 110.818 101.540 93.147 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 161.297 146.119 132.849 121.180 110.825 101.546 93.154 85.492 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 161.310 146.130 132.860 121.191 110.835 101.556 93.165 85.504 78.444 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 161.330 146.147 132.876 121.206 110.850 101.572 93.181 85.522 78.464 71.887 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 161.359 146.172 132.898 121.228 110.871 101.594 93.204 85.547 78.492 71.921 65.715 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 161.398 146.206 132.930 121.258 110.901 101.624 93.236 85.582 78.531 71.966 65.773 59.819 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 161.450 146.251 132.971 121.298 110.941 101.664 93.278 85.627 78.582 72.027 65.848 59.921 54.080 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 161.518 146.310 133.025 121.349 110.992 101.716 93.333 85.686 78.648 72.104 65.943 60.050 54.272 48.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 161.605 146.385 133.095 121.416 111.057 101.783 93.402 85.761 78.731 72.200 66.063 60.207 54.501 48.723 42.142 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 161.672 146.442 133.148 121.467 111.107 101.834 93.456 85.819 78.795 72.274 66.152 60.324 54.667 48.990 42.760 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 161.767 146.525 133.223 121.539 111.179 101.906 93.531 85.899 78.884 72.376 66.276 60.484 54.890 49.334 43.426 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 161.861 146.606 133.298 121.610 111.249 101.977 93.605 85.978 78.971 72.476 66.395 60.636 55.097 49.642 43.966 29.764 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 161.954 146.686 133.372 121.681 111.318 102.047 93.678 86.056 79.056 72.572 66.510 60.779 55.289 49.921 44.428 33.596 29.967 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 162.046 146.765 133.445 121.750 111.386 102.116 93.749 86.132 79.139 72.666 66.620 60.916 55.470 50.176 44.833 34.761 32.183 29.100 25.165 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 162.137 146.843 133.516 121.819 111.454 102.184 93.819 86.206 79.221 72.757 66.727 61.047 55.639 50.410 45.193 35.475 33.228 30.778 27.999 24.741 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 162.227 146.921 133.587 121.886 111.520 102.251 93.888 86.279 79.300 72.846 66.830 61.172 55.798 50.625 45.515 36.005 33.924 31.739 29.396 26.825 23.951 20.731 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 162.316 146.997 133.658 121.953 111.586 102.317 93.956 86.351 79.378 72.933 66.930 61.292 55.948 50.824 45.805 36.434 34.455 32.416 30.291 28.043 25.630 23.014 20.176 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 162.405 147.073 133.727 122.019 111.650 102.382 94.023 86.422 79.454 73.017 67.026 61.406 56.090 51.009 46.065 36.799 34.890 32.946 30.951 28.884 26.722 24.438 22.014 19.441 16.736 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 162.492 147.148 133.795 122.084 111.714 102.446 94.089 86.491 79.529 73.100 67.120 61.516 56.224 51.179 46.301 37.119 35.262 33.385 31.478 29.527 27.518 25.434 23.261 20.989 18.617 16.157 13.634 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 162.578 147.222 133.863 122.149 111.777 102.509 94.154 86.559 79.602 73.181 67.211 61.622 56.351 51.338 46.513 37.406 35.589 33.762 31.919 30.050 28.144 26.191 24.181 22.104 19.959 17.746 15.478 13.170 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 162.664 147.295 133.930 122.212 111.839 102.571 94.218 86.626 79.674 73.260 67.300 61.724 56.472 51.486 46.706 37.667 35.882 34.095 32.301 30.492 28.661 26.800 24.902 22.961 20.972 18.935 16.855 14.739 12.604 10.463 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 162.748 147.367 133.997 122.275 111.901 102.633 94.281 86.692 79.745 73.337 67.386 61.822 56.587 51.625 46.881 37.906 36.148 34.394 32.639 30.877 29.102 27.310 25.494 23.650 21.774 19.865 17.924 15.956 13.968 11.973 9.983 99999.999 99999.999 99999.999 99999.999 99999.999 162.832 147.439 134.062 122.338 111.961 102.693 94.343 86.757 79.814 73.412 67.470 61.918 56.697 51.755 47.041 38.128 36.394 34.666 32.943 31.219 29.489 27.750 25.997 24.226 22.434 20.620 18.784 16.928 15.058 13.180 11.303 9.439 7.596 99999.999 99999.999 99999.999 162.915 147.510 134.127 122.399 112.022 102.753 94.404 86.821 79.882 73.486 67.552 62.010 56.802 51.878 47.189 38.336 36.621 34.917 33.220 31.527 29.834 28.138 26.434 24.720 22.993 21.253 19.498 17.729 15.951 14.167 12.384 10.609 8.850 7.117 99999.999 99999.999 162.997 147.581 134.191 122.460 112.081 102.812 94.464 86.884 79.949 73.559 67.632 62.099 56.904 51.995 47.327 38.531 36.834 35.150 33.476 31.809 30.146 28.485 26.821 25.153 23.479 21.796 20.105 18.406 16.701 14.993 13.286 11.587 9.900 8.233 6.593 4.986 163.079 147.650 134.255 122.520 112.140 102.871 94.524 86.946 80.015 73.630 67.710 62.187 57.003 52.108 47.458 38.716 37.034 35.367 33.713 32.069 30.432 28.800 27.170 25.539 23.907 22.272 20.632 18.989 17.344 15.697 14.054 12.417 10.792 9.184 7.597 6.038 163.855 148.312 134.859 123.091 112.693 103.421 95.081 87.522 80.622 74.281 68.417 62.964 57.866 53.076 48.555 40.174 38.586 37.024 35.486 33.970 32.474 30.997 29.538 28.096 26.669 25.256 23.858 22.472 21.100 19.739 18.391 17.055 15.731 14.420 13.122 11.838 164.570 148.921 135.411 123.611 113.196 103.916 95.580 88.033 81.153 74.842 69.017 63.612 58.573 53.851 49.409 41.231 39.693 38.183 36.700 35.244 33.811 32.402 31.014 29.648 28.301 26.973 25.664 24.371 23.096 21.836 20.591 19.362 18.147 16.946 15.759 14.586 165.238 149.486 135.923 124.091 113.658 104.370 96.033 88.493 81.628 75.338 69.541 64.172 59.175 54.502 50.116 42.074 40.567 39.090 37.642 36.221 34.827 33.458 32.112 30.789 29.488 28.208 26.948 25.706 24.483 23.278 22.089 20.917 19.761 18.619 17.493 16.380 165.868 150.016 136.400 124.537 114.086 104.789 96.449 88.913 82.058 75.784 70.009 64.666 59.701 55.066 50.721 42.778 41.293 39.840 38.416 37.020 35.652 34.310 32.993 31.699 30.428 29.179 27.951 26.743 25.554 24.384 23.231 22.095 20.976 19.873 18.785 17.712 166.467 150.516 136.848 124.956 114.486 105.179 96.836 89.302 82.453 76.190 70.431 65.109 60.169 55.563 51.251 43.383 41.916 40.480 39.074 37.697 36.349 35.026 33.729 32.457 31.208 29.981 28.776 27.592 26.427 25.281 24.154 23.044 21.951 20.875 19.814 18.768 167.040 150.991 137.272 125.350 114.862 105.544 97.197 89.663 82.818 76.564 70.817 65.512 60.591 56.008 51.723 43.915 42.461 41.039 39.647 38.285 36.951 35.644 34.363 33.107 31.874 30.665 29.477 28.310 27.163 26.036 24.927 23.837 22.763 21.706 20.665 19.640 167.592 151.446 137.676 125.723 115.217 105.889 97.536 90.001 83.159 76.911 71.174 65.881 60.976 56.412 52.148 44.389 42.946 41.535 40.154 38.804 37.482 36.187 34.919 33.675 32.456 31.259 30.085 28.932 27.799 26.686 25.592 24.516 23.457 22.415 21.390 20.379 99999.999 151.883 138.062 126.078 115.554 106.215 97.856 90.319 83.479 77.235 71.505 66.223 61.331 56.782 52.535 44.817 43.382 41.980 40.609 39.268 37.956 36.671 35.412 34.179 32.970 31.784 30.621 29.479 28.357 27.256 26.173 25.109 24.062 23.032 22.018 21.019 S4O6-2 S4O6(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 4.250 1 2.250 4 1.750 6 -3.000 2 -17.489 -17.171 -17.215 -17.479 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.489 -17.171 -17.215 -17.479 -17.901 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.487 -17.170 -17.214 -17.478 -17.900 -18.446 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.484 -17.168 -17.212 -17.476 -17.898 -18.444 -19.098 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.480 -17.165 -17.209 -17.474 -17.895 -18.441 -19.094 -19.848 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.473 -17.159 -17.204 -17.469 -17.890 -18.435 -19.088 -19.840 -20.694 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 6.000 1 4.000 4 -3.500 31 -3.000 2 248.684 224.883 204.054 185.720 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 248.684 224.883 204.054 185.720 169.435 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 248.689 224.887 204.058 185.723 169.438 154.835 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 249.782 225.853 204.956 186.586 170.288 155.695 142.510 130.496 119.455 109.222 99.650 90.600 81.927 73.446 64.773 47.551 41.762 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 249.932 225.986 205.079 186.704 170.404 155.811 142.630 130.622 119.593 109.376 99.830 90.821 82.215 73.850 65.411 49.420 45.321 40.412 34.149 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 250.082 226.117 205.201 186.820 170.518 155.926 142.748 130.747 119.727 109.526 100.003 91.031 82.485 74.221 65.978 50.561 46.995 43.102 38.683 33.501 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 250.229 226.247 205.322 186.936 170.631 156.039 142.865 130.869 119.859 109.672 100.171 91.233 82.740 74.563 66.486 51.407 48.107 44.639 40.918 36.832 32.265 27.152 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 250.376 226.376 205.441 187.050 170.743 156.151 142.980 130.990 119.988 109.815 100.334 91.426 82.981 74.880 66.944 52.092 48.953 45.720 42.348 38.778 34.946 30.790 26.285 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 250.521 226.504 205.560 187.163 170.854 156.262 143.093 131.108 120.115 109.955 100.492 91.612 83.208 75.173 67.356 52.673 49.647 46.565 43.401 40.122 36.689 33.063 29.213 25.130 20.837 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 250.665 226.630 205.677 187.275 170.963 156.371 143.204 131.225 120.240 110.091 100.646 91.790 83.424 75.446 67.729 53.183 50.239 47.264 44.241 41.147 37.959 34.651 31.201 27.594 23.829 19.927 15.924 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 250.807 226.756 205.793 187.385 171.071 156.479 143.314 131.340 120.362 110.224 100.795 91.962 83.629 75.700 68.066 53.640 50.760 47.866 44.943 41.979 38.956 35.857 32.667 29.371 25.966 22.454 18.853 15.191 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 250.948 226.880 205.907 187.495 171.178 156.586 143.423 131.453 120.483 110.355 100.940 92.128 83.824 75.937 68.373 54.055 51.227 48.396 45.551 42.683 39.779 36.827 33.816 30.735 27.578 24.345 21.043 17.686 14.296 10.899 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 251.088 227.003 206.021 187.603 171.283 156.691 143.530 131.564 120.601 110.483 101.082 92.289 84.010 76.160 68.652 54.437 51.652 48.872 46.089 43.296 40.482 37.639 34.759 31.833 28.855 25.825 22.744 19.619 16.465 13.297 10.138 99999.999 99999.999 99999.999 99999.999 99999.999 251.227 227.125 206.134 187.710 171.388 156.795 143.636 131.674 120.717 110.609 101.221 92.444 84.188 76.370 68.909 54.792 52.043 49.306 46.574 43.840 41.098 38.339 35.558 32.749 29.906 27.027 24.112 21.167 18.197 15.215 12.235 9.273 6.346 99999.999 99999.999 99999.999 251.364 227.246 206.245 187.816 171.491 156.898 143.740 131.782 120.832 110.732 101.356 92.595 84.360 76.568 69.146 55.123 52.406 49.705 47.015 44.331 41.647 38.956 36.254 33.535 30.795 28.033 25.248 22.441 19.617 16.784 13.953 11.133 8.339 5.584 99999.999 99999.999 251.501 227.365 206.356 187.922 171.594 157.000 143.844 131.889 120.944 110.853 101.488 92.742 84.525 76.758 69.367 55.435 52.745 50.076 47.422 44.780 42.144 39.508 36.870 34.224 31.567 28.897 26.213 23.516 20.809 18.097 15.387 12.687 10.008 7.359 4.752 2.195 251.636 227.484 206.466 188.026 171.695 157.101 143.946 131.995 121.055 110.973 101.618 92.885 84.685 76.940 69.578 55.730 53.064 50.422 47.800 45.194 42.598 40.010 37.424 34.838 32.248 29.653 27.052 24.444 21.831 19.218 16.608 14.008 11.426 8.870 6.348 3.869 252.933 228.621 207.514 189.020 172.660 158.054 144.907 132.981 122.086 112.066 102.796 94.170 86.101 78.518 71.354 58.069 55.552 53.074 50.634 48.228 45.855 43.512 41.196 38.907 36.642 34.400 32.180 29.980 27.800 25.640 23.498 21.376 19.273 17.190 15.128 13.087 254.142 229.679 208.486 189.939 173.547 158.927 145.779 133.867 123.000 113.023 103.809 95.255 87.274 79.794 72.753 59.781 57.339 54.943 52.589 50.276 48.002 45.763 43.560 41.389 39.250 37.141 35.060 33.006 30.979 28.977 26.999 25.045 23.113 21.204 19.317 17.452 255.281 230.672 209.396 190.798 174.373 159.735 146.582 134.676 123.827 113.879 104.706 96.204 88.286 80.878 73.922 61.156 58.763 56.417 54.117 51.860 49.645 47.468 45.330 43.227 41.159 39.123 37.119 35.145 33.200 31.282 29.392 27.527 25.687 23.871 22.078 20.309 256.364 231.612 210.255 191.606 175.148 160.490 147.329 135.425 124.586 114.659 105.515 97.051 89.179 81.827 74.933 62.316 59.957 57.647 55.384 53.165 50.990 48.855 46.760 44.702 42.680 40.693 38.738 36.816 34.923 33.060 31.225 29.417 27.635 25.878 24.146 22.437 257.402 232.509 211.072 192.371 175.881 161.202 148.030 136.124 125.291 115.377 106.255 97.820 89.984 82.673 75.827 63.324 60.990 58.707 56.471 54.281 52.134 50.030 47.966 45.940 43.952 41.999 40.079 38.193 36.338 34.512 32.716 30.948 29.206 27.491 25.800 24.133 258.403 233.369 211.852 193.101 176.577 161.877 148.693 136.781 125.951 116.046 106.940 98.526 90.717 83.440 76.631 64.217 61.903 59.640 57.425 55.257 53.133 51.052 49.012 47.010 45.047 43.119 41.226 39.367 37.539 35.742 33.974 32.235 30.523 28.838 27.177 25.541 259.373 234.198 212.601 193.799 177.242 162.520 149.322 137.404 126.574 116.674 107.579 99.181 91.394 84.142 77.364 65.021 62.722 60.475 58.277 56.126 54.020 51.957 49.936 47.953 46.009 44.102 42.229 40.390 38.584 36.808 35.063 33.346 31.656 29.993 28.356 26.744 99999.999 235.003 213.323 194.470 177.879 163.135 149.923 137.997 127.164 117.268 108.180 99.794 92.023 84.792 78.038 65.752 63.467 61.233 59.048 56.911 54.819 52.771 50.764 48.797 46.869 44.977 43.121 41.298 39.508 37.750 36.021 34.322 32.650 31.005 29.385 27.791 S5O6-2 S5O6(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 5.500 1 2.500 4 2.500 6 -4.000 2 -13.607 -13.250 -13.316 -13.644 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -13.607 -13.250 -13.316 -13.644 -14.161 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -13.606 -13.249 -13.315 -13.643 -14.160 -14.827 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-18.115 -18.773 -19.443 -20.815 -21.094 -21.374 -21.656 -21.939 -22.224 -22.510 -22.797 -23.086 -23.377 -23.669 -23.962 -24.257 -24.554 -24.852 -25.153 -25.454 -25.758 -26.063 -26.370 -26.679 -12.753 -13.032 -13.220 -13.464 -13.782 -14.170 -14.615 -15.106 -15.631 -16.184 -16.759 -17.351 -17.958 -18.577 -19.206 -20.492 -20.753 -21.015 -21.279 -21.544 -21.810 -22.077 -22.345 -22.615 -22.886 -23.158 -23.431 -23.706 -23.983 -24.261 -24.540 -24.821 -25.104 -25.388 -25.674 -25.961 99999.999 -13.172 -13.357 -13.585 -13.883 -14.247 -14.667 -15.132 -15.630 -16.155 -16.701 -17.262 -17.835 -18.420 -19.013 -20.224 -20.470 -20.716 -20.964 -21.213 -21.463 -21.714 -21.966 -22.219 -22.474 -22.729 -22.986 -23.244 -23.504 -23.765 -24.027 -24.291 -24.556 -24.823 -25.091 -25.361 S5O6-2 S5O6(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 8.000 1 5.000 4 -5.000 31 -4.000 2 366.640 332.543 302.782 276.640 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 366.640 332.543 302.782 276.640 253.461 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 366.645 332.547 302.787 276.644 253.465 232.718 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 366.655 332.556 302.795 276.652 253.473 232.726 213.981 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 366.672 332.571 302.809 276.665 253.486 232.739 213.995 196.905 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 366.699 332.595 302.831 276.687 253.507 232.761 214.018 196.929 181.204 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 366.739 332.630 302.864 276.719 253.539 232.793 214.052 196.966 181.245 166.627 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 366.796 332.681 302.911 276.764 253.584 232.839 214.100 197.019 181.304 166.696 152.936 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 366.875 332.751 302.977 276.827 253.647 232.902 214.166 197.090 181.384 166.790 153.054 139.895 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 366.981 332.844 303.064 276.911 253.730 232.987 214.255 197.186 181.491 166.914 153.208 140.105 127.247 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 367.118 332.965 303.177 277.020 253.837 233.096 214.369 197.309 181.628 167.074 153.405 140.369 127.642 114.630 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 367.294 333.121 303.321 277.159 253.975 233.236 214.515 197.465 181.801 167.274 153.651 140.693 128.113 115.439 101.100 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 367.430 333.241 303.433 277.267 254.081 233.344 214.627 197.585 181.934 167.426 153.835 140.933 128.453 115.990 102.418 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 367.623 333.411 303.592 277.419 254.232 233.496 214.785 197.754 182.120 167.639 154.092 141.262 128.910 116.698 103.812 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 367.815 333.580 303.749 277.570 254.380 233.646 214.941 197.920 182.302 167.846 154.338 141.573 129.334 117.330 104.928 72.943 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 368.005 333.748 303.904 277.719 254.527 233.794 215.094 198.083 182.480 168.047 154.575 141.870 129.730 117.901 105.876 81.651 73.535 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 368.192 333.913 304.058 277.866 254.672 233.940 215.245 198.243 182.654 168.242 154.804 142.152 130.100 118.423 106.705 84.263 78.534 71.676 62.969 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 368.378 334.077 304.210 278.012 254.815 234.085 215.394 198.400 182.824 168.433 155.025 142.422 130.448 118.902 107.440 85.835 80.863 75.431 69.272 62.073 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 368.563 334.239 304.361 278.156 254.957 234.227 215.540 198.555 182.991 168.618 155.240 142.680 130.775 119.343 108.098 86.989 82.391 77.559 72.376 66.690 60.351 53.288 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 368.746 334.400 304.510 278.299 255.096 234.367 215.685 198.706 183.155 168.800 155.447 142.928 131.084 119.751 108.689 87.916 83.545 79.043 74.348 69.382 64.056 58.293 52.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 368.927 334.559 304.657 278.440 255.235 234.506 215.827 198.856 183.315 168.977 155.649 143.165 131.376 120.130 109.221 88.698 84.483 80.193 75.790 71.229 66.458 61.423 56.087 50.442 44.524 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 369.106 334.717 304.803 278.579 255.371 234.643 215.967 199.003 183.473 169.150 155.844 143.394 131.653 120.481 109.703 89.381 85.280 81.139 76.932 72.630 68.199 63.605 58.819 53.821 48.616 43.230 37.720 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 369.284 334.873 304.948 278.718 255.507 234.778 216.106 199.148 183.628 169.320 156.035 143.614 131.916 120.809 110.139 89.989 85.978 81.948 77.883 73.761 69.559 65.255 60.827 56.258 51.541 46.684 41.712 36.665 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 369.461 335.029 305.092 278.854 255.641 234.912 216.242 199.291 183.780 169.486 156.220 143.826 132.167 121.115 110.536 90.541 86.601 82.659 78.701 74.712 70.676 66.576 62.396 58.122 53.747 49.270 44.702 40.064 35.386 30.704 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 369.636 335.182 305.234 278.990 255.773 235.044 216.377 199.431 183.930 169.648 156.401 144.031 132.406 121.402 110.898 91.046 87.166 83.295 79.422 75.537 71.626 67.677 63.677 59.617 55.489 51.290 47.024 42.702 38.342 33.968 29.608 99999.999 99999.999 99999.999 99999.999 99999.999 369.810 335.335 305.375 279.124 255.904 235.175 216.511 199.570 184.077 169.808 156.577 144.230 132.635 121.673 111.230 91.515 87.684 83.872 80.069 76.267 72.454 68.622 64.760 60.861 56.918 52.927 48.890 44.812 40.703 36.580 32.462 28.371 24.328 99999.999 99999.999 99999.999 369.982 335.486 305.514 279.257 256.034 235.304 216.642 199.707 184.222 169.965 156.749 144.423 132.855 121.929 111.537 91.952 88.164 84.402 80.657 76.923 73.191 69.452 65.699 61.925 58.124 54.294 50.434 46.546 42.638 38.718 34.801 30.903 27.041 23.232 99999.999 99999.999 370.153 335.636 305.653 279.389 256.162 235.432 216.772 199.842 184.365 170.118 156.918 144.611 133.067 122.173 111.824 92.362 88.611 84.892 81.198 77.521 73.855 70.192 66.527 62.854 59.167 55.464 51.744 48.008 44.259 40.504 36.754 33.018 29.312 25.648 22.040 18.502 370.323 335.784 305.790 279.520 256.290 235.559 216.901 199.975 184.506 170.270 157.083 144.794 133.273 122.408 112.097 92.749 89.032 85.350 81.699 78.071 74.461 70.862 67.270 63.679 60.085 56.486 52.879 49.264 45.645 42.026 38.413 34.815 31.241 27.704 24.213 20.781 371.951 337.210 307.104 280.767 257.501 236.759 218.112 201.221 185.810 171.658 158.583 146.434 135.087 124.437 114.392 95.801 92.284 88.825 85.420 82.065 78.757 75.493 72.270 69.085 65.936 62.820 59.736 56.682 53.658 50.661 47.692 44.751 41.838 38.953 36.098 33.273 373.475 338.540 308.326 281.923 258.618 237.859 219.213 202.341 186.968 172.873 159.873 147.819 136.588 126.074 116.190 98.016 94.601 91.251 87.962 84.731 81.556 78.434 75.361 72.336 69.356 66.420 63.524 60.668 57.850 55.068 52.322 49.610 46.930 44.283 41.668 39.084 374.915 339.793 309.473 283.005 259.660 238.879 220.229 203.366 188.017 173.961 161.015 149.029 137.879 127.463 117.690 99.790 96.439 93.156 89.938 86.783 83.686 80.646 77.660 74.725 71.840 69.002 66.209 63.460 60.752 58.084 55.455 52.863 50.306 47.785 45.297 42.841 376.288 340.981 310.559 284.026 260.639 239.835 221.174 204.315 188.981 174.952 162.045 150.109 139.021 128.676 118.986 101.283 97.977 94.741 91.572 88.467 85.424 82.439 79.510 76.635 73.812 71.038 68.311 65.630 62.992 60.396 57.841 55.325 52.846 50.403 47.995 45.621 377.608 342.117 311.592 284.994 261.567 240.736 222.063 205.202 189.877 175.866 162.987 151.090 140.049 129.759 120.132 102.578 99.305 96.104 92.971 89.904 86.899 83.954 81.067 78.235 75.455 72.726 70.046 67.413 64.824 62.279 59.775 57.311 54.886 52.497 50.144 47.826 378.883 343.209 312.581 285.919 262.449 241.592 222.904 206.038 190.717 176.718 163.860 151.991 140.986 130.739 121.162 103.724 100.478 97.303 94.198 91.160 88.185 85.270 82.414 79.614 76.868 74.173 71.527 68.929 66.377 63.869 61.403 58.977 56.591 54.242 51.929 49.652 380.122 344.265 313.532 286.805 263.293 242.409 223.704 206.830 191.509 177.519 164.675 152.828 141.851 131.638 122.100 104.756 101.530 98.377 95.294 92.278 89.326 86.435 83.604 80.829 78.108 75.439 72.820 70.250 67.725 65.245 62.808 60.412 58.055 55.736 53.454 51.207 99999.999 345.290 314.451 287.658 264.104 243.191 224.469 207.585 192.262 178.275 165.442 153.610 142.655 132.470 122.964 105.694 102.485 99.349 96.284 93.286 90.353 87.481 84.669 81.914 79.214 76.566 73.969 71.420 68.917 66.459 64.044 61.671 59.337 57.042 54.783 52.560 Sb(OH)4- Sb(OH)4(-) P-T:All Charge =-1. Radius(Å) = 2.00 Alk. = 0.000 Ref: Shock07 3 -1.000 1 1.000 2 1.000 24 12.083 11.479 11.017 10.660 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.083 11.479 11.017 10.660 10.386 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.082 11.478 11.016 10.660 10.385 10.177 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.081 11.477 11.015 10.659 10.384 10.176 10.022 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.079 11.475 11.013 10.657 10.383 10.174 10.021 9.914 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.075 11.472 11.010 10.654 10.380 10.171 10.018 9.911 9.847 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.070 11.467 11.006 10.650 10.375 10.167 10.013 9.907 9.842 9.818 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.063 11.460 10.999 10.643 10.369 10.161 10.007 9.900 9.836 9.811 9.829 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.053 11.450 10.990 10.635 10.361 10.153 9.999 9.892 9.826 9.801 9.817 9.881 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.039 11.438 10.978 10.623 10.349 10.141 9.988 9.880 9.814 9.787 9.801 9.861 9.987 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.021 11.421 10.962 10.608 10.335 10.127 9.973 9.865 9.798 9.770 9.781 9.836 9.951 10.169 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.998 11.399 10.942 10.588 10.316 10.108 9.954 9.846 9.778 9.748 9.755 9.805 9.908 10.095 10.510 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.981 11.383 10.926 10.573 10.301 10.093 9.939 9.831 9.762 9.731 9.736 9.782 9.877 10.046 10.380 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.955 11.359 10.903 10.552 10.280 10.073 9.919 9.809 9.740 9.707 9.709 9.750 9.835 9.984 10.253 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.930 11.335 10.881 10.530 10.259 10.052 9.898 9.789 9.718 9.683 9.683 9.719 9.796 9.929 10.156 12.009 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.905 11.312 10.859 10.509 10.238 10.032 9.878 9.768 9.697 9.660 9.658 9.689 9.760 9.878 10.075 10.937 11.520 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.880 11.288 10.837 10.487 10.218 10.011 9.857 9.747 9.675 9.638 9.633 9.661 9.725 9.832 10.006 10.626 10.917 11.350 11.984 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.855 11.265 10.814 10.466 10.197 9.991 9.837 9.727 9.654 9.616 9.609 9.633 9.692 9.790 9.944 10.448 10.646 10.908 11.261 11.731 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.831 11.242 10.792 10.445 10.177 9.971 9.817 9.707 9.633 9.594 9.585 9.607 9.660 9.750 9.888 10.321 10.474 10.664 10.903 11.207 11.585 12.037 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.806 11.219 10.771 10.424 10.156 9.951 9.797 9.687 9.613 9.572 9.562 9.581 9.630 9.712 9.838 10.222 10.348 10.499 10.681 10.902 11.170 11.490 11.860 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.781 11.196 10.749 10.403 10.136 9.932 9.778 9.667 9.593 9.551 9.539 9.555 9.600 9.677 9.791 10.140 10.248 10.374 10.522 10.696 10.902 11.143 11.422 11.736 12.080 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.757 11.173 10.727 10.383 10.116 9.912 9.758 9.647 9.572 9.530 9.516 9.531 9.572 9.643 9.749 10.069 10.164 10.274 10.399 10.544 10.711 10.903 11.123 11.371 11.645 11.940 12.250 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.733 11.150 10.706 10.362 10.096 9.892 9.739 9.628 9.552 9.509 9.494 9.507 9.545 9.611 9.709 10.006 10.092 10.189 10.298 10.422 10.563 10.723 10.904 11.106 11.330 11.574 11.833 12.103 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.709 11.127 10.684 10.341 10.076 9.873 9.720 9.608 9.533 9.489 9.473 9.483 9.519 9.581 9.672 9.950 10.028 10.115 10.212 10.322 10.444 10.581 10.735 10.905 11.093 11.297 11.516 11.747 11.987 12.231 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.685 11.105 10.663 10.321 10.057 9.854 9.701 9.589 9.513 9.468 9.451 9.460 9.493 9.552 9.637 9.898 9.970 10.049 10.137 10.235 10.344 10.465 10.598 10.745 10.906 11.081 11.268 11.468 11.676 11.891 12.109 99999.999 99999.999 99999.999 99999.999 99999.999 11.661 11.082 10.641 10.301 10.037 9.834 9.682 9.570 9.494 9.448 9.430 9.438 9.469 9.524 9.604 9.850 9.917 9.990 10.071 10.160 10.258 10.365 10.484 10.613 10.754 10.906 11.070 11.244 11.426 11.616 11.811 12.008 12.205 99999.999 99999.999 99999.999 11.637 11.060 10.620 10.280 10.017 9.815 9.663 9.551 9.475 9.429 9.410 9.415 9.445 9.497 9.573 9.806 9.868 9.936 10.011 10.092 10.182 10.279 10.386 10.501 10.627 10.762 10.906 11.060 11.222 11.390 11.564 11.742 11.921 12.101 99999.999 99999.999 11.613 11.038 10.599 10.260 9.998 9.796 9.644 9.532 9.456 9.409 9.389 9.394 9.421 9.471 9.543 9.764 9.822 9.886 9.955 10.031 10.113 10.203 10.300 10.404 10.517 10.639 10.768 10.906 11.050 11.202 11.358 11.519 11.682 11.846 12.010 12.173 11.590 11.015 10.578 10.240 9.978 9.777 9.625 9.514 9.437 9.390 9.369 9.372 9.398 9.445 9.515 9.725 9.779 9.839 9.904 9.975 10.051 10.134 10.223 10.319 10.422 10.532 10.650 10.774 10.905 11.041 11.183 11.329 11.478 11.629 11.780 11.932 11.359 10.797 10.371 10.043 9.788 9.592 9.443 9.333 9.255 9.205 9.179 9.173 9.187 9.218 9.266 9.409 9.445 9.483 9.525 9.568 9.615 9.664 9.716 9.770 9.828 9.888 9.950 10.015 10.083 10.153 10.226 10.301 10.378 10.457 10.537 10.619 11.135 10.586 10.171 9.852 9.605 9.415 9.270 9.162 9.085 9.033 9.004 8.994 9.001 9.023 9.059 9.169 9.197 9.226 9.257 9.290 9.325 9.361 9.400 9.440 9.481 9.524 9.569 9.615 9.663 9.712 9.763 9.815 9.869 9.923 9.979 10.036 10.919 10.381 9.977 9.667 9.427 9.243 9.103 8.998 8.922 8.871 8.841 8.828 8.832 8.848 8.877 8.968 8.990 9.015 9.040 9.067 9.096 9.126 9.157 9.189 9.222 9.257 9.293 9.330 9.368 9.407 9.448 9.489 9.531 9.574 9.618 9.663 10.708 10.180 9.787 9.486 9.254 9.076 8.941 8.839 8.766 8.716 8.686 8.672 8.673 8.687 8.712 8.790 8.810 8.830 8.853 8.876 8.901 8.926 8.953 8.981 9.009 9.039 9.070 9.101 9.134 9.167 9.201 9.236 9.272 9.309 9.346 9.384 10.501 9.984 9.601 9.310 9.085 8.914 8.783 8.686 8.615 8.567 8.538 8.524 8.524 8.536 8.558 8.628 8.646 8.665 8.684 8.705 8.727 8.750 8.774 8.799 8.824 8.851 8.878 8.906 8.935 8.965 8.995 9.026 9.058 9.090 9.123 9.157 10.297 9.792 9.419 9.136 8.920 8.754 8.629 8.536 8.469 8.423 8.395 8.382 8.382 8.393 8.413 8.478 8.494 8.512 8.530 8.549 8.570 8.591 8.613 8.635 8.659 8.683 8.708 8.734 8.760 8.787 8.815 8.843 8.872 8.902 8.932 8.963 10.097 9.602 9.240 8.966 8.758 8.599 8.479 8.390 8.326 8.283 8.257 8.245 8.246 8.256 8.276 8.337 8.353 8.369 8.387 8.405 8.424 8.444 8.464 8.485 8.507 8.530 8.554 8.578 8.602 8.628 8.653 8.680 8.707 8.735 8.763 8.791 99999.999 9.415 9.064 8.799 8.598 8.445 8.331 8.247 8.187 8.147 8.123 8.113 8.114 8.125 8.144 8.204 8.219 8.235 8.251 8.269 8.287 8.306 8.326 8.346 8.367 8.389 8.411 8.434 8.457 8.481 8.506 8.531 8.557 8.583 8.610 8.637 Sb2S4-2 Sb2S4(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 4 2.000 1 2.000 24 4.000 6 -6.000 2 -47.845 -43.371 -39.721 -36.721 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -47.845 -43.371 -39.721 -36.721 -34.242 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -47.846 -43.372 -39.722 -36.722 -34.243 -32.188 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-22.042 -22.070 -22.104 -22.144 -22.189 -49.341 -45.039 -41.329 -38.190 -35.536 -33.284 -31.366 -29.728 -28.326 -27.124 -26.094 -25.211 -24.458 -23.816 -23.274 -22.439 -22.307 -22.186 -22.075 -21.974 -21.883 -21.800 -21.727 -21.662 -21.606 -21.557 -21.516 -21.482 -21.456 -21.437 -21.424 -21.418 -21.418 -21.424 -21.436 -21.453 -49.715 -45.401 -41.662 -38.491 -35.803 -33.517 -31.567 -29.896 -28.460 -27.224 -26.159 -25.240 -24.450 -23.770 -23.189 -22.273 -22.124 -21.986 -21.858 -21.740 -21.631 -21.530 -21.439 -21.355 -21.279 -21.212 -21.151 -21.098 -21.052 -21.012 -20.979 -20.952 -20.931 -20.917 -20.907 -20.904 -50.104 -45.771 -42.001 -38.796 -36.074 -33.756 -31.773 -30.071 -28.605 -27.337 -26.240 -25.290 -24.467 -23.754 -23.138 -22.154 -21.991 -21.839 -21.697 -21.564 -21.440 -21.325 -21.218 -21.120 -21.029 -20.946 -20.870 -20.801 -20.739 -20.683 -20.634 -20.591 -20.554 -20.523 -20.497 -20.477 -50.506 -46.148 -42.345 -39.104 -36.349 -33.999 -31.986 -30.253 -28.758 -27.461 -26.336 -25.356 -24.503 -23.761 -23.116 -22.071 -21.896 -21.731 -21.577 -21.431 -21.295 -21.168 -21.048 -20.937 -20.834 -20.738 -20.649 -20.567 -20.492 -20.424 -20.361 -20.305 -20.255 -20.211 -20.172 -20.138 -50.920 -46.532 -42.693 -39.417 -36.628 -34.246 -32.203 -30.442 -28.918 -27.595 -26.442 -25.436 -24.557 -23.788 -23.115 -22.016 -21.831 -21.655 -21.490 -21.334 -21.187 -21.048 -20.918 -20.796 -20.682 -20.575 -20.475 -20.383 -20.297 -20.217 -20.144 -20.076 -20.015 -19.960 -19.909 -19.865 99999.999 -46.922 -43.046 -39.734 -36.912 -34.498 -32.425 -30.636 -29.086 -27.737 -26.559 -25.528 -24.624 -23.830 -23.133 -21.985 -21.790 -21.605 -21.430 -21.264 -21.108 -20.960 -20.820 -20.688 -20.565 -20.448 -20.339 -20.237 -20.141 -20.052 -19.969 -19.893 -19.822 -19.757 -19.697 -19.643 Sb2S4-2 Sb2S4(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 5 6.000 1 2.000 24 -8.000 31 -6.000 2 4.000 4 560.550 509.897 466.036 427.733 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 560.550 509.897 466.036 427.733 393.953 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 560.556 509.902 466.041 427.738 393.958 363.883 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 560.567 509.912 466.051 427.747 393.967 363.892 336.875 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 560.586 509.930 466.067 427.763 393.982 363.907 336.891 312.416 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 560.616 509.957 466.093 427.788 394.007 363.932 336.916 312.443 290.086 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 560.661 509.998 466.131 427.825 394.043 363.968 336.954 312.483 290.130 269.529 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 560.726 510.057 466.186 427.878 394.095 364.021 337.008 312.540 290.192 269.600 250.428 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 560.815 510.138 466.263 427.951 394.167 364.093 337.082 312.618 290.277 269.698 250.546 232.480 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 560.935 510.246 466.364 428.049 394.263 364.189 337.180 312.722 290.390 269.826 250.701 232.684 215.377 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 561.091 510.388 466.497 428.176 394.388 364.314 337.309 312.857 290.537 269.991 250.899 232.942 215.754 198.711 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 561.291 510.569 466.667 428.339 394.548 364.474 337.473 313.029 290.723 270.200 251.147 233.259 216.204 199.480 181.518 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 561.446 510.710 466.799 428.466 394.671 364.597 337.599 313.161 290.865 270.359 251.334 233.495 216.530 200.001 182.805 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 561.668 510.910 466.987 428.646 394.847 364.773 337.778 313.348 291.066 270.583 251.595 233.820 216.969 200.669 184.132 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 561.889 511.110 467.173 428.824 395.022 364.947 337.955 313.532 291.263 270.800 251.846 234.129 217.377 201.265 185.178 145.309 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 562.108 511.308 467.358 429.002 395.195 365.119 338.130 313.714 291.456 271.013 252.090 234.424 217.760 201.806 186.060 154.401 144.844 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 562.326 511.504 467.542 429.178 395.366 365.289 338.302 313.893 291.646 271.221 252.327 234.707 218.120 202.300 186.830 157.119 150.043 141.850 131.895 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 562.542 511.700 467.725 429.352 395.536 365.458 338.473 314.070 291.833 271.425 252.557 234.979 218.459 202.756 187.513 158.729 152.447 145.724 138.301 129.900 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 562.758 511.894 467.907 429.525 395.705 365.625 338.642 314.244 292.017 271.624 252.780 235.240 218.781 203.178 188.126 159.899 154.006 147.906 141.480 134.584 127.088 118.954 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 562.972 512.088 468.087 429.697 395.872 365.791 338.809 314.416 292.199 271.820 252.998 235.492 219.087 203.571 188.679 160.832 155.174 149.415 143.492 137.326 130.833 123.951 116.667 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 563.185 512.280 468.266 429.868 396.038 365.955 338.975 314.586 292.377 272.012 253.210 235.736 219.378 203.938 189.181 161.615 156.118 150.577 144.953 139.200 133.267 127.105 120.683 114.002 107.108 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 563.397 512.471 468.444 430.038 396.203 366.118 339.139 314.754 292.553 272.200 253.417 235.971 219.656 204.281 189.638 162.297 156.916 151.527 146.104 140.615 135.027 129.307 123.427 117.373 111.153 104.800 98.370 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 563.608 512.661 468.621 430.206 396.366 366.279 339.301 314.920 292.727 272.385 253.620 236.199 219.921 204.604 190.057 162.904 157.612 152.337 147.057 141.752 136.397 130.969 125.446 119.814 114.067 108.217 102.291 96.327 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 563.818 512.849 468.797 430.374 396.528 366.439 339.462 315.085 292.898 272.567 253.818 236.420 220.176 204.908 190.441 163.453 158.233 153.046 147.875 142.705 137.517 132.295 127.021 121.683 116.272 110.791 105.251 99.672 94.086 88.526 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 564.027 513.037 468.972 430.540 396.690 366.598 339.621 315.247 293.067 272.747 254.012 236.635 220.421 205.195 190.795 163.956 158.795 153.679 148.594 143.528 138.467 133.397 128.305 123.180 118.015 112.807 107.559 102.284 97.000 91.728 86.496 99999.999 99999.999 99999.999 99999.999 99999.999 564.235 513.224 469.146 430.705 396.850 366.756 339.779 315.408 293.234 272.923 254.202 236.845 220.656 205.468 191.123 164.422 159.311 154.253 149.238 144.256 139.293 134.341 129.387 124.423 119.442 114.440 109.418 104.380 99.338 94.306 89.303 84.349 79.464 99999.999 99999.999 99999.999 564.442 513.410 469.318 430.870 397.009 366.912 339.935 315.567 293.399 273.097 254.389 237.049 220.885 205.729 191.431 164.857 159.788 154.780 149.823 144.908 140.026 135.167 130.322 125.484 120.646 115.804 110.956 106.106 101.259 96.424 91.614 86.844 82.130 77.488 99999.999 99999.999 564.648 513.595 469.490 431.033 397.166 367.067 340.090 315.725 293.562 273.268 254.573 237.249 221.106 205.979 191.720 165.266 160.234 155.268 150.360 145.502 140.686 135.903 131.146 126.409 121.684 116.969 112.261 107.560 102.870 98.197 93.549 88.937 84.373 79.869 75.438 71.091 564.853 513.779 469.661 431.195 397.323 367.221 340.244 315.881 293.723 273.437 254.753 237.444 221.321 206.221 191.997 165.652 160.652 155.723 150.858 146.048 141.288 136.569 131.884 127.229 122.597 117.984 113.389 108.810 104.249 99.709 95.196 90.718 86.284 81.903 77.585 73.341 566.854 515.572 471.324 432.770 398.840 368.705 341.718 317.367 295.244 275.019 256.421 239.228 223.254 208.342 194.359 168.722 163.914 159.198 154.570 150.025 145.558 141.166 136.843 132.586 128.391 124.256 120.177 116.153 112.180 108.258 104.384 100.558 96.780 93.049 89.365 85.729 568.778 517.290 472.913 434.270 400.279 370.104 343.097 318.744 296.638 276.448 257.904 240.783 224.902 210.105 196.262 170.999 166.283 161.668 157.147 152.718 148.375 144.115 139.934 135.828 131.795 127.830 123.932 120.097 116.323 112.608 108.950 105.347 101.797 98.298 94.850 91.452 570.640 518.947 474.441 435.708 401.653 371.435 344.401 320.038 297.937 277.765 259.255 242.182 226.363 211.644 197.892 172.865 168.206 163.650 159.194 154.831 150.559 146.374 142.272 138.249 134.302 130.428 126.625 122.889 119.218 115.609 112.061 108.570 105.136 101.756 98.429 95.153 572.453 520.553 475.917 437.094 402.974 372.710 345.646 321.266 299.160 278.997 260.507 243.466 227.690 213.024 199.338 174.473 169.852 165.336 160.922 156.604 152.378 148.241 144.190 140.220 136.328 132.512 128.767 125.093 121.485 117.942 114.460 111.039 107.676 104.368 101.114 97.912 574.227 522.117 477.350 438.436 404.251 373.938 346.840 322.439 300.323 280.161 261.681 244.661 228.915 214.287 200.647 175.900 171.306 166.819 162.435 158.148 153.955 149.852 145.836 141.903 138.049 134.272 130.568 126.935 123.371 119.872 116.436 113.061 109.745 106.485 103.281 100.129 575.967 523.646 478.747 439.741 405.488 375.127 347.992 323.566 301.436 281.268 262.793 245.785 230.059 215.459 201.853 177.192 172.619 168.153 163.791 159.527 155.358 151.280 147.290 143.383 139.557 135.808 132.134 128.531 124.998 121.530 118.127 114.785 111.503 108.278 105.108 101.992 577.681 525.144 480.111 441.012 406.692 376.280 349.108 324.655 302.507 282.330 263.852 246.850 231.137 216.556 202.975 178.380 173.822 169.372 165.027 160.780 156.630 152.571 148.600 144.713 140.907 137.180 133.528 129.947 126.437 122.993 119.613 116.296 113.038 109.839 106.695 103.604 99999.999 526.617 481.448 442.255 407.867 377.403 350.192 325.710 303.541 283.352 264.869 247.867 232.161 217.593 204.030 179.484 174.938 170.500 166.167 161.934 157.797 153.753 149.796 145.925 142.136 138.424 134.789 131.225 127.732 124.306 120.945 117.646 114.407 111.226 108.102 105.031 HSb2S4- HSb2S4(-) P-T:All Charge =-1. Radius(Å) = 2.00 Alk. = 0.000 Ref: Shock07 4 3.000 1 2.000 24 4.000 6 -6.000 2 -58.110 -52.871 -48.667 -45.258 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -58.110 -52.871 -48.667 -45.258 -42.477 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -58.111 -52.872 -48.668 -45.258 -42.477 -40.207 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -58.111 -52.873 -48.669 -45.259 -42.478 -40.208 -38.362 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -58.113 -52.875 -48.671 -45.261 -42.480 -40.209 -38.362 -36.877 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -58.115 -52.879 -48.675 -45.264 -42.482 -40.210 -38.363 -36.876 -35.707 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -58.118 -52.884 -48.680 -45.269 -42.486 -40.213 -38.363 -36.875 -35.703 -34.821 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -58.122 -52.891 -48.688 -45.276 -42.491 -40.216 -38.365 -36.874 -35.698 -34.811 -34.206 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -58.128 -52.901 -48.698 -45.285 -42.499 -40.221 -38.367 -36.872 -35.691 -34.797 -34.183 -33.867 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -58.137 -52.914 -48.712 -45.297 -42.508 -40.228 -38.369 -36.870 -35.683 -34.780 -34.153 -33.815 -33.817 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -58.148 -52.932 -48.730 -45.314 -42.522 -40.237 -38.373 -36.867 -35.672 -34.758 -34.115 -33.751 -33.708 -34.107 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -58.163 -52.955 -48.753 -45.335 -42.538 -40.248 -38.378 -36.864 -35.659 -34.732 -34.069 -33.673 -33.577 -33.872 -34.942 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -58.175 -52.973 -48.772 -45.351 -42.552 -40.257 -38.382 -36.862 -35.649 -34.712 -34.035 -33.617 -33.483 -33.710 -34.593 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -58.193 -52.999 -48.798 -45.374 -42.571 -40.271 -38.389 -36.860 -35.637 -34.686 -33.989 -33.541 -33.359 -33.500 -34.187 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -58.211 -53.026 -48.824 -45.398 -42.590 -40.284 -38.395 -36.859 -35.625 -34.662 -33.946 -33.471 -33.246 -33.312 -33.844 -35.851 99999.999 99999.999 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Radius(Å) = 2.00 Alk. = 0.000 Ref: Shock07 5 7.000 1 2.000 24 -8.000 31 -6.000 2 4.000 4 550.285 500.396 457.090 419.197 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 550.285 500.396 457.090 419.197 385.718 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 550.291 500.402 457.095 419.202 385.723 355.864 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 550.680 500.755 457.428 419.523 386.040 356.183 329.323 304.953 282.656 262.075 242.878 224.727 207.195 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 550.840 500.901 457.564 419.654 386.169 356.314 329.458 305.095 282.812 262.253 243.093 225.009 207.612 190.225 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 551.045 501.087 457.740 419.823 386.335 356.481 329.630 305.277 283.010 262.477 243.362 225.356 208.110 191.081 172.529 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 551.204 501.231 457.875 419.954 386.463 356.610 329.762 305.416 283.161 262.647 243.565 225.614 208.470 191.661 173.965 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 551.432 501.437 458.069 420.140 386.646 356.793 329.950 305.614 283.375 262.887 243.847 225.969 208.954 192.403 175.446 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 551.658 501.642 458.261 420.324 386.827 356.974 330.135 305.808 283.584 263.120 244.119 226.306 209.403 193.065 176.614 134.849 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 551.882 501.845 458.451 420.507 387.006 357.153 330.318 306.000 283.790 263.348 244.382 226.628 209.824 193.664 177.600 145.022 134.841 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 552.105 502.047 458.641 420.689 387.184 357.330 330.499 306.189 283.991 263.570 244.637 226.936 210.219 194.211 178.458 148.049 140.649 131.980 121.307 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 552.327 502.248 458.828 420.869 387.360 357.506 330.678 306.375 284.190 263.788 244.885 227.231 210.591 194.715 179.218 149.840 143.326 136.306 128.485 119.547 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 552.548 502.447 459.015 421.047 387.535 357.680 330.855 306.558 284.385 264.001 245.125 227.515 210.944 195.181 179.900 151.139 145.061 138.737 132.035 124.790 116.855 108.182 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 552.767 502.645 459.200 421.225 387.708 357.852 331.030 306.739 284.576 264.209 245.359 227.788 211.278 195.614 180.514 152.173 146.358 140.416 134.276 127.850 121.045 113.787 106.059 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 552.985 502.842 459.385 421.401 387.880 358.023 331.203 306.918 284.765 264.414 245.587 228.051 211.595 196.017 181.071 153.042 147.405 141.707 135.902 129.940 123.762 117.314 110.560 103.501 96.185 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 553.202 503.038 459.568 421.576 388.050 358.192 331.374 307.095 284.951 264.614 245.810 228.306 211.898 196.394 181.577 153.797 148.291 142.762 137.181 131.514 125.724 119.772 113.628 107.276 100.724 94.008 87.193 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 553.418 503.233 459.749 421.750 388.219 358.360 331.543 307.269 285.135 264.811 246.027 228.552 212.187 196.748 182.039 154.468 149.062 143.660 138.240 132.778 127.248 121.624 115.881 110.004 103.986 97.840 91.594 85.295 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 553.633 503.427 459.930 421.922 388.387 358.526 331.711 307.442 285.316 265.005 246.239 228.791 212.463 197.080 182.462 155.074 149.749 144.446 139.148 133.837 128.494 123.100 117.637 112.090 106.450 100.719 94.911 89.048 83.165 77.300 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 553.846 503.619 460.110 422.093 388.554 358.691 331.877 307.612 285.494 265.196 246.447 229.022 212.729 197.394 182.852 155.630 150.370 145.147 139.945 134.751 129.549 124.326 119.066 113.759 108.395 102.971 97.493 91.973 86.431 80.894 75.390 99999.999 99999.999 99999.999 99999.999 99999.999 554.059 503.810 460.288 422.264 388.719 358.854 332.042 307.781 285.670 265.383 246.650 229.248 212.984 197.692 183.212 156.144 150.940 145.782 140.658 135.557 130.466 125.375 120.270 115.143 109.986 104.794 99.569 94.317 89.049 83.782 78.539 73.340 68.210 99999.999 99999.999 99999.999 554.270 504.001 460.466 422.433 388.883 359.017 332.205 307.948 285.844 265.567 246.850 229.467 213.231 197.975 183.548 156.624 151.467 146.364 141.305 136.280 131.279 126.292 121.309 116.323 111.326 106.314 101.285 96.244 91.196 86.152 81.126 76.137 71.201 66.336 99999.999 99999.999 554.481 504.190 460.642 422.601 389.046 359.178 332.366 308.113 286.016 265.749 247.045 229.682 213.470 198.247 183.865 157.074 151.958 146.903 141.899 136.938 132.011 127.109 122.225 117.351 112.481 107.611 102.739 97.866 92.995 88.133 83.290 78.479 73.712 69.005 64.372 59.825 554.690 504.379 460.818 422.768 389.208 359.337 332.527 308.276 286.186 265.928 247.238 229.892 213.703 198.509 184.166 157.499 152.419 147.405 142.449 137.542 132.677 127.847 123.044 118.262 113.496 108.741 103.996 99.259 94.532 89.820 85.130 80.470 75.850 71.282 66.778 62.348 556.732 506.213 462.523 424.388 390.774 360.875 334.060 309.830 287.785 267.601 249.012 231.800 215.781 200.804 186.733 160.864 155.999 151.225 146.535 141.925 137.390 132.925 128.527 124.192 119.916 115.697 111.531 107.415 103.349 99.330 95.357 91.430 87.547 83.710 79.918 76.173 558.691 507.969 464.151 425.928 392.256 362.321 335.491 311.266 289.245 269.105 250.581 233.455 217.545 202.699 188.789 163.343 158.584 153.922 149.354 144.874 140.478 136.163 131.925 127.760 123.665 119.638 115.674 111.772 107.929 104.142 100.411 96.733 93.107 89.531 86.004 82.525 560.585 509.659 465.713 427.403 393.669 363.695 336.842 312.611 290.601 270.487 252.005 234.937 219.100 204.344 190.540 165.365 160.670 156.076 151.580 147.176 142.861 138.630 134.481 130.410 126.413 122.488 118.631 114.840 111.113 107.446 103.839 100.288 96.792 93.349 89.958 86.616 562.426 511.296 467.222 428.823 395.027 365.008 338.129 313.885 291.875 271.775 253.321 236.292 220.507 205.815 192.086 167.098 162.447 157.899 153.451 149.098 144.835 140.660 136.569 132.558 128.623 124.763 120.973 117.252 113.596 110.004 106.472 102.999 99.583 96.222 92.913 89.656 564.224 512.887 468.685 430.197 396.336 366.272 339.361 315.100 293.084 272.989 254.551 237.549 221.801 207.155 193.482 168.631 164.011 159.496 155.082 150.765 146.540 142.404 138.353 134.384 130.493 126.677 122.934 119.260 115.653 112.111 108.631 105.211 101.849 98.542 95.289 92.088 565.989 514.442 470.109 431.531 397.605 367.493 340.549 316.265 294.239 274.143 255.713 238.728 223.006 208.394 194.762 170.013 165.417 160.928 156.539 152.249 148.052 143.944 139.923 135.984 132.125 128.342 124.632 120.993 117.422 113.916 110.473 107.090 103.766 100.499 97.286 94.125 567.724 515.966 471.499 432.829 398.838 368.677 341.698 317.389 295.348 275.246 256.818 239.843 224.139 209.552 195.951 171.280 166.702 162.231 157.863 153.593 149.417 145.331 141.332 137.417 133.581 129.823 126.138 122.525 118.980 115.501 112.085 108.731 105.436 102.197 99.013 95.883 99999.999 517.462 472.861 434.097 400.039 369.829 342.812 318.477 296.418 276.306 257.876 240.906 225.213 210.643 197.064 172.454 167.890 163.434 159.080 154.826 150.666 146.597 142.616 138.718 134.901 131.162 127.497 123.903 120.378 116.920 113.526 110.192 106.919 103.702 100.541 97.432 H2Sb2S4,aq H2Sb2S4(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 4.000 1 -6.000 2 2.000 24 4.000 6 -63.299 -57.933 -53.677 -50.263 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -63.299 -57.933 -53.677 -50.263 -47.511 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -63.299 -57.933 -53.678 -50.263 -47.511 -45.294 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -63.299 -57.933 -53.678 -50.264 -47.511 -45.293 -43.521 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -63.299 -57.934 -53.679 -50.264 -47.511 -45.293 -43.520 -42.127 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -63.299 -57.935 -53.680 -50.265 -47.511 -45.293 -43.519 -42.124 -41.062 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -63.298 -57.936 -53.682 -50.267 -47.512 -45.292 -43.516 -42.119 -41.055 -40.298 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -63.297 -57.939 -53.684 -50.269 -47.513 -45.291 -43.513 -42.113 -41.045 -40.283 -39.826 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -63.296 -57.942 -53.688 -50.271 -47.514 -45.290 -43.509 -42.105 -41.031 -40.262 -39.793 -39.652 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -63.295 -57.946 -53.693 -50.275 -47.515 -45.288 -43.503 -42.094 -41.013 -40.234 -39.751 -39.585 -39.805 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -63.294 -57.952 -53.700 -50.280 -47.517 -45.286 -43.496 -42.080 -40.991 -40.200 -39.698 -39.502 -39.666 -40.354 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -63.293 -57.959 -53.708 -50.287 -47.520 -45.284 -43.487 -42.063 -40.963 -40.157 -39.633 -39.400 -39.502 -40.059 -41.584 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -63.293 -57.965 -53.715 -50.292 -47.523 -45.283 -43.481 -42.050 -40.942 -40.125 -39.584 -39.326 -39.384 -39.856 -41.122 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -63.293 -57.975 -53.725 -50.300 -47.527 -45.281 -43.472 -42.032 -40.913 -40.081 -39.519 -39.226 -39.227 -39.596 -40.607 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -63.294 -57.984 -53.735 -50.308 -47.531 -45.279 -43.464 -42.016 -40.886 -40.039 -39.457 -39.133 -39.083 -39.364 -40.184 -44.038 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -63.296 -57.994 -53.746 -50.316 -47.535 -45.279 -43.456 -42.000 -40.860 -40.000 -39.398 -39.046 -38.951 -39.155 -39.821 -41.465 -42.935 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -63.298 -58.004 -53.756 -50.324 -47.539 -45.278 -43.449 -41.985 -40.835 -39.962 -39.342 -38.964 -38.829 -38.967 -39.502 -40.667 -41.425 -42.571 -44.395 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -63.301 -58.014 -53.767 -50.333 -47.544 -45.278 -43.442 -41.970 -40.811 -39.926 -39.290 -38.887 -38.716 -38.795 -39.220 -40.164 -40.697 -41.405 -42.382 -43.756 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -63.304 -58.024 -53.778 -50.342 -47.549 -45.278 -43.436 -41.957 -40.788 -39.892 -39.240 -38.816 -38.612 -38.640 -38.970 -39.784 -40.202 -40.727 -41.397 -42.265 -43.396 -44.837 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -63.308 -58.035 -53.789 -50.351 -47.554 -45.278 -43.431 -41.944 -40.766 -39.859 -39.193 -38.748 -38.515 -38.498 -38.747 -39.473 -39.819 -40.241 -40.757 -41.394 -42.183 -43.159 -44.344 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -63.313 -58.047 -53.801 -50.360 -47.560 -45.279 -43.425 -41.932 -40.746 -39.828 -39.148 -38.685 -38.425 -38.369 -38.549 -39.207 -39.502 -39.856 -40.280 -40.786 -41.394 -42.122 -42.987 -44.000 -45.153 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -63.318 -58.058 -53.812 -50.369 -47.565 -45.280 -43.421 -41.920 -40.726 -39.798 -39.105 -38.625 -38.342 -38.252 -38.374 -38.974 -39.230 -39.535 -39.895 -40.318 -40.814 -41.394 -42.071 -42.852 -43.741 -44.729 -45.801 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -63.324 -58.070 -53.824 -50.379 -47.571 -45.281 -43.416 -41.909 -40.707 -39.769 -39.065 -38.569 -38.265 -38.144 -38.217 -38.765 -38.991 -39.258 -39.570 -39.934 -40.354 -40.839 -41.394 -42.027 -42.741 -43.535 -44.401 -45.326 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -63.331 -58.082 -53.836 -50.388 -47.577 -45.282 -43.413 -41.899 -40.689 -39.742 -39.026 -38.515 -38.193 -38.046 -38.079 -38.575 -38.776 -39.012 -39.288 -39.607 -39.972 -40.389 -40.861 -41.393 -41.987 -42.645 -43.363 -44.133 -44.946 -45.788 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -63.338 -58.094 -53.848 -50.398 -47.584 -45.284 -43.409 -41.889 -40.671 -39.715 -38.989 -38.465 -38.125 -37.956 -37.955 -38.400 -38.580 -38.792 -39.038 -39.321 -39.644 -40.009 -40.420 -40.880 -41.389 -41.950 -42.559 -43.214 -43.909 -44.633 -45.376 99999.999 99999.999 99999.999 99999.999 99999.999 -63.345 -58.107 -53.860 -50.408 -47.590 -45.286 -43.406 -41.880 -40.655 -39.690 -38.953 -38.417 -38.062 -37.874 -37.845 -38.239 -38.401 -38.591 -38.813 -39.067 -39.356 -39.681 -40.045 -40.449 -40.895 -41.383 -41.913 -42.481 -43.083 -43.714 -44.367 -45.031 -45.699 99999.999 99999.999 99999.999 -63.353 -58.119 -53.873 -50.418 -47.597 -45.289 -43.403 -41.871 -40.639 -39.666 -38.919 -38.372 -38.003 -37.797 -37.745 -38.089 -38.234 -38.407 -38.607 -38.837 -39.098 -39.391 -39.717 -40.078 -40.475 -40.908 -41.375 -41.876 -42.407 -42.965 -43.543 -44.136 -44.736 -45.335 99999.999 99999.999 -63.362 -58.133 -53.885 -50.428 -47.603 -45.291 -43.400 -41.862 -40.624 -39.643 -38.886 -38.328 -37.946 -37.725 -37.654 -37.949 -38.080 -38.236 -38.418 -38.627 -38.864 -39.130 -39.426 -39.752 -40.109 -40.498 -40.916 -41.364 -41.839 -42.338 -42.856 -43.390 -43.932 -44.478 -45.022 -45.557 -63.371 -58.146 -53.898 -50.439 -47.610 -45.294 -43.398 -41.854 -40.609 -39.620 -38.855 -38.286 -37.893 -37.657 -37.569 -37.816 -37.935 -38.076 -38.243 -38.434 -38.650 -38.893 -39.163 -39.460 -39.785 -40.137 -40.517 -40.922 -41.351 -41.802 -42.272 -42.756 -43.251 -43.751 -44.252 -44.748 -63.487 -58.293 -54.035 -50.551 -47.690 -45.334 -43.393 -41.797 -40.492 -39.436 -38.594 -37.939 -37.448 -37.101 -36.884 -36.798 -36.833 -36.884 -36.952 -37.035 -37.134 -37.249 -37.380 -37.525 -37.686 -37.861 -38.050 -38.253 -38.469 -38.697 -38.937 -39.188 -39.448 -39.718 -39.995 -40.279 -63.646 -58.462 -54.189 -50.678 -47.784 -45.392 -43.411 -41.772 -40.418 -39.308 -38.406 -37.685 -37.121 -36.695 -36.391 -36.100 -36.087 -36.088 -36.103 -36.132 -36.173 -36.227 -36.294 -36.372 -36.462 -36.564 -36.676 -36.799 -36.933 -37.076 -37.229 -37.391 -37.561 -37.740 -37.927 -38.120 -63.838 -58.652 -54.356 -50.817 -47.892 -45.466 -43.449 -41.771 -40.376 -39.220 -38.269 -37.494 -36.873 -36.385 -36.015 -35.575 -35.529 -35.497 -35.477 -35.469 -35.473 -35.488 -35.515 -35.551 -35.598 -35.655 -35.722 -35.798 -35.884 -35.978 -36.080 -36.191 -36.309 -36.435 -36.569 -36.709 -64.058 -58.858 -54.537 -50.968 -48.011 -45.553 -43.503 -41.790 -40.358 -39.163 -38.169 -37.350 -36.681 -36.142 -35.719 -35.163 -35.092 -35.035 -34.988 -34.954 -34.930 -34.917 -34.914 -34.922 -34.938 -34.964 -34.999 -35.043 -35.095 -35.156 -35.224 -35.300 -35.383 -35.473 -35.570 -35.674 -64.300 -59.079 -54.729 -51.129 -48.141 -45.652 -43.570 -41.825 -40.359 -39.130 -38.100 -37.242 -36.531 -35.950 -35.482 -34.831 -34.740 -34.662 -34.595 -34.539 -34.494 -34.459 -34.434 -34.419 -34.412 -34.415 -34.426 -34.445 -34.473 -34.508 -34.551 -34.601 -34.658 -34.722 -34.793 -34.870 -64.561 -59.313 -54.931 -51.300 -48.281 -45.761 -43.650 -41.874 -40.378 -39.117 -38.054 -37.162 -36.416 -35.798 -35.291 -34.559 -34.452 -34.357 -34.273 -34.200 -34.137 -34.084 -34.041 -34.007 -33.982 -33.966 -33.958 -33.958 -33.966 -33.982 -34.004 -34.034 -34.071 -34.115 -34.165 -34.221 -64.839 -59.557 -55.143 -51.480 -48.430 -45.880 -43.739 -41.935 -40.411 -39.120 -38.028 -37.106 -36.328 -35.677 -35.137 -34.335 -34.214 -34.104 -34.005 -33.917 -33.840 -33.772 -33.714 -33.665 -33.624 -33.593 -33.569 -33.553 -33.546 -33.545 -33.552 -33.566 -33.586 -33.613 -33.647 -33.687 99999.999 -59.811 -55.364 -51.668 -48.587 -46.008 -43.839 -42.007 -40.456 -39.139 -38.019 -37.069 -36.263 -35.583 -35.012 -34.149 -34.015 -33.893 -33.782 -33.681 -33.591 -33.510 -33.439 -33.377 -33.324 -33.279 -33.242 -33.213 -33.192 -33.178 -33.171 -33.172 -33.179 -33.193 -33.213 -33.239 H2Sb2S4,aq H2Sb2S4(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 5 8.000 1 -6.000 2 -8.000 31 2.000 24 4.000 4 545.095 495.335 452.080 414.191 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 545.096 495.335 452.080 414.191 380.684 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 545.102 495.341 452.085 414.197 380.690 350.777 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 545.114 495.352 452.096 414.207 380.700 350.788 323.843 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 545.135 495.371 452.114 414.224 380.717 350.805 323.861 299.380 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 545.169 495.402 452.143 414.252 380.744 350.833 323.890 299.410 276.976 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 545.219 495.448 452.186 414.294 380.786 350.874 323.933 299.456 277.026 256.278 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 545.291 495.513 452.248 414.353 380.844 350.933 323.994 299.521 277.098 256.360 236.962 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 545.389 495.603 452.333 414.435 380.925 351.015 324.078 299.610 277.195 256.472 237.100 218.717 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 545.521 495.724 452.446 414.545 381.033 351.123 324.190 299.729 277.325 256.620 237.280 218.956 201.208 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 545.694 495.881 452.595 414.688 381.173 351.264 324.335 299.882 277.493 256.811 237.510 219.258 201.654 183.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 545.915 496.083 452.785 414.871 381.353 351.445 324.521 300.078 277.706 257.052 237.798 219.630 202.185 184.895 165.887 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 546.086 496.239 452.932 415.012 381.492 351.584 324.664 300.229 277.869 257.235 238.015 219.905 202.570 185.514 167.436 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 546.331 496.462 453.142 415.214 381.690 351.783 324.867 300.442 278.098 257.492 238.317 220.284 203.086 186.307 169.026 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 546.574 496.684 453.350 415.414 381.886 351.979 325.067 300.651 278.324 257.743 238.609 220.645 203.566 187.013 170.275 126.662 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 546.816 496.904 453.556 415.613 382.081 352.173 325.265 300.858 278.545 257.987 238.891 220.989 204.015 187.652 171.326 137.812 127.072 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 547.056 497.122 453.762 415.809 382.273 352.365 325.461 301.062 278.762 258.226 239.164 221.318 204.436 188.235 172.241 141.116 133.424 124.337 113.065 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 547.294 497.339 453.965 416.005 382.464 352.555 325.654 301.262 278.976 258.460 239.430 221.634 204.834 188.772 173.051 143.062 136.343 129.060 120.893 111.506 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 547.532 497.555 454.167 416.199 382.653 352.743 325.845 301.460 279.186 258.688 239.687 221.937 205.210 189.269 173.776 144.470 138.227 131.705 124.761 117.218 108.918 99.816 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 547.767 497.769 454.368 416.391 382.841 352.930 326.034 301.656 279.392 258.912 239.938 222.229 205.567 189.731 174.431 145.588 139.632 133.528 127.198 120.549 113.478 105.908 97.827 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 548.002 497.982 454.568 416.582 383.027 353.115 326.221 301.849 279.596 259.132 240.183 222.511 205.906 190.161 175.024 146.526 140.764 134.925 128.962 122.818 116.431 109.743 102.716 95.353 87.710 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 548.235 498.194 454.766 416.771 383.212 353.298 326.406 302.039 279.796 259.348 240.421 222.784 206.230 190.564 175.563 147.339 141.719 136.066 130.346 124.524 118.560 112.412 106.048 99.451 92.632 85.632 78.520 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 548.467 498.404 454.963 416.960 383.395 353.479 326.589 302.227 279.994 259.560 240.654 223.047 206.539 190.941 176.056 148.061 142.550 137.035 131.491 125.892 120.211 114.420 108.492 102.411 96.171 89.786 83.289 76.729 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 548.697 498.613 455.159 417.147 383.577 353.659 326.770 302.414 280.188 259.768 240.882 223.303 206.834 191.296 176.507 148.713 143.290 137.881 132.470 127.036 121.559 116.018 110.394 104.672 98.843 92.909 86.884 80.795 74.679 68.579 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 548.927 498.821 455.353 417.332 383.757 353.838 326.950 302.598 280.381 259.973 241.105 223.551 207.118 191.632 176.923 149.310 143.958 138.636 133.329 128.021 122.698 117.343 111.941 106.479 100.949 95.349 89.682 83.964 78.217 72.470 66.754 99999.999 99999.999 99999.999 99999.999 99999.999 549.155 499.028 455.547 417.517 383.937 354.015 327.128 302.780 280.570 260.174 241.323 223.793 207.392 191.950 177.308 149.862 144.570 139.319 134.096 128.890 123.687 118.475 113.241 107.976 102.671 97.322 91.930 86.503 81.052 75.598 70.163 64.771 59.448 99999.999 99999.999 99999.999 549.382 499.234 455.739 417.700 384.115 354.190 327.304 302.960 280.758 260.373 241.537 224.028 207.656 192.254 177.668 150.377 145.136 139.944 134.792 129.668 124.563 119.464 114.363 109.251 104.120 98.966 93.788 88.589 83.377 78.163 72.965 67.799 62.686 57.645 99999.999 99999.999 549.608 499.438 455.930 417.882 384.291 354.365 327.479 303.138 280.943 260.568 241.747 224.258 207.912 192.545 178.006 150.859 145.663 140.523 135.430 130.376 125.350 120.344 115.350 110.360 105.367 100.368 95.359 90.343 85.323 80.308 75.307 70.334 65.405 60.535 55.739 51.032 549.832 499.642 456.120 418.064 384.467 354.537 327.652 303.314 281.125 260.761 241.954 224.483 208.161 192.826 178.329 151.315 146.157 141.062 136.020 131.025 126.067 121.138 116.232 111.342 106.462 101.587 96.716 91.848 86.985 82.132 77.297 72.489 67.719 63.000 58.344 53.763 552.021 501.621 457.965 419.818 386.162 356.202 329.310 304.992 282.850 262.561 243.860 226.530 210.389 195.282 181.076 154.917 149.991 145.153 140.399 135.723 131.120 126.587 122.119 117.711 113.362 109.067 104.823 100.629 96.482 92.380 88.324 84.311 80.342 76.416 72.536 68.700 554.119 503.514 459.725 421.485 387.767 357.767 330.857 306.543 284.424 264.181 245.547 228.307 212.279 197.312 183.276 157.568 152.754 148.037 143.413 138.876 134.424 130.051 125.753 121.529 117.374 113.285 109.259 105.294 101.387 97.537 93.741 89.998 86.305 82.662 79.067 75.520 556.144 505.335 461.413 423.081 389.297 359.253 332.318 307.996 285.887 265.670 247.080 229.899 213.948 199.075 185.151 159.729 154.984 150.339 145.792 141.336 136.969 132.686 128.484 124.360 120.309 116.330 112.419 108.573 104.790 101.068 97.405 93.797 90.245 86.745 83.296 79.897 558.110 507.096 463.043 424.617 390.766 360.674 333.710 309.372 287.263 267.059 248.496 231.357 215.459 200.652 186.808 161.583 156.884 152.288 147.792 143.390 139.079 134.855 130.714 126.653 122.669 118.759 114.919 111.147 107.441 103.798 100.216 96.692 93.224 89.811 86.451 83.142 560.030 508.809 464.623 426.103 392.183 362.042 335.043 310.685 288.568 268.368 249.821 232.709 216.850 202.091 188.304 163.223 158.557 153.996 149.536 145.172 140.901 136.718 132.620 128.603 124.665 120.802 117.012 113.291 109.637 106.047 102.519 99.051 95.641 92.286 88.986 85.737 561.912 510.481 466.160 427.545 393.556 363.364 336.328 311.946 289.816 269.613 251.074 233.979 218.146 203.422 189.678 164.704 160.063 155.528 151.095 146.759 142.516 138.364 134.297 130.313 126.409 122.580 118.825 115.141 111.524 107.972 104.484 101.056 97.686 94.373 91.115 87.908 563.761 512.119 467.661 428.950 394.890 364.646 337.571 313.162 291.014 270.804 252.266 235.181 219.366 204.666 190.954 166.061 161.439 156.924 152.511 148.197 143.977 139.847 135.804 131.844 127.965 124.162 120.434 116.777 113.188 109.665 106.205 102.807 99.467 96.185 92.957 89.782 99999.999 513.728 469.130 430.321 396.191 365.893 338.778 314.339 292.171 271.950 253.408 236.326 220.522 205.840 192.151 167.320 162.712 158.212 153.815 149.517 145.314 141.202 137.178 133.237 129.377 125.594 121.886 118.249 114.681 111.180 107.743 104.367 101.050 97.791 94.586 91.435 SnO,aq SnO(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 2.000 Ref: Shock07 3 -2.000 1 1.000 42 1.000 2 7.801 7.079 6.519 6.077 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.801 7.079 6.519 6.077 5.723 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.801 7.079 6.519 6.077 5.723 5.436 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.801 7.080 6.520 6.078 5.724 5.436 5.199 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.801 7.080 6.520 6.078 5.724 5.437 5.200 5.001 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.802 7.080 6.521 6.079 5.725 5.438 5.201 5.002 4.832 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.802 7.081 6.522 6.080 5.726 5.439 5.202 5.004 4.833 4.683 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.803 7.083 6.523 6.081 5.727 5.440 5.204 5.006 4.836 4.686 4.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.805 7.084 6.525 6.083 5.729 5.443 5.206 5.009 4.839 4.690 4.551 4.413 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.807 7.086 6.527 6.086 5.732 5.446 5.210 5.012 4.844 4.696 4.558 4.423 4.282 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.809 7.089 6.530 6.089 5.736 5.449 5.214 5.017 4.850 4.703 4.568 4.436 4.299 4.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.812 7.093 6.534 6.093 5.740 5.454 5.219 5.023 4.857 4.711 4.579 4.451 4.321 4.180 4.044 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.814 7.096 6.537 6.096 5.743 5.458 5.223 5.028 4.862 4.718 4.587 4.463 4.337 4.201 4.038 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.816 7.099 6.541 6.100 5.748 5.463 5.229 5.035 4.870 4.727 4.599 4.479 4.359 4.232 4.066 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.819 7.103 6.545 6.105 5.753 5.468 5.235 5.041 4.877 4.736 4.610 4.494 4.381 4.262 4.107 5.408 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.822 7.106 6.549 6.109 5.757 5.473 5.240 5.047 4.884 4.744 4.621 4.508 4.401 4.291 4.150 4.671 5.010 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.824 7.109 6.553 6.113 5.761 5.477 5.245 5.053 4.891 4.753 4.631 4.522 4.419 4.318 4.193 4.495 4.631 4.848 5.126 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.826 7.113 6.556 6.116 5.765 5.482 5.250 5.058 4.898 4.760 4.641 4.535 4.437 4.343 4.232 4.422 4.492 4.601 4.757 4.946 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.828 7.116 6.559 6.120 5.769 5.486 5.255 5.064 4.904 4.768 4.650 4.547 4.453 4.366 4.269 4.387 4.427 4.489 4.579 4.697 4.835 4.969 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.830 7.118 6.563 6.124 5.773 5.490 5.259 5.069 4.910 4.775 4.659 4.558 4.468 4.386 4.301 4.369 4.393 4.431 4.486 4.561 4.654 4.761 4.866 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.832 7.121 6.566 6.127 5.777 5.494 5.264 5.074 4.916 4.782 4.668 4.568 4.482 4.405 4.330 4.360 4.375 4.399 4.434 4.483 4.547 4.623 4.708 4.794 4.871 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.834 7.124 6.569 6.130 5.780 5.498 5.268 5.079 4.922 4.789 4.676 4.578 4.495 4.422 4.355 4.357 4.366 4.381 4.404 4.437 4.481 4.535 4.599 4.669 4.741 4.810 4.870 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.835 7.126 6.572 6.134 5.784 5.502 5.272 5.084 4.927 4.795 4.683 4.588 4.506 4.437 4.377 4.358 4.362 4.372 4.387 4.410 4.440 4.480 4.527 4.581 4.641 4.703 4.764 4.821 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.837 7.129 6.575 6.137 5.787 5.505 5.276 5.089 4.933 4.802 4.691 4.597 4.517 4.451 4.395 4.362 4.363 4.368 4.378 4.394 4.415 4.444 4.479 4.521 4.568 4.620 4.675 4.730 4.784 4.836 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.838 7.131 6.577 6.140 5.790 5.509 5.280 5.093 4.938 4.808 4.698 4.605 4.527 4.463 4.410 4.367 4.365 4.368 4.374 4.385 4.400 4.421 4.447 4.479 4.517 4.559 4.605 4.654 4.705 4.756 4.808 99999.999 99999.999 99999.999 99999.999 99999.999 7.839 7.133 6.580 6.142 5.793 5.512 5.284 5.097 4.943 4.814 4.705 4.613 4.536 4.473 4.423 4.373 4.370 4.370 4.373 4.380 4.392 4.407 4.427 4.451 4.481 4.515 4.553 4.595 4.640 4.687 4.736 4.786 4.838 99999.999 99999.999 99999.999 7.841 7.135 6.582 6.145 5.796 5.516 5.288 5.102 4.948 4.819 4.711 4.621 4.545 4.483 4.434 4.380 4.376 4.374 4.375 4.380 4.388 4.399 4.414 4.433 4.456 4.484 4.515 4.550 4.589 4.630 4.674 4.721 4.770 4.822 99999.999 99999.999 7.842 7.137 6.585 6.148 5.799 5.519 5.292 5.106 4.952 4.825 4.718 4.628 4.553 4.492 4.444 4.387 4.382 4.379 4.379 4.382 4.387 4.395 4.407 4.421 4.440 4.462 4.487 4.517 4.549 4.585 4.624 4.666 4.711 4.759 4.809 4.863 7.843 7.139 6.587 6.151 5.802 5.522 5.295 5.110 4.957 4.830 4.724 4.635 4.561 4.501 4.453 4.395 4.389 4.386 4.384 4.385 4.389 4.395 4.403 4.415 4.429 4.447 4.468 4.492 4.520 4.551 4.584 4.621 4.661 4.704 4.750 4.800 7.847 7.154 6.606 6.172 5.826 5.548 5.325 5.144 4.996 4.875 4.776 4.694 4.628 4.574 4.532 4.477 4.471 4.465 4.460 4.457 4.455 4.454 4.453 4.454 4.456 4.459 4.463 4.467 4.473 4.480 4.489 4.498 4.509 4.521 4.534 4.549 7.843 7.161 6.618 6.187 5.843 5.568 5.347 5.169 5.025 4.909 4.816 4.740 4.680 4.632 4.596 4.551 4.546 4.541 4.538 4.536 4.534 4.534 4.534 4.534 4.536 4.538 4.540 4.543 4.547 4.551 4.555 4.560 4.566 4.571 4.577 4.584 7.834 7.163 6.625 6.197 5.855 5.582 5.363 5.188 5.048 4.936 4.847 4.776 4.721 4.679 4.648 4.613 4.609 4.607 4.605 4.605 4.605 4.606 4.608 4.610 4.613 4.616 4.620 4.624 4.628 4.633 4.638 4.644 4.649 4.655 4.661 4.667 7.820 7.161 6.628 6.203 5.863 5.592 5.376 5.203 5.065 4.956 4.871 4.804 4.754 4.716 4.690 4.664 4.662 4.662 4.662 4.663 4.665 4.668 4.671 4.675 4.680 4.685 4.690 4.696 4.702 4.709 4.715 4.722 4.729 4.736 4.744 4.751 7.803 7.156 6.628 6.206 5.868 5.599 5.384 5.213 5.078 4.972 4.889 4.827 4.780 4.746 4.724 4.706 4.706 4.708 4.709 4.712 4.716 4.720 4.725 4.731 4.737 4.744 4.751 4.759 4.766 4.774 4.783 4.791 4.800 4.809 4.818 4.827 7.782 7.148 6.625 6.206 5.871 5.603 5.390 5.221 5.088 4.984 4.904 4.844 4.801 4.771 4.752 4.742 4.743 4.746 4.749 4.754 4.759 4.765 4.771 4.778 4.786 4.794 4.803 4.812 4.821 4.831 4.841 4.851 4.861 4.872 4.882 4.893 7.760 7.138 6.620 6.204 5.871 5.606 5.394 5.227 5.095 4.993 4.916 4.858 4.818 4.791 4.775 4.772 4.775 4.778 4.783 4.789 4.795 4.803 4.810 4.819 4.828 4.837 4.847 4.858 4.869 4.880 4.891 4.903 4.914 4.926 4.938 4.950 99999.999 7.126 6.613 6.200 5.870 5.606 5.396 5.230 5.101 5.000 4.925 4.870 4.831 4.807 4.794 4.797 4.801 4.806 4.812 4.819 4.826 4.835 4.844 4.853 4.864 4.874 4.885 4.897 4.909 4.921 4.934 4.947 4.960 4.973 4.986 4.999 SnOH+ SnOH(+1) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 1.000 Ref: Shock07 3 -1.000 1 1.000 42 1.000 2 3.869 3.414 3.051 2.758 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.869 3.414 3.051 2.758 2.520 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.869 3.414 3.051 2.758 2.520 2.322 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.870 3.415 3.051 2.759 2.520 2.322 2.156 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.870 3.415 3.052 2.759 2.520 2.323 2.156 2.014 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.870 3.416 3.053 2.760 2.521 2.323 2.157 2.015 1.890 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.871 3.417 3.054 2.761 2.522 2.325 2.158 2.016 1.891 1.778 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.872 3.418 3.055 2.762 2.524 2.326 2.160 2.018 1.893 1.781 1.674 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.874 3.420 3.057 2.765 2.526 2.328 2.163 2.020 1.896 1.784 1.679 1.573 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.876 3.422 3.060 2.767 2.529 2.331 2.166 2.024 1.900 1.789 1.684 1.581 1.474 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.879 3.426 3.063 2.771 2.532 2.335 2.170 2.028 1.905 1.795 1.691 1.590 1.486 1.382 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.882 3.430 3.067 2.775 2.537 2.340 2.175 2.034 1.911 1.802 1.700 1.602 1.501 1.397 1.317 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.884 3.433 3.071 2.778 2.540 2.343 2.178 2.038 1.916 1.807 1.707 1.610 1.513 1.411 1.300 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.888 3.437 3.075 2.783 2.545 2.348 2.184 2.044 1.922 1.815 1.716 1.622 1.529 1.432 1.312 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.891 3.441 3.079 2.788 2.550 2.353 2.189 2.049 1.929 1.822 1.725 1.634 1.545 1.454 1.338 2.605 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.894 3.445 3.084 2.792 2.554 2.358 2.194 2.055 1.935 1.829 1.733 1.645 1.560 1.474 1.368 1.870 2.211 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.897 3.449 3.088 2.796 2.558 2.362 2.199 2.060 1.940 1.836 1.742 1.655 1.574 1.494 1.398 1.690 1.829 2.052 2.348 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.900 3.452 3.092 2.800 2.563 2.367 2.203 2.065 1.946 1.842 1.749 1.665 1.587 1.512 1.427 1.612 1.686 1.798 1.960 2.164 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.902 3.456 3.096 2.804 2.567 2.371 2.208 2.070 1.952 1.848 1.757 1.674 1.599 1.529 1.453 1.571 1.615 1.680 1.774 1.899 2.049 2.203 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.905 3.459 3.099 2.808 2.571 2.375 2.212 2.075 1.957 1.854 1.764 1.683 1.611 1.545 1.477 1.547 1.574 1.615 1.674 1.753 1.853 1.969 2.091 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.907 3.463 3.103 2.812 2.575 2.379 2.217 2.079 1.962 1.860 1.771 1.691 1.621 1.558 1.498 1.533 1.550 1.577 1.615 1.668 1.735 1.818 1.911 2.010 2.105 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.909 3.466 3.106 2.815 2.578 2.383 2.221 2.084 1.967 1.866 1.777 1.699 1.631 1.571 1.516 1.525 1.535 1.553 1.579 1.615 1.661 1.720 1.789 1.867 1.949 2.031 2.108 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.912 3.469 3.110 2.819 2.582 2.387 2.225 2.088 1.972 1.871 1.783 1.706 1.639 1.582 1.532 1.521 1.526 1.538 1.555 1.580 1.613 1.655 1.707 1.766 1.832 1.902 1.973 2.043 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.914 3.472 3.113 2.822 2.585 2.391 2.229 2.092 1.976 1.876 1.789 1.713 1.648 1.592 1.545 1.519 1.521 1.528 1.540 1.557 1.581 1.612 1.650 1.695 1.747 1.804 1.865 1.928 1.991 2.054 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.916 3.475 3.116 2.826 2.589 2.394 2.232 2.097 1.981 1.881 1.795 1.720 1.655 1.601 1.556 1.519 1.519 1.523 1.530 1.542 1.559 1.582 1.610 1.645 1.685 1.731 1.781 1.835 1.892 1.950 2.008 99999.999 99999.999 99999.999 99999.999 99999.999 3.917 3.477 3.119 2.829 2.592 2.398 2.236 2.101 1.985 1.886 1.800 1.726 1.662 1.608 1.565 1.521 1.519 1.520 1.524 1.532 1.544 1.561 1.582 1.608 1.640 1.676 1.717 1.763 1.811 1.862 1.916 1.971 2.028 99999.999 99999.999 99999.999 3.919 3.480 3.122 2.832 2.596 2.401 2.240 2.104 1.990 1.891 1.806 1.732 1.669 1.615 1.573 1.523 1.520 1.519 1.521 1.526 1.534 1.546 1.562 1.583 1.607 1.636 1.669 1.706 1.747 1.791 1.838 1.888 1.940 1.994 99999.999 99999.999 3.921 3.483 3.125 2.835 2.599 2.404 2.243 2.108 1.994 1.896 1.811 1.738 1.675 1.622 1.579 1.527 1.522 1.520 1.520 1.523 1.528 1.537 1.549 1.564 1.583 1.606 1.632 1.663 1.697 1.735 1.775 1.819 1.865 1.914 1.965 2.019 3.922 3.485 3.128 2.838 2.602 2.408 2.247 2.112 1.998 1.900 1.816 1.743 1.681 1.628 1.585 1.531 1.525 1.522 1.520 1.521 1.524 1.530 1.539 1.551 1.565 1.583 1.605 1.630 1.658 1.689 1.724 1.762 1.802 1.845 1.891 1.940 3.932 3.505 3.152 2.863 2.628 2.435 2.276 2.143 2.032 1.939 1.859 1.790 1.732 1.682 1.641 1.581 1.572 1.565 1.558 1.552 1.547 1.544 1.541 1.539 1.538 1.538 1.539 1.541 1.544 1.548 1.553 1.560 1.568 1.576 1.587 1.598 3.935 3.518 3.169 2.882 2.648 2.456 2.298 2.168 2.059 1.968 1.892 1.827 1.772 1.726 1.688 1.631 1.623 1.615 1.608 1.602 1.596 1.591 1.587 1.583 1.580 1.578 1.575 1.574 1.572 1.572 1.571 1.571 1.572 1.573 1.574 1.576 3.932 3.526 3.181 2.896 2.664 2.473 2.316 2.187 2.080 1.991 1.917 1.856 1.804 1.762 1.726 1.675 1.667 1.660 1.654 1.648 1.643 1.639 1.635 1.632 1.629 1.626 1.624 1.622 1.621 1.619 1.618 1.617 1.617 1.616 1.616 1.616 3.925 3.530 3.189 2.907 2.675 2.485 2.330 2.201 2.096 2.009 1.938 1.879 1.830 1.790 1.758 1.712 1.705 1.699 1.694 1.689 1.685 1.681 1.678 1.676 1.674 1.672 1.670 1.669 1.668 1.667 1.667 1.667 1.666 1.666 1.666 1.666 3.914 3.531 3.194 2.914 2.684 2.495 2.340 2.213 2.109 2.024 1.954 1.897 1.851 1.814 1.784 1.743 1.737 1.732 1.728 1.724 1.721 1.718 1.716 1.714 1.713 1.712 1.711 1.711 1.711 1.711 1.712 1.712 1.713 1.713 1.714 1.715 3.901 3.529 3.196 2.919 2.690 2.502 2.348 2.222 2.119 2.035 1.967 1.912 1.868 1.833 1.805 1.769 1.764 1.760 1.756 1.753 1.751 1.749 1.748 1.747 1.747 1.747 1.747 1.748 1.749 1.750 1.751 1.752 1.754 1.755 1.757 1.759 3.885 3.525 3.197 2.921 2.694 2.507 2.354 2.229 2.127 2.044 1.978 1.924 1.882 1.848 1.823 1.791 1.787 1.783 1.781 1.779 1.777 1.776 1.776 1.776 1.776 1.777 1.778 1.779 1.781 1.783 1.785 1.787 1.790 1.792 1.795 1.797 99999.999 3.520 3.196 2.923 2.697 2.511 2.359 2.235 2.134 2.052 1.986 1.934 1.893 1.861 1.837 1.809 1.806 1.803 1.801 1.800 1.799 1.799 1.799 1.800 1.801 1.803 1.805 1.807 1.809 1.812 1.815 1.818 1.821 1.824 1.827 1.831 HSnO2- HSnO2(-1) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 3.000 Ref: Shock07 3 -3.000 1 1.000 42 2.000 2 17.778 16.599 15.698 14.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.778 16.599 15.698 14.999 14.457 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.778 16.599 15.697 14.999 14.457 14.036 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.777 16.599 15.697 14.999 14.456 14.036 13.713 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.777 16.598 15.697 14.999 14.456 14.035 13.713 13.471 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.776 16.598 15.696 14.998 14.455 14.035 13.712 13.470 13.295 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.774 16.596 15.695 14.997 14.454 14.034 13.711 13.468 13.294 13.179 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.772 16.595 15.694 14.996 14.453 14.032 13.709 13.466 13.292 13.176 13.115 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.769 16.592 15.692 14.994 14.451 14.030 13.707 13.464 13.288 13.172 13.110 13.104 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.764 16.589 15.689 14.991 14.448 14.027 13.704 13.460 13.284 13.167 13.103 13.093 13.152 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.759 16.585 15.685 14.988 14.445 14.023 13.700 13.455 13.279 13.160 13.094 13.081 13.131 13.289 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.751 16.580 15.680 14.983 14.440 14.018 13.694 13.449 13.271 13.151 13.083 13.066 13.107 13.234 13.611 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.745 16.575 15.677 14.979 14.436 14.015 13.690 13.445 13.266 13.145 13.075 13.055 13.090 13.200 13.472 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.737 16.569 15.671 14.974 14.431 14.009 13.684 13.438 13.258 13.135 13.063 13.040 13.068 13.161 13.360 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.728 16.562 15.665 14.968 14.425 14.003 13.678 13.431 13.250 13.126 13.052 13.026 13.048 13.128 13.289 16.182 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.719 16.555 15.659 14.963 14.420 13.997 13.671 13.424 13.243 13.117 13.042 13.012 13.030 13.101 13.238 14.539 15.402 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.710 16.549 15.653 14.957 14.414 13.991 13.665 13.417 13.235 13.108 13.031 12.999 13.013 13.076 13.197 14.095 14.506 15.125 16.006 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.701 16.542 15.647 14.951 14.408 13.986 13.659 13.411 13.227 13.100 13.021 12.987 12.997 13.054 13.164 13.862 14.128 14.490 14.982 15.625 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.692 16.535 15.641 14.946 14.403 13.980 13.652 13.404 13.220 13.091 13.011 12.975 12.982 13.034 13.135 13.709 13.907 14.159 14.484 14.897 15.407 15.996 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.683 16.527 15.635 14.940 14.397 13.973 13.646 13.397 13.212 13.083 13.001 12.963 12.967 13.015 13.108 13.596 13.755 13.949 14.189 14.484 14.843 15.268 15.748 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.673 16.520 15.628 14.933 14.391 13.967 13.640 13.390 13.205 13.074 12.991 12.951 12.953 12.997 13.084 13.508 13.641 13.799 13.989 14.216 14.487 14.806 15.172 15.578 16.012 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.664 16.513 15.622 14.927 14.385 13.961 13.633 13.383 13.197 13.066 12.981 12.940 12.939 12.979 13.061 13.437 13.551 13.685 13.842 14.027 14.243 14.493 14.781 15.103 15.456 15.831 16.218 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.654 16.505 15.615 14.921 14.378 13.955 13.627 13.376 13.190 13.057 12.972 12.929 12.926 12.962 13.040 13.376 13.477 13.593 13.728 13.883 14.062 14.268 14.501 14.764 15.053 15.366 15.696 16.036 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.645 16.498 15.609 14.915 14.372 13.949 13.620 13.369 13.182 13.049 12.963 12.918 12.913 12.946 13.019 13.323 13.414 13.517 13.635 13.770 13.923 14.096 14.292 14.511 14.752 15.015 15.296 15.591 15.896 16.205 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.635 16.490 15.602 14.908 14.366 13.942 13.614 13.362 13.175 13.041 12.953 12.907 12.900 12.930 12.998 13.277 13.359 13.452 13.558 13.676 13.810 13.960 14.128 14.315 14.521 14.745 14.986 15.242 15.509 15.784 16.064 99999.999 99999.999 99999.999 99999.999 99999.999 17.625 16.482 15.595 14.902 14.360 13.936 13.607 13.355 13.167 13.033 12.944 12.897 12.887 12.914 12.979 13.236 13.311 13.396 13.491 13.598 13.717 13.850 13.997 14.159 14.337 14.532 14.741 14.964 15.199 15.443 15.694 15.950 16.207 99999.999 99999.999 99999.999 17.615 16.475 15.588 14.895 14.353 13.929 13.600 13.348 13.160 13.024 12.935 12.886 12.875 12.899 12.959 13.199 13.268 13.346 13.433 13.530 13.638 13.757 13.888 14.031 14.188 14.359 14.543 14.739 14.947 15.164 15.389 15.620 15.855 16.092 99999.999 99999.999 17.605 16.467 15.581 14.889 14.347 13.923 13.594 13.341 13.152 13.016 12.926 12.876 12.863 12.884 12.941 13.165 13.230 13.302 13.382 13.471 13.569 13.677 13.795 13.924 14.065 14.217 14.380 14.555 14.739 14.934 15.136 15.345 15.559 15.776 15.996 16.216 17.595 16.459 15.574 14.882 14.340 13.916 13.587 13.334 13.145 13.008 12.917 12.866 12.851 12.870 12.923 13.134 13.194 13.262 13.336 13.419 13.509 13.608 13.716 13.833 13.960 14.097 14.244 14.400 14.566 14.741 14.924 15.113 15.308 15.507 15.710 15.914 17.491 16.375 15.500 14.812 14.272 13.849 13.518 13.263 13.071 12.930 12.832 12.772 12.744 12.746 12.775 12.908 12.946 12.988 13.034 13.083 13.136 13.193 13.253 13.317 13.385 13.456 13.531 13.610 13.692 13.778 13.867 13.960 14.055 14.154 14.256 14.360 17.383 16.287 15.421 14.739 14.201 13.778 13.448 13.192 12.997 12.853 12.751 12.686 12.651 12.643 12.660 12.758 12.786 12.818 12.852 12.889 12.929 12.971 13.015 13.063 13.112 13.164 13.217 13.273 13.332 13.392 13.454 13.518 13.583 13.651 13.719 13.790 17.271 16.195 15.339 14.662 14.127 13.706 13.376 13.119 12.924 12.778 12.673 12.604 12.565 12.552 12.561 12.638 12.662 12.688 12.716 12.747 12.780 12.815 12.852 12.890 12.931 12.974 13.018 13.064 13.111 13.160 13.210 13.262 13.315 13.369 13.424 13.480 17.157 16.101 15.254 14.583 14.052 13.632 13.303 13.047 12.851 12.704 12.598 12.526 12.484 12.467 12.472 12.536 12.556 12.579 12.604 12.630 12.659 12.690 12.722 12.757 12.792 12.830 12.868 12.909 12.950 12.993 13.037 13.082 13.128 13.175 13.223 13.272 17.041 16.005 15.168 14.503 13.975 13.558 13.230 12.974 12.778 12.631 12.524 12.451 12.407 12.387 12.388 12.444 12.462 12.483 12.505 12.529 12.556 12.583 12.613 12.644 12.677 12.711 12.746 12.783 12.821 12.860 12.900 12.941 12.983 13.026 13.070 13.114 16.923 15.908 15.081 14.422 13.898 13.483 13.157 12.902 12.706 12.558 12.451 12.377 12.332 12.310 12.310 12.359 12.376 12.395 12.416 12.438 12.463 12.489 12.516 12.545 12.576 12.608 12.641 12.675 12.711 12.747 12.785 12.823 12.863 12.903 12.944 12.986 16.804 15.810 14.993 14.340 13.820 13.408 13.084 12.830 12.635 12.487 12.380 12.305 12.259 12.236 12.234 12.279 12.295 12.313 12.333 12.354 12.377 12.402 12.428 12.456 12.485 12.515 12.547 12.579 12.613 12.648 12.684 12.721 12.758 12.797 12.836 12.876 99999.999 15.711 14.905 14.258 13.742 13.333 13.011 12.758 12.564 12.417 12.309 12.235 12.188 12.165 12.161 12.204 12.219 12.236 12.255 12.275 12.297 12.321 12.346 12.373 12.401 12.430 12.461 12.492 12.525 12.558 12.593 12.628 12.665 12.702 12.740 12.778 SrCO3,aq SrCO3(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 2.000 Ref: Shock07 3 -1.000 1 1.000 21 1.000 5 8.008 7.463 7.022 6.658 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.008 7.463 7.022 6.658 6.351 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.008 7.463 7.022 6.658 6.351 6.084 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.007 7.462 7.021 6.657 6.350 6.083 5.843 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.005 7.460 7.019 6.656 6.349 6.082 5.842 5.619 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.003 7.458 7.017 6.653 6.347 6.081 5.841 5.618 5.400 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.999 7.454 7.013 6.650 6.344 6.078 5.840 5.617 5.400 5.178 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.994 7.449 7.008 6.645 6.340 6.075 5.837 5.616 5.400 5.180 4.938 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.987 7.441 7.001 6.639 6.334 6.070 5.834 5.614 5.400 5.182 4.945 4.666 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.978 7.431 6.991 6.630 6.326 6.064 5.829 5.611 5.400 5.186 4.953 4.683 4.345 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.966 7.417 6.978 6.618 6.316 6.055 5.823 5.607 5.400 5.189 4.963 4.703 4.383 3.951 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.949 7.400 6.961 6.603 6.303 6.044 5.814 5.602 5.398 5.193 4.975 4.727 4.428 4.034 3.410 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.936 7.386 6.948 6.591 6.292 6.036 5.808 5.598 5.397 5.196 4.983 4.744 4.460 4.091 3.522 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.918 7.366 6.929 6.574 6.277 6.023 5.798 5.592 5.395 5.199 4.994 4.767 4.502 4.166 3.664 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.899 7.346 6.910 6.556 6.262 6.010 5.788 5.585 5.392 5.201 5.003 4.788 4.539 4.233 3.789 3.325 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.880 7.326 6.891 6.539 6.246 5.997 5.777 5.578 5.389 5.203 5.012 4.806 4.573 4.293 3.899 3.578 3.352 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.860 7.305 6.871 6.521 6.230 5.983 5.767 5.570 5.385 5.204 5.019 4.822 4.604 4.346 3.997 3.675 3.524 3.318 2.965 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.840 7.285 6.852 6.503 6.215 5.970 5.756 5.562 5.380 5.204 5.025 4.837 4.631 4.394 4.083 3.754 3.625 3.474 3.280 3.000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.820 7.264 6.832 6.485 6.199 5.956 5.745 5.554 5.376 5.203 5.030 4.850 4.656 4.436 4.159 3.822 3.706 3.577 3.427 3.243 3.002 2.677 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.800 7.243 6.812 6.467 6.182 5.942 5.733 5.545 5.371 5.202 5.034 4.861 4.677 4.473 4.225 3.882 3.775 3.660 3.531 3.384 3.210 2.995 2.725 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.780 7.222 6.792 6.448 6.166 5.928 5.721 5.537 5.365 5.200 5.037 4.871 4.696 4.506 4.282 3.935 3.836 3.731 3.616 3.489 3.345 3.180 2.984 2.751 2.477 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.759 7.200 6.772 6.430 6.149 5.914 5.710 5.527 5.359 5.198 5.040 4.879 4.713 4.535 4.331 3.983 3.891 3.793 3.688 3.574 3.449 3.310 3.153 2.974 2.768 2.535 2.277 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.738 7.179 6.751 6.411 6.133 5.899 5.698 5.518 5.353 5.196 5.042 4.887 4.727 4.559 4.373 4.027 3.940 3.849 3.752 3.648 3.536 3.414 3.279 3.131 2.965 2.781 2.579 2.360 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.717 7.157 6.731 6.392 6.116 5.885 5.685 5.509 5.346 5.193 5.043 4.893 4.740 4.581 4.408 4.067 3.985 3.900 3.809 3.713 3.610 3.500 3.381 3.252 3.112 2.959 2.793 2.614 2.426 2.229 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.696 7.136 6.710 6.373 6.099 5.870 5.673 5.499 5.340 5.189 5.043 4.898 4.751 4.599 4.438 4.104 4.027 3.946 3.861 3.771 3.676 3.576 3.468 3.353 3.229 3.096 2.955 2.804 2.645 2.480 2.312 99999.999 99999.999 99999.999 99999.999 99999.999 7.674 7.114 6.690 6.355 6.082 5.855 5.660 5.489 5.332 5.185 5.043 4.902 4.760 4.615 4.463 4.138 4.065 3.988 3.908 3.824 3.736 3.643 3.544 3.439 3.327 3.209 3.085 2.953 2.816 2.673 2.528 2.381 2.236 99999.999 99999.999 99999.999 7.653 7.092 6.669 6.335 6.065 5.840 5.648 5.478 5.325 5.181 5.042 4.905 4.768 4.628 4.483 4.169 4.100 4.028 3.952 3.873 3.790 3.703 3.611 3.515 3.413 3.306 3.193 3.076 2.954 2.828 2.700 2.571 2.442 2.316 99999.999 99999.999 7.631 7.070 6.648 6.316 6.048 5.825 5.635 5.468 5.317 5.176 5.041 4.908 4.775 4.640 4.501 4.199 4.133 4.064 3.993 3.918 3.840 3.758 3.672 3.583 3.488 3.390 3.287 3.181 3.071 2.957 2.842 2.726 2.610 2.496 2.386 2.282 7.609 7.048 6.627 6.297 6.030 5.809 5.622 5.457 5.309 5.171 5.039 4.909 4.780 4.650 4.516 4.226 4.163 4.098 4.030 3.959 3.886 3.809 3.728 3.644 3.557 3.465 3.371 3.272 3.171 3.068 2.963 2.857 2.751 2.647 2.546 2.449 7.380 6.819 6.411 6.099 5.851 5.650 5.483 5.341 5.217 5.106 5.003 4.904 4.809 4.715 4.621 4.426 4.385 4.343 4.300 4.255 4.210 4.163 4.115 4.065 4.014 3.961 3.907 3.852 3.795 3.737 3.678 3.618 3.558 3.497 3.436 3.376 7.136 6.580 6.187 5.892 5.662 5.480 5.333 5.211 5.108 5.019 4.940 4.867 4.798 4.732 4.667 4.537 4.510 4.483 4.455 4.427 4.398 4.368 4.338 4.307 4.274 4.241 4.207 4.172 4.136 4.099 4.062 4.023 3.984 3.943 3.903 3.861 6.880 6.332 5.956 5.679 5.468 5.303 5.174 5.071 4.987 4.918 4.859 4.807 4.761 4.717 4.676 4.597 4.581 4.565 4.548 4.531 4.514 4.496 4.478 4.459 4.440 4.420 4.400 4.378 4.356 4.334 4.310 4.286 4.261 4.235 4.208 4.181 6.616 6.078 5.719 5.460 5.267 5.121 5.009 4.923 4.856 4.805 4.764 4.731 4.704 4.680 4.660 4.622 4.615 4.607 4.600 4.592 4.584 4.575 4.567 4.558 4.548 4.538 4.528 4.517 4.505 4.493 4.480 4.466 4.452 4.437 4.421 4.405 6.344 5.819 5.478 5.237 5.062 4.933 4.838 4.768 4.718 4.683 4.659 4.643 4.633 4.627 4.624 4.622 4.622 4.622 4.622 4.622 4.621 4.620 4.619 4.618 4.617 4.615 4.612 4.609 4.606 4.602 4.597 4.592 4.587 4.580 4.573 4.565 6.067 5.555 5.232 5.010 4.853 4.741 4.663 4.609 4.574 4.554 4.545 4.544 4.550 4.560 4.572 4.603 4.609 4.616 4.622 4.628 4.634 4.640 4.646 4.651 4.656 4.661 4.665 4.669 4.672 4.675 4.678 4.679 4.681 4.681 4.681 4.681 5.785 5.288 4.983 4.780 4.641 4.546 4.483 4.445 4.425 4.419 4.425 4.438 4.458 4.482 4.509 4.568 4.580 4.592 4.605 4.616 4.628 4.640 4.651 4.662 4.673 4.684 4.694 4.703 4.712 4.721 4.729 4.737 4.744 4.751 4.756 4.762 99999.999 5.018 4.731 4.547 4.426 4.348 4.301 4.277 4.272 4.280 4.299 4.326 4.359 4.396 4.436 4.522 4.539 4.556 4.573 4.590 4.607 4.624 4.640 4.657 4.672 4.688 4.703 4.718 4.732 4.746 4.759 4.772 4.784 4.795 4.806 4.816 Sr(HCO3)+ Sr(HCO3)(+1) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 1.000 Ref: Shock07 2 1.000 21 1.000 5 -0.972 -1.230 -1.550 -1.892 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.972 -1.230 -1.550 -1.892 -2.243 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.971 -1.230 -1.550 -1.892 -2.243 -2.601 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.971 -1.229 -1.549 -1.891 -2.243 -2.600 -2.964 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.970 -1.229 -1.549 -1.891 -2.242 -2.599 -2.963 -3.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.969 -1.228 -1.548 -1.890 -2.241 -2.598 -2.961 -3.332 -3.715 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.967 -1.227 -1.547 -1.889 -2.240 -2.597 -2.959 -3.330 -3.712 -4.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.965 -1.225 -1.545 -1.887 -2.238 -2.594 -2.956 -3.326 -3.707 -4.106 -4.535 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.962 -1.222 -1.543 -1.885 -2.235 -2.591 -2.952 -3.321 -3.700 -4.097 -4.522 -4.994 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.957 -1.219 -1.540 -1.881 -2.231 -2.586 -2.947 -3.314 -3.691 -4.085 -4.506 -4.970 -5.505 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.952 -1.215 -1.536 -1.877 -2.227 -2.581 -2.940 -3.305 -3.680 -4.070 -4.485 -4.940 -5.458 -6.087 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.945 -1.210 -1.532 -1.873 -2.221 -2.574 -2.931 -3.294 -3.666 -4.052 -4.459 -4.902 -5.401 -5.994 -6.810 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.940 -1.207 -1.528 -1.869 -2.217 -2.569 -2.925 -3.286 -3.656 -4.038 -4.441 -4.875 -5.359 -5.928 -6.695 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.934 -1.202 -1.524 -1.864 -2.211 -2.562 -2.916 -3.275 -3.641 -4.019 -4.415 -4.838 -5.304 -5.841 -6.543 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.927 -1.198 -1.520 -1.860 -2.206 -2.555 -2.908 -3.264 -3.627 -4.001 -4.390 -4.803 -5.253 -5.762 -6.408 -7.188 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.922 -1.194 -1.516 -1.856 -2.201 -2.549 -2.900 -3.254 -3.614 -3.984 -4.367 -4.771 -5.205 -5.690 -6.287 -6.980 -7.260 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.917 -1.190 -1.513 -1.852 -2.196 -2.543 -2.892 -3.244 -3.602 -3.967 -4.345 -4.741 -5.162 -5.624 -6.178 -6.887 -7.108 -7.376 -7.783 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.912 -1.187 -1.509 -1.848 -2.192 -2.538 -2.885 -3.235 -3.590 -3.952 -4.324 -4.712 -5.121 -5.564 -6.080 -6.805 -7.009 -7.231 -7.492 -7.833 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.908 -1.184 -1.507 -1.845 -2.188 -2.533 -2.878 -3.226 -3.579 -3.937 -4.305 -4.685 -5.083 -5.509 -5.993 -6.731 -6.924 -7.129 -7.351 -7.604 -7.911 -8.301 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.904 -1.181 -1.504 -1.842 -2.184 -2.528 -2.872 -3.218 -3.568 -3.923 -4.286 -4.660 -5.049 -5.459 -5.915 -6.663 -6.849 -7.042 -7.246 -7.467 -7.713 -7.997 -8.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.900 -1.179 -1.502 -1.840 -2.181 -2.523 -2.866 -3.210 -3.557 -3.910 -4.269 -4.637 -5.017 -5.414 -5.846 -6.602 -6.780 -6.965 -7.158 -7.361 -7.579 -7.817 -8.084 -8.387 -8.729 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.897 -1.177 -1.500 -1.837 -2.178 -2.519 -2.860 -3.203 -3.547 -3.897 -4.252 -4.615 -4.987 -5.373 -5.785 -6.545 -6.718 -6.896 -7.080 -7.271 -7.473 -7.687 -7.918 -8.170 -8.447 -8.750 -9.079 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.894 -1.175 -1.499 -1.835 -2.175 -2.515 -2.855 -3.195 -3.538 -3.884 -4.236 -4.594 -4.960 -5.336 -5.732 -6.492 -6.660 -6.832 -7.009 -7.192 -7.382 -7.581 -7.791 -8.015 -8.254 -8.510 -8.784 -9.075 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.892 -1.174 -1.497 -1.833 -2.172 -2.511 -2.850 -3.189 -3.529 -3.873 -4.221 -4.574 -4.935 -5.303 -5.685 -6.442 -6.606 -6.773 -6.944 -7.120 -7.302 -7.490 -7.687 -7.892 -8.108 -8.335 -8.574 -8.825 -9.086 -9.354 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.890 -1.173 -1.496 -1.832 -2.170 -2.508 -2.845 -3.182 -3.520 -3.861 -4.206 -4.556 -4.911 -5.273 -5.644 -6.396 -6.555 -6.718 -6.884 -7.055 -7.229 -7.410 -7.596 -7.788 -7.988 -8.197 -8.413 -8.638 -8.870 -9.108 -9.349 99999.999 99999.999 99999.999 99999.999 99999.999 -0.888 -1.172 -1.495 -1.830 -2.168 -2.505 -2.841 -3.176 -3.512 -3.851 -4.193 -4.539 -4.889 -5.245 -5.608 -6.352 -6.508 -6.667 -6.828 -6.994 -7.163 -7.336 -7.514 -7.698 -7.886 -8.081 -8.282 -8.489 -8.701 -8.917 -9.136 -9.356 -9.574 99999.999 99999.999 99999.999 -0.887 -1.172 -1.495 -1.829 -2.166 -2.502 -2.836 -3.170 -3.504 -3.841 -4.180 -4.522 -4.869 -5.220 -5.576 -6.310 -6.463 -6.618 -6.776 -6.937 -7.101 -7.269 -7.440 -7.616 -7.796 -7.981 -8.171 -8.364 -8.562 -8.762 -8.965 -9.168 -9.370 -9.569 99999.999 99999.999 -0.886 -1.171 -1.494 -1.828 -2.165 -2.499 -2.832 -3.165 -3.497 -3.831 -4.167 -4.507 -4.849 -5.196 -5.547 -6.271 -6.421 -6.572 -6.727 -6.884 -7.043 -7.206 -7.372 -7.542 -7.715 -7.892 -8.073 -8.256 -8.443 -8.632 -8.823 -9.014 -9.203 -9.391 -9.574 -9.752 -0.885 -1.172 -1.494 -1.828 -2.163 -2.497 -2.829 -3.159 -3.490 -3.821 -4.155 -4.492 -4.831 -5.174 -5.521 -6.233 -6.380 -6.529 -6.680 -6.834 -6.989 -7.148 -7.309 -7.474 -7.641 -7.811 -7.985 -8.161 -8.339 -8.519 -8.700 -8.882 -9.062 -9.241 -9.416 -9.587 -0.895 -1.185 -1.505 -1.833 -2.160 -2.484 -2.804 -3.121 -3.435 -3.747 -4.058 -4.370 -4.681 -4.993 -5.305 -5.935 -6.062 -6.190 -6.318 -6.448 -6.578 -6.709 -6.841 -6.974 -7.109 -7.244 -7.380 -7.517 -7.655 -7.794 -7.933 -8.072 -8.212 -8.351 -8.490 -8.629 -0.930 -1.219 -1.534 -1.855 -2.174 -2.489 -2.799 -3.103 -3.403 -3.700 -3.994 -4.286 -4.576 -4.865 -5.153 -5.726 -5.841 -5.955 -6.070 -6.186 -6.301 -6.417 -6.533 -6.650 -6.767 -6.884 -7.002 -7.121 -7.240 -7.359 -7.479 -7.599 -7.720 -7.841 -7.962 -8.083 -0.985 -1.269 -1.577 -1.890 -2.201 -2.507 -2.808 -3.101 -3.390 -3.673 -3.952 -4.228 -4.502 -4.772 -5.040 -5.571 -5.677 -5.782 -5.887 -5.993 -6.098 -6.203 -6.308 -6.414 -6.519 -6.625 -6.731 -6.837 -6.944 -7.050 -7.157 -7.265 -7.372 -7.480 -7.588 -7.696 -1.056 -1.332 -1.632 -1.937 -2.240 -2.537 -2.828 -3.112 -3.390 -3.662 -3.929 -4.191 -4.450 -4.705 -4.957 -5.454 -5.552 -5.650 -5.748 -5.845 -5.943 -6.040 -6.137 -6.234 -6.331 -6.428 -6.525 -6.622 -6.720 -6.817 -6.914 -7.012 -7.110 -7.208 -7.306 -7.405 -1.140 -1.406 -1.697 -1.993 -2.287 -2.575 -2.858 -3.133 -3.401 -3.662 -3.918 -4.169 -4.415 -4.657 -4.896 -5.364 -5.456 -5.548 -5.640 -5.731 -5.822 -5.913 -6.003 -6.094 -6.184 -6.274 -6.364 -6.454 -6.544 -6.634 -6.724 -6.815 -6.905 -6.995 -7.086 -7.177 -1.234 -1.489 -1.770 -2.057 -2.342 -2.622 -2.895 -3.161 -3.421 -3.673 -3.919 -4.159 -4.395 -4.625 -4.852 -5.295 -5.382 -5.469 -5.556 -5.642 -5.727 -5.813 -5.898 -5.983 -6.067 -6.152 -6.236 -6.320 -6.405 -6.489 -6.573 -6.657 -6.742 -6.826 -6.911 -6.995 -1.337 -1.579 -1.850 -2.128 -2.403 -2.674 -2.939 -3.197 -3.448 -3.692 -3.929 -4.160 -4.385 -4.606 -4.822 -5.243 -5.326 -5.408 -5.490 -5.572 -5.653 -5.734 -5.814 -5.894 -5.974 -6.054 -6.134 -6.213 -6.293 -6.372 -6.451 -6.531 -6.610 -6.689 -6.769 -6.848 99999.999 -1.676 -1.936 -2.204 -2.470 -2.733 -2.989 -3.239 -3.482 -3.717 -3.946 -4.168 -4.385 -4.596 -4.803 -5.205 -5.284 -5.362 -5.440 -5.518 -5.595 -5.672 -5.748 -5.824 -5.900 -5.976 -6.051 -6.127 -6.202 -6.277 -6.352 -6.428 -6.503 -6.578 -6.653 -6.729 SrCl+ SrCl(+) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 2 1.000 3 1.000 21 0.321 0.248 0.112 -0.058 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.321 0.248 0.112 -0.058 -0.252 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.321 0.249 0.112 -0.058 -0.252 -0.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.321 0.249 0.113 -0.058 -0.252 -0.464 -0.693 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.322 0.249 0.113 -0.057 -0.251 -0.463 -0.692 -0.939 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.323 0.250 0.114 -0.057 -0.250 -0.462 -0.691 -0.937 -1.203 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.324 0.251 0.115 -0.055 -0.249 -0.460 -0.689 -0.934 -1.199 -1.489 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.326 0.253 0.117 -0.054 -0.247 -0.458 -0.686 -0.931 -1.195 -1.483 -1.804 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.329 0.255 0.119 -0.051 -0.244 -0.455 -0.682 -0.926 -1.188 -1.474 -1.793 -2.160 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.332 0.258 0.122 -0.048 -0.240 -0.450 -0.677 -0.919 -1.180 -1.463 -1.778 -2.138 -2.568 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.336 0.262 0.125 -0.044 -0.236 -0.445 -0.670 -0.911 -1.169 -1.449 -1.758 -2.110 -2.524 -3.046 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.342 0.266 0.130 -0.039 -0.230 -0.438 -0.662 -0.900 -1.156 -1.432 -1.735 -2.075 -2.472 -2.960 -3.660 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.346 0.270 0.133 -0.036 -0.226 -0.433 -0.655 -0.893 -1.146 -1.419 -1.717 -2.050 -2.434 -2.899 -3.552 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.351 0.274 0.138 -0.031 -0.220 -0.426 -0.647 -0.882 -1.132 -1.401 -1.693 -2.015 -2.382 -2.819 -3.411 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.356 0.278 0.142 -0.026 -0.214 -0.419 -0.638 -0.871 -1.119 -1.384 -1.670 -1.983 -2.335 -2.746 -3.287 -3.977 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.361 0.283 0.146 -0.021 -0.209 -0.413 -0.630 -0.861 -1.106 -1.367 -1.648 -1.953 -2.291 -2.679 -3.175 -3.750 -4.008 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.366 0.286 0.150 -0.017 -0.204 -0.406 -0.622 -0.851 -1.094 -1.352 -1.627 -1.924 -2.250 -2.618 -3.075 -3.654 -3.848 -4.090 -4.462 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.370 0.290 0.154 -0.013 -0.199 -0.400 -0.615 -0.842 -1.082 -1.336 -1.607 -1.897 -2.212 -2.563 -2.985 -3.572 -3.748 -3.943 -4.175 -4.484 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.374 0.293 0.157 -0.009 -0.194 -0.394 -0.608 -0.833 -1.071 -1.322 -1.588 -1.872 -2.177 -2.512 -2.904 -3.501 -3.665 -3.841 -4.035 -4.259 -4.534 -4.885 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.377 0.297 0.161 -0.005 -0.189 -0.389 -0.601 -0.824 -1.060 -1.308 -1.570 -1.848 -2.145 -2.466 -2.833 -3.436 -3.592 -3.756 -3.932 -4.124 -4.341 -4.594 -4.895 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.381 0.299 0.164 -0.001 -0.185 -0.383 -0.594 -0.816 -1.049 -1.295 -1.553 -1.826 -2.115 -2.424 -2.769 -3.378 -3.527 -3.682 -3.846 -4.021 -4.210 -4.419 -4.655 -4.925 -5.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.384 0.302 0.167 0.002 -0.181 -0.378 -0.587 -0.807 -1.039 -1.282 -1.537 -1.805 -2.087 -2.386 -2.713 -3.323 -3.467 -3.616 -3.771 -3.934 -4.107 -4.293 -4.495 -4.717 -4.962 -5.232 -5.524 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.386 0.305 0.170 0.006 -0.177 -0.373 -0.581 -0.800 -1.029 -1.269 -1.521 -1.785 -2.061 -2.351 -2.663 -3.273 -3.412 -3.555 -3.703 -3.858 -4.020 -4.191 -4.373 -4.568 -4.778 -5.004 -5.246 -5.503 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.389 0.307 0.172 0.009 -0.173 -0.368 -0.575 -0.792 -1.019 -1.257 -1.506 -1.766 -2.036 -2.319 -2.619 -3.226 -3.360 -3.498 -3.641 -3.789 -3.943 -4.104 -4.272 -4.450 -4.637 -4.836 -5.046 -5.268 -5.498 -5.735 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.391 0.309 0.175 0.012 -0.169 -0.364 -0.569 -0.785 -1.010 -1.246 -1.492 -1.748 -2.014 -2.291 -2.581 -3.182 -3.312 -3.446 -3.584 -3.726 -3.874 -4.026 -4.185 -4.350 -4.523 -4.704 -4.893 -5.090 -5.293 -5.502 -5.715 99999.999 99999.999 99999.999 99999.999 99999.999 0.393 0.311 0.177 0.015 -0.166 -0.359 -0.564 -0.778 -1.001 -1.235 -1.478 -1.731 -1.993 -2.264 -2.547 -3.140 -3.267 -3.397 -3.531 -3.668 -3.810 -3.956 -4.107 -4.263 -4.425 -4.593 -4.767 -4.947 -5.132 -5.322 -5.513 -5.706 -5.897 99999.999 99999.999 99999.999 0.395 0.313 0.179 0.017 -0.162 -0.355 -0.558 -0.771 -0.993 -1.224 -1.465 -1.714 -1.973 -2.240 -2.516 -3.101 -3.225 -3.351 -3.481 -3.614 -3.751 -3.892 -4.037 -4.186 -4.339 -4.498 -4.661 -4.828 -5.000 -5.174 -5.351 -5.529 -5.705 -5.879 99999.999 99999.999 0.396 0.315 0.181 0.020 -0.159 -0.351 -0.553 -0.764 -0.984 -1.214 -1.452 -1.699 -1.954 -2.217 -2.489 -3.063 -3.184 -3.308 -3.434 -3.564 -3.696 -3.832 -3.972 -4.115 -4.262 -4.413 -4.567 -4.726 -4.887 -5.050 -5.216 -5.382 -5.547 -5.710 -5.870 -6.025 0.398 0.316 0.183 0.022 -0.156 -0.347 -0.548 -0.758 -0.976 -1.204 -1.440 -1.684 -1.936 -2.195 -2.463 -3.027 -3.146 -3.267 -3.390 -3.516 -3.645 -3.777 -3.912 -4.050 -4.191 -4.336 -4.484 -4.634 -4.788 -4.943 -5.099 -5.256 -5.413 -5.568 -5.720 -5.868 0.399 0.322 0.193 0.038 -0.133 -0.315 -0.506 -0.704 -0.908 -1.119 -1.335 -1.557 -1.784 -2.016 -2.252 -2.740 -2.840 -2.942 -3.044 -3.148 -3.252 -3.359 -3.466 -3.575 -3.685 -3.796 -3.909 -4.022 -4.137 -4.253 -4.370 -4.487 -4.604 -4.722 -4.840 -4.957 0.383 0.314 0.192 0.044 -0.121 -0.296 -0.478 -0.666 -0.859 -1.055 -1.256 -1.461 -1.670 -1.882 -2.096 -2.533 -2.622 -2.712 -2.802 -2.893 -2.984 -3.076 -3.169 -3.262 -3.356 -3.451 -3.547 -3.644 -3.741 -3.839 -3.937 -4.037 -4.136 -4.237 -4.337 -4.438 0.353 0.295 0.181 0.040 -0.118 -0.286 -0.460 -0.639 -0.822 -1.008 -1.197 -1.388 -1.582 -1.777 -1.975 -2.375 -2.455 -2.536 -2.618 -2.700 -2.782 -2.864 -2.947 -3.030 -3.114 -3.199 -3.283 -3.369 -3.454 -3.541 -3.628 -3.715 -3.803 -3.891 -3.980 -4.069 0.312 0.268 0.163 0.029 -0.122 -0.283 -0.450 -0.622 -0.796 -0.973 -1.151 -1.331 -1.512 -1.695 -1.879 -2.248 -2.323 -2.397 -2.472 -2.547 -2.622 -2.698 -2.773 -2.849 -2.925 -3.002 -3.079 -3.156 -3.233 -3.311 -3.389 -3.468 -3.547 -3.627 -3.707 -3.787 0.261 0.233 0.138 0.012 -0.132 -0.286 -0.447 -0.611 -0.778 -0.946 -1.116 -1.286 -1.457 -1.629 -1.801 -2.146 -2.215 -2.285 -2.354 -2.423 -2.493 -2.563 -2.633 -2.703 -2.773 -2.843 -2.914 -2.985 -3.056 -3.127 -3.199 -3.271 -3.344 -3.416 -3.489 -3.563 0.204 0.193 0.108 -0.011 -0.147 -0.295 -0.449 -0.607 -0.767 -0.928 -1.089 -1.251 -1.413 -1.575 -1.738 -2.062 -2.127 -2.192 -2.257 -2.321 -2.386 -2.452 -2.517 -2.582 -2.647 -2.713 -2.779 -2.844 -2.910 -2.977 -3.043 -3.110 -3.177 -3.244 -3.312 -3.380 0.140 0.147 0.073 -0.037 -0.167 -0.308 -0.455 -0.607 -0.761 -0.915 -1.070 -1.225 -1.379 -1.533 -1.686 -1.992 -2.053 -2.114 -2.175 -2.237 -2.298 -2.359 -2.420 -2.481 -2.543 -2.604 -2.666 -2.727 -2.789 -2.851 -2.914 -2.976 -3.039 -3.102 -3.165 -3.229 99999.999 0.098 0.034 -0.068 -0.190 -0.324 -0.466 -0.612 -0.759 -0.908 -1.056 -1.204 -1.351 -1.498 -1.644 -1.934 -1.992 -2.050 -2.108 -2.165 -2.223 -2.281 -2.339 -2.397 -2.454 -2.512 -2.571 -2.629 -2.687 -2.746 -2.804 -2.863 -2.922 -2.982 -3.042 -3.101 SrF+ SrF(+) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 2 1.000 21 1.000 23 -0.116 -0.139 -0.238 -0.376 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.116 -0.139 -0.238 -0.376 -0.540 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.116 -0.139 -0.238 -0.376 -0.540 -0.725 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.112 -0.136 -0.235 -0.373 -0.537 -0.721 -0.924 -1.146 -1.388 -1.656 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.110 -0.135 -0.234 -0.372 -0.535 -0.719 -0.922 -1.142 -1.384 -1.650 -1.952 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.107 -0.133 -0.232 -0.369 -0.533 -0.716 -0.918 -1.137 -1.377 -1.642 -1.940 -2.289 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-2.596 -2.970 -3.498 -3.644 -3.798 -3.965 -4.156 -4.390 -4.696 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.052 -0.089 -0.189 -0.322 -0.478 -0.650 -0.836 -1.035 -1.247 -1.473 -1.714 -1.971 -2.248 -2.549 -2.897 -3.439 -3.580 -3.727 -3.882 -4.049 -4.237 -4.457 -4.722 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.048 -0.085 -0.185 -0.318 -0.473 -0.644 -0.829 -1.026 -1.236 -1.459 -1.696 -1.948 -2.217 -2.506 -2.832 -3.384 -3.520 -3.661 -3.808 -3.963 -4.130 -4.314 -4.521 -4.760 -5.033 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.044 -0.082 -0.182 -0.315 -0.469 -0.639 -0.822 -1.017 -1.225 -1.446 -1.679 -1.926 -2.188 -2.467 -2.774 -3.332 -3.464 -3.600 -3.741 -3.888 -4.043 -4.208 -4.387 -4.584 -4.802 -5.043 -5.307 99999.999 99999.999 99999.999 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-3.515 -3.642 -3.772 -3.906 -4.044 -4.187 -4.334 -4.486 -4.643 -4.806 -4.972 -5.142 -5.315 -5.487 -5.658 99999.999 99999.999 99999.999 -0.027 -0.068 -0.167 -0.298 -0.449 -0.614 -0.791 -0.979 -1.177 -1.386 -1.605 -1.833 -2.071 -2.318 -2.574 -3.115 -3.230 -3.347 -3.467 -3.590 -3.716 -3.846 -3.979 -4.115 -4.256 -4.400 -4.548 -4.700 -4.855 -5.012 -5.171 -5.330 -5.488 -5.643 99999.999 99999.999 -0.024 -0.065 -0.165 -0.295 -0.445 -0.609 -0.785 -0.972 -1.168 -1.375 -1.591 -1.817 -2.051 -2.294 -2.546 -3.078 -3.190 -3.305 -3.422 -3.541 -3.664 -3.789 -3.918 -4.049 -4.184 -4.322 -4.463 -4.607 -4.753 -4.901 -5.050 -5.200 -5.348 -5.494 -5.635 -5.772 -0.022 -0.063 -0.162 -0.292 -0.441 -0.605 -0.780 -0.965 -1.160 -1.364 -1.578 -1.801 -2.033 -2.272 -2.520 -3.042 -3.152 -3.264 -3.378 -3.495 -3.614 -3.736 -3.861 -3.988 -4.118 -4.251 -4.386 -4.523 -4.663 -4.804 -4.946 -5.088 -5.229 -5.367 -5.503 -5.634 -0.006 -0.048 -0.144 -0.269 -0.412 -0.568 -0.733 -0.906 -1.086 -1.273 -1.468 -1.668 -1.874 -2.086 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Radius(Å) = 2.31 Alk. = 1.000 Ref: Shock07 3 -1.000 1 1.000 21 1.000 2 14.641 13.302 12.192 11.260 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.641 13.302 12.192 11.260 10.468 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.641 13.303 12.193 11.261 10.468 9.787 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.641 13.303 12.193 11.261 10.469 9.787 9.195 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.642 13.303 12.193 11.261 10.469 9.788 9.196 8.675 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.642 13.304 12.194 11.262 10.470 9.789 9.196 8.676 8.214 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.644 13.305 12.195 11.263 10.471 9.790 9.198 8.677 8.215 7.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.645 13.307 12.197 11.265 10.473 9.792 9.199 8.679 8.217 7.802 7.423 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.647 13.309 12.199 11.267 10.475 9.794 9.202 8.682 8.220 7.805 7.427 7.075 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.650 13.312 12.202 11.270 10.478 9.797 9.205 8.685 8.224 7.810 7.432 7.082 6.751 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.654 13.316 12.206 11.274 10.482 9.801 9.209 8.690 8.229 7.815 7.439 7.091 6.763 6.456 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.658 13.321 12.211 11.279 10.486 9.806 9.214 8.695 8.235 7.822 7.448 7.102 6.777 6.470 6.204 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.662 13.324 12.214 11.282 10.490 9.809 9.218 8.699 8.239 7.827 7.454 7.110 6.788 6.482 6.186 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.666 13.329 12.219 11.287 10.495 9.814 9.223 8.705 8.246 7.835 7.463 7.121 6.804 6.502 6.197 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.671 13.334 12.224 11.292 10.500 9.819 9.228 8.710 8.252 7.842 7.471 7.132 6.818 6.522 6.221 7.096 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.675 13.339 12.229 11.296 10.504 9.824 9.233 8.716 8.257 7.848 7.479 7.142 6.832 6.541 6.249 6.388 6.655 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.679 13.343 12.233 11.301 10.509 9.828 9.238 8.721 8.263 7.855 7.487 7.152 6.845 6.559 6.276 6.215 6.287 6.442 6.671 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.683 13.347 12.237 11.305 10.513 9.833 9.243 8.726 8.268 7.861 7.494 7.161 6.857 6.576 6.303 6.140 6.148 6.197 6.295 6.436 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.687 13.351 12.242 11.309 10.517 9.837 9.247 8.730 8.274 7.867 7.501 7.170 6.869 6.592 6.327 6.099 6.079 6.083 6.115 6.179 6.269 6.367 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.690 13.355 12.245 11.313 10.521 9.841 9.251 8.735 8.279 7.872 7.507 7.178 6.879 6.606 6.349 6.076 6.040 6.020 6.018 6.038 6.080 6.139 6.206 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.694 13.359 12.249 11.317 10.525 9.845 9.255 8.739 8.283 7.878 7.514 7.186 6.889 6.619 6.369 6.061 6.016 5.982 5.961 5.955 5.965 5.992 6.031 6.076 6.121 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.697 13.363 12.253 11.321 10.529 9.849 9.259 8.744 8.288 7.883 7.520 7.193 6.898 6.630 6.386 6.053 6.001 5.958 5.925 5.903 5.893 5.896 5.912 5.937 5.968 6.000 6.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.700 13.366 12.256 11.324 10.532 9.852 9.263 8.748 8.293 7.888 7.525 7.199 6.906 6.641 6.400 6.048 5.992 5.943 5.901 5.869 5.846 5.833 5.831 5.838 5.853 5.874 5.897 5.920 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.703 13.369 12.260 11.328 10.536 9.856 9.267 8.752 8.297 7.893 7.531 7.206 6.913 6.650 6.412 6.046 5.986 5.933 5.886 5.846 5.814 5.790 5.775 5.768 5.770 5.778 5.790 5.807 5.825 5.843 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.705 13.372 12.263 11.331 10.539 9.859 9.270 8.755 8.301 7.897 7.536 7.212 6.920 6.658 6.422 6.046 5.984 5.927 5.876 5.831 5.792 5.761 5.736 5.719 5.709 5.706 5.708 5.716 5.726 5.740 5.756 99999.999 99999.999 99999.999 99999.999 99999.999 14.708 13.375 12.266 11.334 10.542 9.863 9.274 8.759 8.305 7.902 7.541 7.217 6.926 6.665 6.430 6.047 5.983 5.924 5.869 5.821 5.777 5.740 5.708 5.683 5.665 5.652 5.645 5.644 5.647 5.654 5.664 5.677 5.693 99999.999 99999.999 99999.999 14.711 13.378 12.269 11.337 10.545 9.866 9.277 8.762 8.309 7.906 7.546 7.223 6.932 6.671 6.437 6.049 5.983 5.922 5.866 5.814 5.767 5.725 5.688 5.657 5.632 5.612 5.598 5.588 5.584 5.584 5.588 5.595 5.606 5.620 99999.999 99999.999 14.713 13.381 12.272 11.340 10.548 9.869 9.280 8.766 8.313 7.910 7.550 7.228 6.937 6.677 6.443 6.051 5.985 5.922 5.864 5.810 5.760 5.715 5.674 5.639 5.608 5.582 5.561 5.546 5.534 5.528 5.525 5.527 5.532 5.540 5.552 5.568 14.715 13.384 12.275 11.343 10.551 9.872 9.283 8.769 8.316 7.914 7.555 7.233 6.943 6.682 6.448 6.054 5.987 5.923 5.864 5.808 5.756 5.708 5.664 5.625 5.590 5.560 5.534 5.513 5.496 5.483 5.475 5.470 5.470 5.473 5.479 5.489 14.731 13.404 12.297 11.365 10.574 9.895 9.308 8.796 8.346 7.947 7.592 7.273 6.987 6.729 6.496 6.097 6.026 5.958 5.893 5.831 5.771 5.713 5.658 5.606 5.555 5.507 5.461 5.418 5.376 5.337 5.300 5.265 5.233 5.202 5.174 5.148 14.737 13.416 12.310 11.379 10.589 9.911 9.325 8.814 8.366 7.970 7.618 7.303 7.020 6.765 6.535 6.138 6.068 6.000 5.934 5.871 5.811 5.752 5.696 5.641 5.589 5.538 5.489 5.442 5.396 5.352 5.309 5.268 5.228 5.190 5.153 5.117 14.736 13.420 12.317 11.387 10.597 9.920 9.335 8.826 8.380 7.986 7.636 7.324 7.045 6.793 6.566 6.173 6.104 6.036 5.972 5.909 5.849 5.791 5.735 5.680 5.628 5.577 5.528 5.480 5.434 5.390 5.346 5.304 5.263 5.223 5.185 5.147 14.729 13.419 12.318 11.390 10.601 9.925 9.341 8.833 8.388 7.996 7.649 7.339 7.062 6.813 6.589 6.202 6.133 6.066 6.002 5.941 5.881 5.824 5.769 5.715 5.663 5.613 5.565 5.518 5.472 5.428 5.385 5.344 5.303 5.264 5.225 5.188 14.717 13.414 12.315 11.389 10.601 9.926 9.343 8.836 8.392 8.002 7.657 7.349 7.075 6.828 6.606 6.224 6.156 6.090 6.028 5.967 5.908 5.852 5.797 5.745 5.694 5.644 5.597 5.551 5.506 5.463 5.420 5.380 5.340 5.301 5.263 5.227 14.701 13.405 12.309 11.384 10.597 9.923 9.341 8.836 8.393 8.004 7.661 7.355 7.083 6.838 6.619 6.241 6.174 6.109 6.047 5.987 5.930 5.874 5.821 5.769 5.719 5.670 5.624 5.578 5.534 5.492 5.451 5.411 5.372 5.334 5.297 5.261 14.683 13.393 12.300 11.377 10.591 9.918 9.337 8.833 8.392 8.004 7.662 7.358 7.087 6.845 6.627 6.254 6.188 6.124 6.063 6.004 5.947 5.892 5.839 5.788 5.739 5.691 5.645 5.601 5.558 5.516 5.476 5.436 5.398 5.361 5.325 5.290 99999.999 13.379 12.289 11.367 10.583 9.911 9.332 8.828 8.388 8.002 7.661 7.358 7.089 6.849 6.633 6.263 6.198 6.135 6.074 6.016 5.960 5.906 5.854 5.804 5.755 5.708 5.663 5.619 5.577 5.536 5.496 5.458 5.421 5.384 5.349 5.315 U+4 U+4 P-T:All Charge = 4. Radius(Å) = 2.00 Alk. = 0.000 Ref: Shock07 5 1.750 1 1.000 30 0.250 6 -1.000 2 -0.250 4 -1.926 -0.627 0.475 1.414 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.926 -0.627 0.475 1.414 2.226 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.927 -0.628 0.474 1.413 2.225 2.938 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.929 -0.630 0.472 1.411 2.223 2.936 3.572 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.933 -0.633 0.469 1.409 2.221 2.933 3.569 4.146 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.938 -0.638 0.464 1.404 2.216 2.929 3.565 4.142 4.675 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.946 -0.645 0.457 1.398 2.210 2.922 3.558 4.135 4.667 5.170 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.958 -0.656 0.447 1.388 2.201 2.913 3.549 4.125 4.657 5.158 5.645 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.975 -0.671 0.433 1.375 2.188 2.900 3.536 4.112 4.642 5.143 5.627 6.111 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.997 -0.691 0.415 1.357 2.171 2.883 3.518 4.094 4.623 5.122 5.603 6.083 6.564 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.025 -0.716 0.391 1.334 2.148 2.861 3.496 4.070 4.599 5.095 5.572 6.045 6.521 6.965 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.061 -0.749 0.360 1.305 2.120 2.833 3.467 4.041 4.567 5.060 5.533 5.998 6.464 6.922 7.206 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.089 -0.775 0.337 1.283 2.098 2.812 3.446 4.018 4.543 5.034 5.503 5.962 6.420 6.877 7.311 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.129 -0.811 0.303 1.251 2.067 2.781 3.414 3.986 4.510 4.997 5.461 5.912 6.357 6.805 7.298 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.169 -0.846 0.270 1.219 2.037 2.751 3.384 3.954 4.476 4.962 5.421 5.863 6.296 6.730 7.223 1.841 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.208 -0.882 0.237 1.188 2.007 2.721 3.354 3.923 4.444 4.926 5.381 5.816 6.238 6.655 7.127 5.255 3.723 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.247 -0.916 0.205 1.157 1.977 2.691 3.324 3.893 4.412 4.892 5.343 5.771 6.181 6.583 7.027 6.051 5.470 4.479 3.038 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.285 -0.951 0.173 1.127 1.947 2.662 3.295 3.863 4.381 4.859 5.305 5.727 6.128 6.514 6.928 6.397 6.111 5.642 4.928 3.963 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.323 -0.985 0.141 1.097 1.918 2.634 3.266 3.834 4.350 4.826 5.269 5.685 6.077 6.450 6.835 6.583 6.430 6.176 5.790 5.244 4.544 3.752 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.360 -1.019 0.109 1.067 1.889 2.605 3.238 3.805 4.320 4.794 5.234 5.645 6.030 6.390 6.749 6.691 6.611 6.468 6.244 5.922 5.489 4.954 4.351 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.397 -1.052 0.078 1.037 1.861 2.577 3.210 3.776 4.290 4.762 5.200 5.607 5.985 6.335 6.672 6.756 6.721 6.643 6.511 6.314 6.042 5.691 5.267 4.792 4.295 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.434 -1.086 0.048 1.008 1.833 2.550 3.182 3.748 4.261 4.731 5.166 5.570 5.942 6.284 6.604 6.794 6.789 6.753 6.679 6.558 6.385 6.154 5.863 5.518 5.133 4.725 4.312 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.471 -1.119 0.017 0.979 1.805 2.523 3.155 3.720 4.232 4.701 5.134 5.534 5.902 6.237 6.544 6.815 6.831 6.823 6.787 6.717 6.608 6.456 6.258 6.013 5.727 5.408 5.066 4.714 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.507 -1.151 -0.013 0.951 1.777 2.496 3.128 3.693 4.203 4.671 5.102 5.500 5.864 6.195 6.492 6.823 6.855 6.868 6.858 6.823 6.758 6.660 6.526 6.355 6.147 5.906 5.636 5.346 5.041 4.727 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.543 -1.183 -0.043 0.922 1.750 2.469 3.101 3.665 4.176 4.642 5.071 5.466 5.829 6.156 6.447 6.823 6.866 6.894 6.904 6.894 6.860 6.801 6.713 6.596 6.447 6.268 6.062 5.831 5.580 5.314 5.035 99999.999 99999.999 99999.999 99999.999 99999.999 -2.579 -1.215 -0.073 0.894 1.723 2.442 3.075 3.639 4.148 4.613 5.041 5.434 5.795 6.120 6.408 6.816 6.869 6.908 6.933 6.941 6.930 6.899 6.846 6.767 6.664 6.534 6.379 6.200 6.000 5.781 5.546 5.297 5.035 99999.999 99999.999 99999.999 -2.614 -1.247 -0.102 0.866 1.696 2.416 3.049 3.612 4.121 4.585 5.011 5.403 5.762 6.086 6.373 6.805 6.864 6.913 6.949 6.971 6.978 6.968 6.939 6.891 6.821 6.730 6.616 6.481 6.325 6.149 5.956 5.748 5.524 5.287 99999.999 99999.999 -2.649 -1.279 -0.131 0.839 1.670 2.390 3.023 3.586 4.094 4.557 4.982 5.373 5.731 6.055 6.342 6.790 6.855 6.910 6.955 6.988 7.009 7.015 7.006 6.980 6.937 6.875 6.794 6.694 6.575 6.438 6.283 6.112 5.925 5.724 5.509 5.279 -2.684 -1.310 -0.160 0.812 1.644 2.365 2.998 3.561 4.068 4.530 4.953 5.343 5.700 6.024 6.313 6.772 6.841 6.903 6.955 6.996 7.027 7.046 7.053 7.045 7.022 6.984 6.929 6.857 6.769 6.663 6.542 6.404 6.251 6.084 5.903 5.707 -3.017 -1.609 -0.437 0.551 1.394 2.122 2.757 3.319 3.821 4.275 4.689 5.068 5.416 5.735 6.026 6.528 6.616 6.700 6.779 6.855 6.927 6.994 7.057 7.116 7.171 7.221 7.266 7.307 7.343 7.373 7.399 7.419 7.433 7.442 7.445 7.442 -3.328 -1.889 -0.696 0.308 1.162 1.897 2.538 3.100 3.600 4.049 4.455 4.826 5.165 5.477 5.762 6.264 6.354 6.441 6.525 6.607 6.685 6.761 6.834 6.904 6.972 7.038 7.101 7.163 7.222 7.278 7.333 7.386 7.436 7.485 7.531 7.576 -3.623 -2.153 -0.939 0.079 0.945 1.688 2.333 2.898 3.398 3.844 4.245 4.609 4.941 5.245 5.524 6.016 6.105 6.191 6.275 6.356 6.435 6.511 6.585 6.657 6.727 6.796 6.862 6.927 6.991 7.053 7.114 7.174 7.232 7.290 7.347 7.402 -3.904 -2.405 -1.171 -0.137 0.739 1.491 2.141 2.710 3.210 3.655 4.053 4.412 4.739 5.036 5.309 5.789 5.876 5.960 6.042 6.121 6.198 6.273 6.346 6.417 6.486 6.554 6.620 6.684 6.747 6.810 6.871 6.931 6.990 7.049 7.106 7.164 -4.175 -2.647 -1.393 -0.345 0.543 1.303 1.960 2.532 3.034 3.479 3.875 4.231 4.553 4.845 5.112 5.581 5.666 5.748 5.828 5.905 5.980 6.053 6.123 6.192 6.260 6.325 6.390 6.453 6.514 6.575 6.634 6.693 6.750 6.807 6.864 6.920 -4.437 -2.881 -1.607 -0.544 0.355 1.123 1.786 2.362 2.868 3.313 3.709 4.063 4.381 4.669 4.931 5.390 5.473 5.553 5.630 5.706 5.779 5.849 5.918 5.985 6.050 6.114 6.176 6.237 6.297 6.355 6.412 6.469 6.524 6.579 6.634 6.687 -4.692 -3.108 -1.814 -0.736 0.173 0.950 1.619 2.200 2.709 3.156 3.552 3.905 4.221 4.506 4.764 5.214 5.295 5.373 5.449 5.522 5.593 5.662 5.729 5.794 5.857 5.919 5.979 6.038 6.096 6.152 6.207 6.262 6.315 6.368 6.420 6.471 99999.999 -3.330 -2.015 -0.923 -0.003 0.782 1.458 2.044 2.556 3.006 3.403 3.755 4.070 4.353 4.608 5.050 5.130 5.206 5.280 5.352 5.421 5.488 5.554 5.617 5.679 5.739 5.797 5.854 5.910 5.964 6.018 6.070 6.122 6.173 6.223 6.272 U+4 U+4 P-T:All Charge = 4. Radius(Å) = 2.00 Alk. = 0.000 Ref: Shock07 4 2.000 1 1.000 30 -0.500 31 -1.000 2 36.099 33.952 32.084 30.442 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.099 33.952 32.084 30.442 28.988 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.098 33.952 32.084 30.442 28.988 27.692 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.097 33.951 32.083 30.441 28.987 27.691 26.532 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.095 33.949 32.081 30.439 28.985 27.689 26.530 25.491 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.091 33.946 32.078 30.437 28.982 27.687 26.528 25.488 24.552 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.086 33.941 32.074 30.433 28.978 27.683 26.524 25.483 24.547 23.706 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.078 33.935 32.068 30.427 28.973 27.677 26.518 25.477 24.541 23.699 22.945 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.068 33.926 32.060 30.419 28.965 27.669 26.510 25.469 24.532 23.688 22.933 22.259 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.054 33.914 32.049 30.408 28.955 27.659 26.499 25.457 24.520 23.675 22.918 22.241 21.627 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.037 33.898 32.034 30.395 28.942 27.646 26.485 25.443 24.504 23.658 22.898 22.218 21.603 20.986 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.014 33.878 32.016 30.378 28.925 27.629 26.468 25.425 24.484 23.636 22.872 22.187 21.569 20.982 20.173 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.997 33.863 32.002 30.364 28.912 27.616 26.455 25.410 24.469 23.619 22.853 22.164 21.542 20.963 20.346 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.972 33.842 31.982 30.345 28.893 27.597 26.436 25.391 24.448 23.596 22.826 22.131 21.502 20.924 20.400 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.948 33.820 31.963 30.327 28.875 27.579 26.417 25.371 24.427 23.573 22.800 22.099 21.462 20.879 20.376 12.510 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.924 33.800 31.944 30.309 28.857 27.562 26.399 25.352 24.407 23.551 22.774 22.068 21.423 20.831 20.324 16.460 14.348 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.901 33.779 31.925 30.291 28.840 27.544 26.381 25.333 24.387 23.529 22.749 22.038 21.386 20.783 20.260 17.413 16.398 14.910 12.879 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.877 33.759 31.906 30.273 28.823 27.527 26.364 25.315 24.367 23.508 22.725 22.010 21.350 20.737 20.195 17.849 17.176 16.296 15.132 13.667 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.855 33.739 31.887 30.255 28.806 27.510 26.346 25.297 24.348 23.487 22.702 21.982 21.316 20.694 20.132 18.098 17.582 16.953 16.175 15.212 14.064 12.793 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.832 33.719 31.869 30.238 28.789 27.493 26.329 25.279 24.329 23.467 22.680 21.956 21.285 20.654 20.073 18.257 17.827 17.329 16.742 16.043 15.218 14.271 13.237 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.810 33.699 31.851 30.221 28.773 27.477 26.313 25.262 24.311 23.447 22.658 21.931 21.255 20.618 20.021 18.364 17.988 17.567 17.089 16.540 15.906 15.182 14.373 13.501 12.599 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.788 33.680 31.834 30.204 28.756 27.461 26.296 25.245 24.293 23.428 22.637 21.908 21.228 20.585 19.975 18.439 18.099 17.728 17.319 16.861 16.346 15.766 15.120 14.412 13.656 12.873 12.082 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.766 33.661 31.816 30.188 28.740 27.445 26.280 25.228 24.276 23.409 22.616 21.885 21.202 20.555 19.936 18.491 18.177 17.842 17.478 17.081 16.644 16.160 15.625 15.040 14.409 13.740 13.047 12.342 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.745 33.642 31.799 30.172 28.724 27.429 26.264 25.212 24.258 23.390 22.596 21.863 21.178 20.529 19.904 18.529 18.234 17.923 17.593 17.238 16.854 16.436 15.980 15.484 14.949 14.378 13.777 13.154 12.517 11.874 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.724 33.624 31.782 30.156 28.709 27.414 26.249 25.196 24.241 23.372 22.577 21.842 21.156 20.505 19.877 18.555 18.275 17.983 17.677 17.353 17.007 16.636 16.236 15.806 15.343 14.849 14.327 13.780 13.213 12.633 12.043 99999.999 99999.999 99999.999 99999.999 99999.999 35.703 33.605 31.765 30.140 28.693 27.399 26.233 25.180 24.225 23.355 22.558 21.822 21.135 20.484 19.855 18.572 18.304 18.027 17.740 17.438 17.121 16.784 16.426 16.044 15.636 15.203 14.744 14.262 13.758 13.238 12.704 12.160 11.607 99999.999 99999.999 99999.999 35.682 33.587 31.748 30.124 28.678 27.384 26.218 25.164 24.208 23.337 22.540 21.803 21.116 20.465 19.837 18.584 18.325 18.060 17.786 17.502 17.207 16.896 16.569 16.224 15.859 15.472 15.064 14.635 14.186 13.720 13.238 12.744 12.238 11.723 99999.999 99999.999 35.662 33.570 31.732 30.108 28.663 27.369 26.203 25.149 24.192 23.320 22.522 21.784 21.097 20.447 19.821 18.590 18.339 18.083 17.821 17.551 17.272 16.982 16.680 16.362 16.029 15.679 15.312 14.926 14.523 14.103 13.668 13.219 12.759 12.287 11.806 11.316 35.642 33.552 31.716 30.093 28.648 27.354 26.188 25.134 24.176 23.303 22.504 21.766 21.078 20.429 19.807 18.592 18.347 18.099 17.846 17.588 17.322 17.048 16.765 16.470 16.163 15.841 15.506 15.155 14.790 14.409 14.015 13.607 13.187 12.756 12.315 11.864 35.453 33.385 31.563 29.949 28.509 27.218 26.051 24.994 24.030 23.150 22.342 21.597 20.906 20.259 19.649 18.510 18.292 18.077 17.864 17.652 17.443 17.234 17.026 16.818 16.611 16.404 16.196 15.987 15.777 15.566 15.352 15.137 14.920 14.700 14.478 14.253 35.282 33.234 31.424 29.818 28.384 27.095 25.929 24.870 23.903 23.017 22.202 21.450 20.753 20.102 19.492 18.368 18.157 17.949 17.745 17.545 17.347 17.153 16.962 16.773 16.587 16.404 16.222 16.043 15.867 15.692 15.519 15.347 15.178 15.010 14.843 14.678 35.126 33.096 31.296 29.698 28.269 26.983 25.819 24.759 23.789 22.899 22.079 21.321 20.618 19.962 19.347 18.223 18.012 17.806 17.604 17.406 17.212 17.022 16.835 16.652 16.471 16.295 16.121 15.951 15.783 15.619 15.457 15.298 15.142 14.989 14.838 14.690 34.981 32.967 31.178 29.587 28.163 26.880 25.717 24.657 23.687 22.794 21.970 21.207 20.497 19.836 19.217 18.086 17.874 17.668 17.466 17.268 17.074 16.884 16.698 16.515 16.336 16.161 15.989 15.821 15.656 15.494 15.336 15.180 15.028 14.879 14.733 14.590 34.846 32.846 31.067 29.482 28.063 26.784 25.623 24.564 23.592 22.698 21.871 21.103 20.389 19.723 19.099 17.959 17.747 17.539 17.336 17.137 16.942 16.751 16.564 16.381 16.202 16.027 15.855 15.686 15.521 15.359 15.201 15.046 14.894 14.745 14.600 14.457 34.718 32.731 30.962 29.384 27.969 26.693 25.534 24.476 23.505 22.609 21.780 21.009 20.291 19.621 18.992 17.844 17.630 17.421 17.216 17.016 16.819 16.627 16.439 16.255 16.075 15.898 15.725 15.556 15.390 15.227 15.068 14.912 14.759 14.610 14.464 14.320 34.596 32.622 30.862 29.290 27.881 26.608 25.451 24.394 23.423 22.526 21.695 20.923 20.202 19.527 18.895 17.739 17.523 17.312 17.106 16.904 16.706 16.513 16.324 16.138 15.957 15.779 15.604 15.434 15.266 15.103 14.942 14.785 14.631 14.480 14.333 14.188 99999.999 32.517 30.766 29.201 27.796 26.526 25.372 24.316 23.345 22.449 21.617 20.842 20.119 19.442 18.805 17.642 17.425 17.213 17.005 16.802 16.603 16.408 16.217 16.030 15.847 15.668 15.492 15.320 15.152 14.987 14.825 14.666 14.511 14.359 14.210 14.064 U+3 U+3 P-T:All Charge = 3. Radius(Å) = 8.00 Alk. = 0.000 Ref: Shock07 5 0.625 1 0.375 6 1.000 30 -0.500 2 -0.375 4 14.074 13.187 12.513 11.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.074 13.187 12.513 11.983 11.560 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.073 13.186 12.513 11.983 11.559 11.219 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.071 13.184 12.511 11.981 11.558 11.218 10.946 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.067 13.181 12.509 11.979 11.555 11.215 10.944 10.731 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.062 13.177 12.504 11.975 11.552 11.212 10.941 10.727 10.565 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.055 13.170 12.498 11.969 11.546 11.207 10.935 10.722 10.560 10.445 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.044 13.160 12.489 11.961 11.538 11.199 10.928 10.714 10.552 10.436 10.367 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.029 13.147 12.477 11.950 11.528 11.188 10.917 10.704 10.541 10.424 10.354 10.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.008 13.129 12.461 11.935 11.513 11.175 10.904 10.690 10.527 10.409 10.337 10.314 10.344 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.982 13.106 12.440 11.915 11.494 11.156 10.886 10.672 10.508 10.389 10.315 10.287 10.311 10.389 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.948 13.077 12.413 11.890 11.471 11.133 10.863 10.649 10.484 10.364 10.287 10.254 10.269 10.340 10.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.922 13.054 12.392 11.870 11.452 11.115 10.845 10.631 10.466 10.345 10.265 10.229 10.238 10.301 10.444 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.885 13.021 12.363 11.843 11.426 11.090 10.820 10.606 10.440 10.318 10.235 10.194 10.195 10.245 10.383 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.848 12.989 12.333 11.815 11.400 11.065 10.795 10.581 10.415 10.291 10.206 10.160 10.153 10.192 10.311 8.935 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.812 12.957 12.304 11.788 11.374 11.040 10.771 10.557 10.390 10.265 10.178 10.128 10.114 10.141 10.240 9.659 9.326 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.776 12.926 12.276 11.762 11.349 11.016 10.747 10.533 10.366 10.239 10.150 10.096 10.076 10.092 10.171 9.809 9.679 9.472 9.209 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.740 12.894 12.247 11.735 11.324 10.991 10.723 10.509 10.342 10.214 10.123 10.066 10.040 10.047 10.107 9.856 9.791 9.691 9.548 9.377 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.704 12.863 12.219 11.709 11.299 10.967 10.700 10.486 10.318 10.190 10.097 10.036 10.005 10.004 10.047 9.869 9.831 9.776 9.698 9.595 9.476 9.367 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.669 12.833 12.191 11.683 11.274 10.944 10.677 10.463 10.295 10.166 10.071 10.008 9.973 9.964 9.992 9.865 9.842 9.810 9.764 9.703 9.626 9.541 9.460 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.634 12.802 12.163 11.657 11.250 10.920 10.654 10.440 10.272 10.142 10.046 9.981 9.941 9.927 9.942 9.852 9.838 9.819 9.791 9.754 9.706 9.648 9.585 9.524 9.473 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.599 12.772 12.136 11.631 11.226 10.897 10.631 10.418 10.249 10.119 10.022 9.954 9.912 9.892 9.897 9.835 9.827 9.815 9.798 9.775 9.745 9.708 9.664 9.616 9.569 9.528 9.496 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.564 12.742 12.108 11.606 11.202 10.874 10.609 10.396 10.226 10.096 9.998 9.929 9.883 9.859 9.856 9.814 9.810 9.803 9.794 9.780 9.762 9.738 9.709 9.675 9.638 9.602 9.568 9.539 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.530 12.712 12.081 11.581 11.178 10.851 10.587 10.374 10.204 10.073 9.974 9.904 9.856 9.829 9.820 9.792 9.790 9.787 9.782 9.775 9.764 9.750 9.731 9.709 9.683 9.655 9.626 9.598 9.572 9.548 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.496 12.682 12.055 11.556 11.155 10.829 10.565 10.352 10.183 10.051 9.951 9.879 9.830 9.800 9.787 9.769 9.769 9.768 9.766 9.763 9.758 9.750 9.739 9.725 9.708 9.689 9.667 9.644 9.621 9.597 9.573 99999.999 99999.999 99999.999 99999.999 99999.999 13.462 12.653 12.028 11.531 11.131 10.807 10.543 10.330 10.161 10.029 9.929 9.856 9.805 9.773 9.757 9.745 9.746 9.747 9.747 9.747 9.746 9.742 9.737 9.730 9.720 9.707 9.693 9.676 9.657 9.637 9.616 9.593 9.569 99999.999 99999.999 99999.999 13.429 12.624 12.002 11.507 11.108 10.784 10.522 10.309 10.140 10.007 9.906 9.833 9.781 9.748 9.730 9.721 9.723 9.725 9.727 9.728 9.730 9.730 9.729 9.726 9.722 9.715 9.706 9.695 9.682 9.667 9.650 9.631 9.610 9.585 99999.999 99999.999 13.396 12.595 11.975 11.483 11.085 10.763 10.500 10.288 10.119 9.986 9.885 9.810 9.758 9.723 9.704 9.697 9.699 9.702 9.705 9.708 9.711 9.714 9.716 9.717 9.716 9.714 9.710 9.704 9.696 9.686 9.674 9.660 9.643 9.623 9.600 9.573 13.363 12.566 11.949 11.459 11.063 10.741 10.479 10.267 10.098 9.965 9.863 9.788 9.735 9.700 9.680 9.673 9.675 9.678 9.682 9.686 9.691 9.695 9.699 9.703 9.706 9.707 9.707 9.705 9.702 9.697 9.689 9.680 9.668 9.652 9.634 9.613 13.042 12.289 11.699 11.227 10.845 10.533 10.278 10.070 9.902 9.768 9.662 9.582 9.523 9.481 9.455 9.440 9.441 9.445 9.449 9.455 9.463 9.471 9.480 9.491 9.502 9.515 9.528 9.541 9.555 9.570 9.584 9.599 9.613 9.627 9.641 9.655 12.739 12.027 11.463 11.009 10.641 10.339 10.092 9.889 9.723 9.589 9.482 9.399 9.336 9.290 9.259 9.232 9.232 9.233 9.236 9.240 9.245 9.252 9.260 9.269 9.279 9.291 9.303 9.317 9.331 9.347 9.363 9.380 9.398 9.416 9.436 9.455 12.449 11.777 11.238 10.803 10.448 10.156 9.917 9.719 9.557 9.424 9.317 9.233 9.167 9.118 9.083 9.048 9.046 9.045 9.045 9.047 9.051 9.055 9.061 9.068 9.076 9.086 9.096 9.107 9.120 9.134 9.148 9.164 9.180 9.198 9.216 9.235 12.169 11.538 11.023 10.605 10.263 9.982 9.750 9.559 9.400 9.270 9.164 9.079 9.012 8.961 8.923 8.881 8.878 8.875 8.874 8.875 8.876 8.879 8.883 8.888 8.894 8.901 8.910 8.919 8.930 8.941 8.954 8.967 8.981 8.997 9.013 9.030 11.898 11.306 10.816 10.415 10.086 9.815 9.591 9.406 9.252 9.125 9.021 8.936 8.869 8.816 8.776 8.729 8.725 8.721 8.719 8.718 8.718 8.719 8.721 8.725 8.729 8.735 8.742 8.749 8.758 8.768 8.778 8.790 8.802 8.816 8.830 8.845 11.633 11.080 10.615 10.231 9.915 9.654 9.438 9.259 9.110 8.987 8.885 8.801 8.734 8.681 8.640 8.589 8.583 8.579 8.576 8.573 8.572 8.573 8.574 8.576 8.579 8.584 8.589 8.595 8.602 8.610 8.619 8.629 8.640 8.652 8.664 8.678 11.375 10.860 10.419 10.052 9.749 9.499 9.291 9.118 8.974 8.854 8.755 8.673 8.606 8.553 8.512 8.459 8.452 8.447 8.443 8.440 8.438 8.437 8.438 8.439 8.441 8.444 8.449 8.454 8.460 8.467 8.474 8.483 8.492 8.503 8.514 8.526 99999.999 10.645 10.228 9.878 9.588 9.347 9.147 8.981 8.842 8.726 8.630 8.550 8.485 8.432 8.391 8.336 8.329 8.323 8.319 8.315 8.313 8.311 8.311 8.312 8.313 8.316 8.319 8.323 8.328 8.334 8.341 8.349 8.357 8.366 8.376 8.387 U+3 U+3 P-T:All Charge = 3. Radius(Å) = 8.00 Alk. = 0.000 Ref: Shock07 4 1.000 1 -0.750 31 1.000 30 -0.500 2 71.111 65.056 59.928 55.526 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.111 65.056 59.928 55.526 51.703 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.110 65.055 59.928 55.526 51.703 48.351 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.109 65.055 59.927 55.525 51.702 48.350 45.387 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.108 65.054 59.927 55.525 51.702 48.350 45.386 42.747 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.106 65.052 59.925 55.524 51.701 48.349 45.385 42.746 40.381 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.103 65.050 59.923 55.522 51.699 48.347 45.384 42.745 40.380 38.249 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.099 65.047 59.921 55.519 51.697 48.345 45.382 42.743 40.378 38.246 36.316 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.093 65.042 59.917 55.516 51.694 48.342 45.379 42.740 40.375 38.243 36.313 34.556 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.085 65.036 59.912 55.511 51.690 48.338 45.375 42.736 40.371 38.239 36.309 34.552 32.939 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.075 65.028 59.905 55.506 51.684 48.333 45.370 42.731 40.366 38.234 36.303 34.546 32.934 31.420 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.062 65.018 59.897 55.498 51.677 48.327 45.363 42.725 40.359 38.227 36.296 34.538 32.927 31.429 29.914 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.051 65.011 59.890 55.493 51.672 48.322 45.359 42.720 40.354 38.222 36.290 34.532 32.921 31.429 29.997 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.037 65.000 59.881 55.485 51.665 48.315 45.352 42.713 40.348 38.215 36.283 34.523 32.912 31.424 30.036 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.023 64.989 59.873 55.477 51.658 48.308 45.345 42.706 40.341 38.208 36.275 34.514 32.902 31.415 30.042 24.938 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.010 64.979 59.864 55.469 51.651 48.301 45.339 42.700 40.334 38.201 36.268 34.506 32.892 31.404 30.035 26.466 25.264 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.996 64.969 59.855 55.462 51.644 48.295 45.332 42.694 40.328 38.194 36.260 34.498 32.882 31.392 30.022 26.851 26.071 25.119 23.971 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.983 64.959 59.847 55.454 51.637 48.288 45.326 42.687 40.322 38.188 36.253 34.490 32.873 31.381 30.007 27.034 26.389 25.672 24.855 23.933 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.970 64.949 59.839 55.447 51.630 48.282 45.320 42.681 40.315 38.182 36.247 34.482 32.864 31.370 29.992 27.142 26.559 25.942 25.275 24.546 23.756 22.928 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.957 64.939 59.831 55.440 51.624 48.276 45.314 42.675 40.309 38.175 36.240 34.475 32.855 31.360 29.977 27.214 26.666 26.101 25.510 24.885 24.219 23.516 22.788 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.945 64.930 59.823 55.433 51.617 48.270 45.308 42.670 40.304 38.169 36.234 34.468 32.848 31.351 29.965 27.264 26.738 26.205 25.658 25.092 24.502 23.885 23.244 22.588 21.929 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.932 64.920 59.815 55.426 51.611 48.264 45.302 42.664 40.298 38.163 36.227 34.461 32.840 31.343 29.954 27.301 26.791 26.277 25.758 25.229 24.687 24.127 23.550 22.957 22.354 21.749 21.152 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.920 64.911 59.807 55.419 51.605 48.258 45.297 42.658 40.292 38.158 36.222 34.455 32.834 31.336 29.945 27.329 26.829 26.331 25.831 25.326 24.815 24.293 23.761 23.216 22.662 22.101 21.539 20.982 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.908 64.902 59.800 55.412 51.599 48.252 45.291 42.653 40.287 38.152 36.216 34.449 32.828 31.330 29.937 27.351 26.859 26.371 25.884 25.397 24.908 24.413 23.911 23.402 22.886 22.363 21.837 21.310 20.787 20.269 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.896 64.893 59.792 55.406 51.593 48.247 45.286 42.647 40.281 38.147 36.210 34.443 32.822 31.324 29.932 27.367 26.882 26.402 25.925 25.451 24.977 24.502 24.023 23.540 23.053 22.561 22.065 21.567 21.070 20.575 20.085 99999.999 99999.999 99999.999 99999.999 99999.999 70.884 64.884 59.785 55.399 51.587 48.241 45.281 42.642 40.276 38.141 36.205 34.438 32.817 31.319 29.928 27.380 26.900 26.426 25.958 25.493 25.031 24.570 24.108 23.645 23.179 22.711 22.240 21.768 21.295 20.823 20.353 19.887 19.426 99999.999 99999.999 99999.999 70.873 64.876 59.778 55.393 51.581 48.236 45.275 42.637 40.271 38.136 36.199 34.433 32.812 31.315 29.925 27.390 26.914 26.445 25.983 25.526 25.073 24.623 24.174 23.726 23.277 22.828 22.378 21.926 21.474 21.023 20.573 20.125 19.681 19.240 99999.999 99999.999 70.861 64.867 59.771 55.387 51.575 48.230 45.270 42.632 40.266 38.131 36.194 34.427 32.807 31.311 29.922 27.398 26.925 26.460 26.003 25.552 25.106 24.665 24.226 23.790 23.354 22.920 22.486 22.052 21.618 21.185 20.752 20.322 19.893 19.468 19.046 18.628 70.850 64.859 59.764 55.381 51.570 48.225 45.265 42.627 40.261 38.126 36.189 34.422 32.802 31.308 29.920 27.404 26.934 26.472 26.019 25.573 25.133 24.698 24.268 23.841 23.416 22.994 22.573 22.153 21.734 21.316 20.899 20.484 20.071 19.660 19.253 18.848 70.746 64.781 59.699 55.324 51.518 48.177 45.219 42.582 40.215 38.080 36.142 34.376 32.757 31.267 29.889 27.413 26.956 26.511 26.076 25.651 25.236 24.831 24.433 24.044 23.663 23.289 22.922 22.561 22.207 21.858 21.515 21.177 20.844 20.515 20.191 19.871 70.654 64.712 59.642 55.274 51.474 48.135 45.179 42.543 40.177 38.041 36.103 34.336 32.717 31.228 29.852 27.389 26.936 26.495 26.065 25.647 25.239 24.840 24.452 24.072 23.701 23.339 22.985 22.638 22.299 21.966 21.641 21.323 21.010 20.704 20.404 20.109 70.572 64.651 59.592 55.230 51.434 48.099 45.145 42.510 40.144 38.008 36.069 34.301 32.682 31.192 29.817 27.358 26.906 26.467 26.039 25.623 25.217 24.822 24.436 24.060 23.693 23.334 22.984 22.642 22.308 21.982 21.662 21.350 21.045 20.746 20.453 20.167 70.497 64.596 59.546 55.191 51.399 48.066 45.114 42.480 40.115 37.979 36.039 34.271 32.651 31.161 29.785 27.326 26.875 26.437 26.010 25.594 25.189 24.795 24.411 24.036 23.670 23.313 22.965 22.625 22.292 21.968 21.651 21.341 21.038 20.742 20.453 20.169 70.429 64.545 59.505 55.155 51.367 48.037 45.086 42.454 40.089 37.953 36.013 34.244 32.623 31.133 29.756 27.297 26.846 26.408 25.981 25.566 25.161 24.767 24.383 24.008 23.643 23.287 22.939 22.600 22.268 21.945 21.629 21.320 21.018 20.723 20.434 20.152 70.365 64.499 59.467 55.123 51.337 48.010 45.061 42.430 40.066 37.930 35.990 34.221 32.599 31.108 29.731 27.270 26.819 26.381 25.954 25.538 25.134 24.740 24.356 23.981 23.616 23.260 22.912 22.573 22.242 21.919 21.603 21.294 20.992 20.698 20.409 20.127 70.306 64.455 59.432 55.093 51.311 47.985 45.039 42.408 40.045 37.909 35.970 34.200 32.578 31.086 29.708 27.246 26.795 26.356 25.929 25.513 25.108 24.714 24.330 23.955 23.590 23.234 22.886 22.547 22.216 21.893 21.577 21.268 20.966 20.671 20.383 20.101 99999.999 64.414 59.399 55.065 51.286 47.963 45.017 42.388 40.025 37.890 35.951 34.181 32.558 31.066 29.687 27.224 26.772 26.333 25.906 25.490 25.085 24.691 24.306 23.932 23.566 23.210 22.862 22.523 22.191 21.868 21.552 21.243 20.941 20.646 20.358 20.075 UO+ UO+ P-T:All Charge = 1. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 5 -1.375 1 -0.375 4 1.000 30 0.375 6 0.500 2 28.941 25.895 23.486 21.533 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.941 25.895 23.486 21.533 19.923 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.940 25.895 23.486 21.533 19.923 18.582 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.940 25.895 23.486 21.532 19.923 18.581 17.452 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.939 25.894 23.485 21.532 19.923 18.581 17.452 16.494 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.937 25.893 23.485 21.531 19.922 18.581 17.452 16.494 15.677 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.934 25.891 23.483 21.531 19.922 18.580 17.452 16.494 15.677 14.976 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.931 25.889 23.482 21.529 19.921 18.580 17.451 16.494 15.677 14.976 14.372 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.925 25.886 23.479 21.528 19.920 18.579 17.451 16.494 15.677 14.977 14.372 13.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.918 25.881 23.476 21.525 19.918 18.578 17.450 16.493 15.677 14.977 14.373 13.851 13.407 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.909 25.876 23.472 21.522 19.916 18.576 17.449 16.493 15.677 14.977 14.374 13.853 13.407 13.057 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.897 25.868 23.467 21.519 19.913 18.574 17.447 16.492 15.677 14.978 14.376 13.855 13.409 13.043 12.865 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.888 25.863 23.463 21.516 19.910 18.572 17.446 16.491 15.677 14.979 14.377 13.857 13.411 13.038 12.777 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.875 25.854 23.457 21.511 19.907 18.570 17.444 16.490 15.677 14.979 14.379 13.860 13.415 13.038 12.731 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.861 25.846 23.451 21.507 19.904 18.567 17.443 16.489 15.676 14.980 14.380 13.863 13.419 13.042 12.719 14.919 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.848 25.837 23.445 21.502 19.900 18.565 17.441 16.488 15.676 14.980 14.381 13.866 13.424 13.047 12.720 13.338 14.027 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.835 25.829 23.439 21.498 19.897 18.562 17.439 16.487 15.676 14.980 14.383 13.869 13.428 13.053 12.727 12.939 13.192 13.642 14.317 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.821 25.821 23.433 21.493 19.893 18.559 17.437 16.486 15.675 14.980 14.384 13.871 13.432 13.059 12.737 12.748 12.863 13.070 13.398 13.854 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.808 25.812 23.427 21.489 19.890 18.557 17.435 16.485 15.674 14.980 14.385 13.873 13.435 13.065 12.747 12.633 12.684 12.789 12.961 13.216 13.552 13.944 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.794 25.804 23.421 21.484 19.886 18.554 17.433 16.483 15.674 14.980 14.385 13.875 13.439 13.070 12.757 12.556 12.571 12.622 12.717 12.864 13.069 13.329 13.632 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.781 25.795 23.415 21.480 19.883 18.551 17.431 16.482 15.673 14.980 14.386 13.876 13.441 13.074 12.765 12.500 12.493 12.512 12.562 12.647 12.774 12.944 13.154 13.396 13.655 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.767 25.787 23.409 21.475 19.879 18.548 17.429 16.481 15.672 14.980 14.386 13.877 13.443 13.077 12.771 12.458 12.436 12.434 12.455 12.503 12.580 12.691 12.835 13.009 13.209 13.424 13.646 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.754 25.778 23.403 21.470 19.876 18.546 17.427 16.479 15.671 14.980 14.387 13.878 13.445 13.079 12.775 12.425 12.392 12.375 12.377 12.400 12.445 12.516 12.614 12.738 12.886 13.054 13.237 13.428 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.740 25.770 23.397 21.466 19.872 18.543 17.425 16.478 15.671 14.980 14.387 13.879 13.446 13.081 12.778 12.399 12.358 12.330 12.318 12.323 12.346 12.390 12.455 12.542 12.651 12.779 12.924 13.081 13.248 13.420 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.727 25.761 23.391 21.461 19.868 18.540 17.423 16.476 15.670 14.979 14.387 13.880 13.447 13.082 12.779 12.378 12.330 12.295 12.272 12.264 12.271 12.295 12.337 12.397 12.475 12.572 12.684 12.811 12.949 13.096 13.249 99999.999 99999.999 99999.999 99999.999 99999.999 28.713 25.753 23.385 21.456 19.865 18.537 17.420 16.475 15.669 14.979 14.387 13.880 13.447 13.082 12.778 12.361 12.308 12.266 12.235 12.218 12.213 12.222 12.247 12.286 12.342 12.413 12.499 12.599 12.712 12.835 12.966 13.104 13.247 99999.999 99999.999 99999.999 28.699 25.744 23.378 21.452 19.861 18.534 17.418 16.473 15.668 14.978 14.387 13.880 13.448 13.081 12.777 12.347 12.290 12.242 12.206 12.180 12.166 12.164 12.175 12.200 12.238 12.289 12.355 12.433 12.523 12.624 12.734 12.853 12.978 13.109 99999.999 99999.999 28.686 25.735 23.372 21.447 19.857 18.531 17.416 16.471 15.666 14.978 14.387 13.880 13.448 13.081 12.775 12.335 12.274 12.223 12.181 12.150 12.128 12.118 12.118 12.131 12.155 12.191 12.240 12.300 12.371 12.453 12.545 12.645 12.753 12.867 12.987 13.112 28.672 25.727 23.366 21.442 19.853 18.528 17.414 16.470 15.665 14.977 14.387 13.880 13.447 13.080 12.773 12.325 12.261 12.207 12.161 12.124 12.097 12.080 12.072 12.075 12.088 12.112 12.147 12.193 12.249 12.315 12.390 12.473 12.565 12.664 12.768 12.879 28.535 25.640 23.303 21.394 19.815 18.497 17.389 16.451 15.652 14.969 14.383 13.880 13.447 13.078 12.763 12.278 12.201 12.131 12.067 12.009 11.957 11.910 11.869 11.833 11.802 11.777 11.757 11.742 11.731 11.726 11.725 11.729 11.738 11.751 11.768 11.790 28.396 25.552 23.240 21.344 19.775 18.465 17.363 16.430 15.636 14.957 14.376 13.876 13.446 13.078 12.763 12.268 12.188 12.113 12.044 11.981 11.922 11.868 11.819 11.774 11.733 11.696 11.663 11.634 11.608 11.586 11.567 11.552 11.539 11.530 11.523 11.519 28.257 25.463 23.175 21.294 19.735 18.432 17.335 16.407 15.617 14.943 14.365 13.869 13.443 13.077 12.763 12.267 12.186 12.110 12.040 11.975 11.914 11.858 11.805 11.757 11.713 11.673 11.636 11.602 11.572 11.544 11.519 11.498 11.478 11.462 11.447 11.435 28.117 25.374 23.110 21.243 19.693 18.397 17.306 16.383 15.598 14.927 14.353 13.861 13.437 13.074 12.762 12.268 12.187 12.112 12.041 11.975 11.914 11.857 11.804 11.755 11.710 11.668 11.630 11.594 11.562 11.533 11.506 11.482 11.461 11.441 11.424 11.409 27.976 25.284 23.044 21.192 19.652 18.362 17.277 16.358 15.577 14.910 14.339 13.850 13.430 13.069 12.760 12.269 12.189 12.114 12.043 11.978 11.916 11.860 11.807 11.758 11.712 11.670 11.631 11.596 11.563 11.533 11.506 11.481 11.459 11.439 11.421 11.405 27.836 25.195 22.978 21.140 19.609 18.327 17.247 16.332 15.555 14.891 14.324 13.838 13.420 13.062 12.755 12.269 12.189 12.115 12.045 11.980 11.919 11.862 11.810 11.761 11.716 11.674 11.635 11.600 11.567 11.538 11.510 11.486 11.463 11.443 11.425 11.409 27.695 25.105 22.912 21.088 19.567 18.291 17.216 16.306 15.532 14.872 14.307 13.824 13.410 13.054 12.750 12.267 12.188 12.114 12.045 11.981 11.921 11.865 11.812 11.764 11.719 11.678 11.640 11.605 11.572 11.543 11.516 11.491 11.469 11.449 11.432 11.416 99999.999 25.015 22.846 21.036 19.524 18.256 17.186 16.280 15.509 14.852 14.290 13.810 13.398 13.045 12.742 12.264 12.186 12.113 12.044 11.980 11.921 11.865 11.814 11.766 11.722 11.681 11.643 11.609 11.577 11.548 11.521 11.497 11.475 11.456 11.439 11.423 UO+ UO+ P-T:All Charge = 1. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 -1.000 1 -0.750 31 1.000 30 0.500 2 85.978 77.764 70.901 65.075 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.978 77.764 70.901 65.075 60.067 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.978 77.765 70.901 65.076 60.067 55.713 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.979 77.765 70.902 65.077 60.068 55.714 51.893 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.979 77.766 70.903 65.078 60.069 55.715 51.894 48.511 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.981 77.768 70.905 65.080 60.071 55.718 51.896 48.513 45.493 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.983 77.771 70.908 65.083 60.075 55.721 51.900 48.517 45.497 42.780 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.986 77.775 70.913 65.088 60.079 55.726 51.905 48.522 45.503 42.786 40.320 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.990 77.781 70.919 65.094 60.086 55.732 51.912 48.529 45.511 42.795 40.331 38.072 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.995 77.788 70.927 65.102 60.094 55.741 51.921 48.539 45.521 42.807 40.345 38.089 36.002 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.002 77.798 70.937 65.113 60.105 55.753 51.933 48.552 45.535 42.822 40.363 38.112 36.031 34.088 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.011 77.810 70.951 65.127 60.120 55.767 51.948 48.568 45.552 42.841 40.385 38.139 36.067 34.132 32.315 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.017 77.819 70.961 65.138 60.131 55.778 51.960 48.580 45.565 42.856 40.402 38.160 36.094 34.167 32.329 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.027 77.833 70.976 65.153 60.146 55.794 51.976 48.597 45.584 42.877 40.426 38.189 36.132 34.216 32.384 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.037 77.846 70.990 65.168 60.162 55.810 51.992 48.614 45.602 42.897 40.449 38.217 36.167 34.264 32.449 30.922 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.046 77.859 71.005 65.183 60.177 55.826 52.009 48.631 45.620 42.916 40.471 38.244 36.202 34.310 32.515 30.145 29.966 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.055 77.872 71.019 65.198 60.192 55.841 52.024 48.648 45.638 42.935 40.493 38.270 36.234 34.353 32.578 29.981 29.584 29.290 29.079 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.064 77.885 71.033 65.212 60.207 55.856 52.040 48.664 45.655 42.954 40.514 38.295 36.265 34.393 32.638 29.926 29.460 29.051 28.705 28.410 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.074 77.898 71.047 65.227 60.221 55.871 52.055 48.680 45.672 42.972 40.534 38.318 36.294 34.431 32.692 29.907 29.412 28.954 28.539 28.167 27.831 27.505 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.083 77.910 71.061 65.241 60.236 55.886 52.071 48.696 45.689 42.990 40.554 38.341 36.321 34.466 32.742 29.905 29.395 28.913 28.463 28.046 27.662 27.304 26.960 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.092 77.923 71.075 65.255 60.250 55.901 52.086 48.711 45.705 43.008 40.573 38.363 36.347 34.498 32.787 29.912 29.393 28.898 28.428 27.985 27.570 27.181 26.814 26.460 26.111 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.100 77.935 71.088 65.269 60.265 55.915 52.100 48.727 45.721 43.025 40.592 38.385 36.372 34.528 32.827 29.925 29.400 28.896 28.415 27.956 27.522 27.110 26.721 26.350 25.994 25.645 25.301 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.109 77.948 71.102 65.283 60.279 55.929 52.115 48.742 45.737 43.042 40.610 38.405 36.395 34.556 32.863 29.940 29.411 28.903 28.414 27.946 27.498 27.072 26.666 26.279 25.909 25.553 25.208 24.870 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.118 77.960 71.115 65.297 60.293 55.944 52.130 48.757 45.753 43.059 40.628 38.425 36.417 34.582 32.895 29.958 29.426 28.914 28.420 27.946 27.490 27.053 26.635 26.236 25.854 25.487 25.134 24.793 24.463 24.141 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.126 77.972 71.128 65.311 60.306 55.958 52.144 48.772 45.768 43.075 40.646 38.444 36.439 34.606 32.924 29.976 29.443 28.928 28.431 27.952 27.491 27.047 26.621 26.212 25.820 25.443 25.082 24.734 24.398 24.074 23.762 99999.999 99999.999 99999.999 99999.999 99999.999 86.135 77.984 71.142 65.324 60.320 55.972 52.158 48.786 45.783 43.091 40.663 38.462 36.459 34.628 32.949 29.996 29.462 28.945 28.446 27.964 27.498 27.049 26.617 26.201 25.801 25.417 25.047 24.692 24.350 24.020 23.703 23.398 23.105 99999.999 99999.999 99999.999 86.143 77.996 71.155 65.338 60.334 55.985 52.172 48.801 45.798 43.107 40.680 38.480 36.478 34.649 32.972 30.016 29.481 28.963 28.462 27.978 27.509 27.057 26.620 26.199 25.793 25.402 25.026 24.664 24.315 23.980 23.657 23.347 23.049 22.763 99999.999 99999.999 86.152 78.008 71.167 65.351 60.347 55.999 52.186 48.815 45.813 43.123 40.697 38.498 36.497 34.669 32.993 30.036 29.500 28.982 28.480 27.994 27.523 27.069 26.629 26.204 25.793 25.397 25.016 24.647 24.293 23.951 23.623 23.307 23.003 22.712 22.433 22.167 86.160 78.019 71.180 65.364 60.361 56.012 52.200 48.829 45.828 43.138 40.713 38.515 36.515 34.688 33.013 30.056 29.520 29.001 28.498 28.011 27.539 27.083 26.640 26.213 25.799 25.399 25.013 24.640 24.280 23.933 23.599 23.278 22.968 22.671 22.387 22.114 86.239 78.132 71.303 65.491 60.489 56.141 52.330 48.962 45.965 43.281 40.863 38.674 36.682 34.864 33.197 30.251 29.716 29.197 28.694 28.205 27.730 27.270 26.822 26.386 25.963 25.551 25.151 24.762 24.383 24.014 23.656 23.307 22.968 22.639 22.318 22.007 86.312 78.237 71.419 65.610 60.608 56.261 52.451 49.084 46.090 43.409 40.996 38.813 36.828 35.016 33.356 30.424 29.891 29.375 28.874 28.388 27.915 27.457 27.011 26.577 26.155 25.744 25.344 24.955 24.576 24.206 23.846 23.495 23.152 22.818 22.491 22.173 86.380 78.337 71.528 65.722 60.721 56.374 52.563 49.198 46.205 43.527 41.117 38.938 36.958 35.151 33.497 30.577 30.047 29.533 29.034 28.550 28.080 27.624 27.180 26.749 26.330 25.921 25.524 25.137 24.760 24.392 24.034 23.684 23.343 23.010 22.684 22.367 86.445 78.432 71.633 65.829 60.829 56.481 52.670 49.304 46.312 43.635 41.228 39.052 37.076 35.273 33.624 30.713 30.185 29.673 29.177 28.695 28.227 27.773 27.332 26.903 26.486 26.080 25.685 25.300 24.925 24.560 24.204 23.856 23.518 23.187 22.864 22.548 86.507 78.524 71.733 65.932 60.932 56.584 52.772 49.406 46.413 43.738 41.332 39.158 37.184 35.385 33.740 30.837 30.310 29.800 29.306 28.826 28.360 27.907 27.468 27.041 26.626 26.222 25.829 25.446 25.073 24.710 24.356 24.011 23.674 23.346 23.025 22.712 86.568 78.613 71.831 66.032 61.032 56.683 52.870 49.503 46.510 43.835 41.430 39.257 37.286 35.489 33.846 30.950 30.425 29.916 29.423 28.945 28.480 28.029 27.592 27.166 26.752 26.350 25.959 25.578 25.207 24.846 24.494 24.150 23.816 23.489 23.170 22.859 86.626 78.699 71.925 66.129 61.128 56.778 52.964 49.596 46.603 43.927 41.523 39.351 37.381 35.586 33.946 31.055 30.531 30.023 29.531 29.054 28.591 28.141 27.705 27.281 26.868 26.467 26.078 25.698 25.329 24.969 24.618 24.276 23.943 23.618 23.301 22.991 99999.999 78.784 72.018 66.223 61.222 56.871 53.056 49.687 46.693 44.017 41.612 39.440 37.471 35.678 34.039 31.152 30.629 30.123 29.632 29.155 28.693 28.245 27.809 27.386 26.975 26.575 26.187 25.808 25.440 25.081 24.732 24.391 24.059 23.736 23.420 23.111 UO+2 UO+2 P-T:All Charge = 2. Radius(Å) = 5.00 Alk. = 0.000 Ref: Shock07 4 -0.250 1 -0.250 4 1.000 30 0.250 6 1.292 1.380 1.516 1.671 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.292 1.380 1.516 1.671 1.835 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.291 1.379 1.516 1.671 1.835 2.002 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.290 1.379 1.515 1.671 1.834 2.001 2.170 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.289 1.377 1.514 1.669 1.833 2.000 2.169 2.338 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.286 1.375 1.512 1.668 1.832 1.999 2.168 2.337 2.507 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.282 1.372 1.509 1.665 1.829 1.997 2.165 2.335 2.505 2.677 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.276 1.367 1.505 1.662 1.826 1.993 2.162 2.332 2.502 2.674 2.849 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.268 1.361 1.500 1.657 1.821 1.989 2.158 2.327 2.497 2.669 2.844 3.026 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.257 1.352 1.493 1.650 1.815 1.983 2.152 2.322 2.492 2.663 2.837 3.018 3.210 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.243 1.341 1.483 1.642 1.807 1.976 2.145 2.314 2.484 2.655 2.828 3.007 3.196 3.400 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.225 1.327 1.471 1.631 1.797 1.966 2.136 2.305 2.474 2.645 2.817 2.994 3.179 3.378 3.603 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.211 1.316 1.461 1.622 1.789 1.959 2.128 2.298 2.467 2.637 2.808 2.984 3.166 3.362 3.587 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.191 1.300 1.448 1.610 1.778 1.948 2.118 2.287 2.457 2.626 2.796 2.970 3.149 3.339 3.557 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.171 1.285 1.434 1.598 1.767 1.937 2.108 2.277 2.446 2.615 2.784 2.956 3.132 3.317 3.526 3.492 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.151 1.269 1.421 1.586 1.756 1.927 2.097 2.267 2.436 2.604 2.773 2.943 3.116 3.296 3.496 3.657 3.642 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.131 1.254 1.408 1.574 1.745 1.916 2.087 2.257 2.426 2.594 2.762 2.930 3.101 3.277 3.468 3.682 3.715 3.730 3.736 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.111 1.238 1.394 1.562 1.734 1.906 2.077 2.247 2.416 2.584 2.751 2.918 3.086 3.258 3.443 3.684 3.730 3.769 3.799 3.824 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.092 1.223 1.381 1.551 1.723 1.896 2.068 2.238 2.406 2.573 2.740 2.906 3.073 3.241 3.419 3.677 3.730 3.778 3.822 3.860 3.896 3.937 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.072 1.207 1.368 1.539 1.712 1.886 2.058 2.228 2.397 2.564 2.729 2.894 3.059 3.225 3.397 3.668 3.723 3.776 3.826 3.873 3.916 3.958 4.003 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.053 1.192 1.355 1.527 1.702 1.876 2.048 2.218 2.387 2.554 2.719 2.883 3.047 3.210 3.377 3.657 3.714 3.769 3.823 3.874 3.922 3.969 4.015 4.062 4.113 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.033 1.177 1.342 1.516 1.691 1.866 2.038 2.209 2.378 2.544 2.709 2.872 3.034 3.196 3.359 3.645 3.703 3.760 3.815 3.868 3.920 3.970 4.019 4.067 4.116 4.167 4.220 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.014 1.162 1.330 1.504 1.681 1.856 2.029 2.200 2.368 2.535 2.699 2.862 3.023 3.182 3.342 3.634 3.692 3.749 3.805 3.860 3.914 3.966 4.017 4.067 4.117 4.166 4.216 4.267 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.995 1.147 1.317 1.493 1.670 1.846 2.019 2.190 2.359 2.525 2.689 2.852 3.012 3.170 3.327 3.622 3.680 3.738 3.794 3.850 3.905 3.959 4.012 4.063 4.114 4.164 4.214 4.263 4.313 4.362 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.975 1.132 1.304 1.482 1.660 1.836 2.010 2.181 2.350 2.516 2.680 2.841 3.001 3.158 3.313 3.610 3.668 3.726 3.783 3.839 3.895 3.950 4.004 4.056 4.108 4.159 4.209 4.259 4.308 4.356 4.403 99999.999 99999.999 99999.999 99999.999 99999.999 0.956 1.117 1.291 1.470 1.649 1.826 2.001 2.172 2.341 2.507 2.670 2.832 2.990 3.147 3.301 3.598 3.656 3.714 3.771 3.828 3.884 3.939 3.994 4.047 4.100 4.152 4.203 4.253 4.302 4.350 4.397 4.443 4.487 99999.999 99999.999 99999.999 0.937 1.102 1.279 1.459 1.639 1.817 1.991 2.163 2.332 2.498 2.661 2.822 2.980 3.136 3.289 3.586 3.645 3.702 3.760 3.816 3.873 3.928 3.983 4.037 4.091 4.143 4.195 4.246 4.296 4.344 4.392 4.438 4.482 4.525 99999.999 99999.999 0.918 1.088 1.266 1.448 1.629 1.807 1.982 2.154 2.323 2.489 2.652 2.813 2.971 3.126 3.278 3.575 3.633 3.691 3.748 3.805 3.861 3.917 3.972 4.026 4.080 4.133 4.186 4.237 4.287 4.337 4.385 4.432 4.477 4.520 4.562 4.601 0.899 1.073 1.254 1.437 1.619 1.798 1.973 2.145 2.314 2.480 2.643 2.803 2.961 3.116 3.268 3.564 3.622 3.679 3.736 3.793 3.849 3.905 3.960 4.015 4.069 4.123 4.175 4.227 4.278 4.328 4.377 4.424 4.470 4.515 4.557 4.598 0.714 0.929 1.132 1.329 1.520 1.705 1.885 2.060 2.230 2.396 2.558 2.717 2.872 3.024 3.172 3.460 3.516 3.572 3.628 3.683 3.738 3.792 3.846 3.900 3.954 4.007 4.060 4.112 4.164 4.216 4.267 4.318 4.368 4.417 4.466 4.515 0.533 0.790 1.015 1.225 1.425 1.617 1.802 1.980 2.152 2.319 2.481 2.639 2.792 2.942 3.088 3.370 3.425 3.480 3.534 3.588 3.641 3.694 3.747 3.799 3.851 3.902 3.953 4.004 4.055 4.105 4.156 4.205 4.255 4.304 4.353 4.401 0.356 0.655 0.901 1.124 1.334 1.533 1.722 1.904 2.078 2.247 2.409 2.567 2.720 2.868 3.013 3.291 3.345 3.399 3.452 3.504 3.557 3.608 3.660 3.711 3.761 3.812 3.861 3.911 3.960 4.009 4.058 4.106 4.155 4.202 4.250 4.297 0.183 0.522 0.790 1.027 1.245 1.451 1.646 1.831 2.008 2.178 2.342 2.500 2.652 2.800 2.944 3.220 3.273 3.326 3.378 3.430 3.481 3.532 3.583 3.633 3.682 3.731 3.780 3.829 3.877 3.925 3.972 4.020 4.067 4.113 4.160 4.206 0.012 0.393 0.681 0.931 1.159 1.372 1.571 1.760 1.940 2.112 2.277 2.436 2.589 2.737 2.880 3.154 3.207 3.259 3.311 3.362 3.413 3.463 3.513 3.562 3.611 3.659 3.708 3.755 3.803 3.850 3.896 3.943 3.989 4.034 4.080 4.125 -0.157 0.265 0.574 0.838 1.075 1.294 1.499 1.692 1.875 2.049 2.216 2.376 2.529 2.677 2.820 3.093 3.145 3.197 3.249 3.299 3.350 3.400 3.449 3.498 3.546 3.594 3.641 3.688 3.735 3.781 3.827 3.873 3.918 3.963 4.008 4.053 -0.324 0.139 0.469 0.746 0.993 1.218 1.428 1.625 1.811 1.988 2.156 2.317 2.472 2.620 2.763 3.035 3.088 3.139 3.191 3.241 3.291 3.341 3.389 3.438 3.486 3.533 3.580 3.627 3.673 3.719 3.765 3.810 3.854 3.899 3.943 3.987 99999.999 0.014 0.366 0.656 0.911 1.144 1.359 1.560 1.750 1.929 2.099 2.261 2.417 2.566 2.709 2.981 3.033 3.085 3.136 3.186 3.236 3.285 3.334 3.382 3.430 3.477 3.524 3.570 3.616 3.661 3.707 3.751 3.796 3.840 3.883 3.927 UO+2 UO+2 P-T:All Charge = 2. Radius(Å) = 5.00 Alk. = 0.000 Ref: Shock07 2 -0.500 31 1.000 30 39.317 35.959 33.126 30.700 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.317 35.959 33.126 30.700 28.597 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.316 35.959 33.126 30.700 28.597 26.756 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.316 35.959 33.126 30.700 28.597 26.756 25.130 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.316 35.959 33.126 30.700 28.597 26.756 25.130 23.683 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.315 35.959 33.126 30.700 28.598 26.757 25.131 23.683 22.385 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.314 35.958 33.126 30.700 28.598 26.757 25.131 23.683 22.385 21.213 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.313 35.958 33.126 30.701 28.598 26.758 25.131 23.684 22.386 21.214 20.149 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.311 35.958 33.126 30.701 28.599 26.758 25.132 23.685 22.387 21.215 20.150 19.174 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.308 35.957 33.126 30.702 28.600 26.759 25.133 23.686 22.388 21.216 20.152 19.177 18.273 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.305 35.956 33.126 30.702 28.601 26.760 25.134 23.687 22.389 21.218 20.154 19.180 18.279 17.421 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.300 35.955 33.127 30.703 28.602 26.762 25.136 23.689 22.391 21.220 20.156 19.183 18.285 17.438 16.570 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.297 35.954 33.127 30.704 28.603 26.763 25.137 23.690 22.393 21.222 20.158 19.186 18.289 17.447 16.622 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.292 35.953 33.127 30.705 28.604 26.764 25.139 23.692 22.395 21.224 20.161 19.189 18.293 17.458 16.659 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.287 35.951 33.127 30.706 28.605 26.766 25.141 23.694 22.397 21.226 20.163 19.192 18.298 17.465 16.680 14.160 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.283 35.950 33.127 30.707 28.607 26.768 25.143 23.696 22.399 21.228 20.166 19.195 18.302 17.472 16.693 14.862 14.267 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.278 35.949 33.128 30.707 28.608 26.769 25.144 23.698 22.401 21.231 20.168 19.198 18.305 17.477 16.702 15.044 14.643 14.161 13.577 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.273 35.948 33.128 30.708 28.609 26.771 25.146 23.699 22.403 21.233 20.171 19.200 18.308 17.481 16.709 15.135 14.795 14.423 14.004 13.528 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.269 35.946 33.128 30.709 28.611 26.772 25.148 23.701 22.405 21.235 20.173 19.203 18.311 17.485 16.715 15.193 14.882 14.556 14.207 13.828 13.416 12.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.264 35.945 33.128 30.710 28.612 26.774 25.149 23.703 22.406 21.237 20.175 19.206 18.314 17.489 16.720 15.234 14.939 14.637 14.323 13.994 13.645 13.275 12.889 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.260 35.944 33.128 30.711 28.613 26.775 25.151 23.705 22.408 21.239 20.177 19.208 18.317 17.493 16.725 15.265 14.981 14.693 14.400 14.099 13.786 13.460 13.121 12.772 12.417 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.255 35.943 33.129 30.712 28.615 26.777 25.153 23.707 22.410 21.241 20.179 19.210 18.320 17.497 16.730 15.290 15.013 14.735 14.455 14.171 13.881 13.583 13.276 12.961 12.639 12.314 11.990 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.251 35.942 33.129 30.713 28.616 26.778 25.154 23.708 22.412 21.243 20.182 19.213 18.323 17.500 16.734 15.310 15.038 14.767 14.497 14.224 13.949 13.670 13.385 13.095 12.799 12.499 12.197 11.896 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.246 35.940 33.129 30.714 28.617 26.780 25.156 23.710 22.414 21.245 20.184 19.215 18.326 17.504 16.739 15.327 15.059 14.793 14.529 14.266 14.001 13.734 13.465 13.192 12.916 12.636 12.354 12.071 11.789 11.509 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.242 35.939 33.129 30.715 28.618 26.781 25.157 23.712 22.416 21.246 20.186 19.217 18.329 17.507 16.743 15.342 15.077 14.815 14.556 14.298 14.041 13.784 13.526 13.266 13.004 12.740 12.474 12.208 11.941 11.675 11.411 99999.999 99999.999 99999.999 99999.999 99999.999 39.237 35.938 33.129 30.716 28.620 26.783 25.159 23.713 22.417 21.248 20.188 19.220 18.331 17.511 16.748 15.354 15.092 14.834 14.578 14.325 14.074 13.824 13.574 13.324 13.073 12.821 12.568 12.315 12.061 11.807 11.556 11.306 11.059 99999.999 99999.999 99999.999 39.233 35.937 33.130 30.716 28.621 26.784 25.161 23.715 22.419 21.250 20.190 19.222 18.334 17.514 16.752 15.366 15.105 14.849 14.597 14.348 14.101 13.857 13.613 13.370 13.128 12.885 12.643 12.400 12.157 11.915 11.673 11.434 11.196 10.961 99999.999 99999.999 39.229 35.936 33.130 30.717 28.622 26.786 25.162 23.717 22.421 21.252 20.192 19.224 18.337 17.518 16.757 15.375 15.117 14.863 14.613 14.367 14.124 13.884 13.645 13.408 13.173 12.937 12.703 12.469 12.235 12.002 11.770 11.539 11.310 11.084 10.859 10.638 39.224 35.935 33.130 30.718 28.623 26.787 25.164 23.718 22.423 21.254 20.194 19.226 18.339 17.521 16.761 15.384 15.127 14.875 14.628 14.384 14.144 13.907 13.673 13.440 13.210 12.980 12.752 12.525 12.299 12.074 11.850 11.627 11.406 11.187 10.970 10.755 39.183 35.924 33.132 30.727 28.635 26.801 25.179 23.734 22.439 21.271 20.212 19.246 18.362 17.547 16.794 15.442 15.193 14.949 14.712 14.480 14.253 14.032 13.815 13.602 13.394 13.190 12.989 12.792 12.598 12.408 12.221 12.036 11.855 11.676 11.499 11.326 39.143 35.914 33.134 30.735 28.647 26.815 25.194 23.750 22.455 21.287 20.228 19.263 18.380 17.568 16.817 15.475 15.228 14.988 14.754 14.526 14.303 14.086 13.874 13.668 13.465 13.268 13.074 12.885 12.700 12.519 12.341 12.167 11.996 11.829 11.665 11.504 39.105 35.904 33.136 30.743 28.658 26.828 25.208 23.764 22.470 21.302 20.244 19.279 18.396 17.585 16.836 15.498 15.252 15.014 14.781 14.555 14.334 14.119 13.910 13.705 13.506 13.311 13.120 12.934 12.752 12.575 12.401 12.231 12.064 11.901 11.742 11.585 39.068 35.895 33.138 30.751 28.669 26.840 25.221 23.779 22.484 21.317 20.258 19.294 18.411 17.600 16.852 15.516 15.272 15.033 14.802 14.576 14.357 14.143 13.934 13.731 13.533 13.339 13.150 12.966 12.786 12.609 12.437 12.269 12.105 11.944 11.786 11.632 39.033 35.886 33.140 30.758 28.680 26.852 25.235 23.792 22.498 21.331 20.273 19.308 18.425 17.615 16.867 15.532 15.288 15.050 14.819 14.594 14.375 14.162 13.954 13.751 13.553 13.361 13.172 12.989 12.809 12.634 12.463 12.296 12.132 11.972 11.816 11.663 38.998 35.877 33.142 30.766 28.690 26.864 25.248 23.806 22.512 21.345 20.286 19.322 18.439 17.628 16.881 15.547 15.302 15.065 14.834 14.609 14.391 14.178 13.970 13.768 13.570 13.378 13.190 13.007 12.828 12.654 12.483 12.316 12.153 11.994 11.838 11.686 38.964 35.868 33.144 30.773 28.700 26.876 25.260 23.819 22.526 21.358 20.300 19.335 18.453 17.642 16.894 15.560 15.316 15.079 14.848 14.623 14.405 14.192 13.984 13.782 13.585 13.393 13.206 13.023 12.844 12.670 12.499 12.333 12.170 12.011 11.856 11.704 99999.999 35.860 33.146 30.780 28.710 26.888 25.273 23.832 22.539 21.372 20.313 19.348 18.466 17.655 16.907 15.573 15.329 15.091 14.861 14.636 14.418 14.205 13.997 13.795 13.599 13.407 13.219 13.036 12.858 12.684 12.514 12.347 12.185 12.026 11.871 11.719 UOH+2 U(OH)+2 P-T:All Charge = 2. Radius(Å) = 5.00 Alk. = 0.000 Ref: Shock07 5 -0.375 1 -0.375 4 1.000 30 0.375 6 0.500 2 21.454 19.372 17.716 16.368 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.454 19.372 17.716 16.368 15.253 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.453 19.371 17.716 16.368 15.253 14.321 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.452 19.371 17.716 16.368 15.253 14.321 13.535 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.451 19.370 17.715 16.367 15.252 14.320 13.535 12.870 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.449 19.369 17.714 16.366 15.251 14.319 13.534 12.869 12.304 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.446 19.366 17.712 16.365 15.250 14.318 13.533 12.868 12.303 11.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.441 19.363 17.710 16.363 15.248 14.317 13.532 12.866 12.301 11.821 11.416 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.435 19.359 17.707 16.360 15.246 14.314 13.529 12.864 12.299 11.819 11.413 11.076 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.427 19.354 17.702 16.356 15.243 14.311 13.526 12.861 12.296 11.815 11.409 11.070 10.801 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.416 19.346 17.697 16.352 15.238 14.307 13.523 12.858 12.292 11.811 11.404 11.063 10.789 10.605 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.402 19.337 17.689 16.345 15.233 14.302 13.518 12.853 12.287 11.805 11.397 11.054 10.776 10.574 10.539 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.391 19.329 17.683 16.341 15.229 14.298 13.514 12.849 12.283 11.801 11.392 11.048 10.767 10.556 10.460 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.375 19.319 17.675 16.334 15.222 14.293 13.509 12.844 12.278 11.795 11.385 11.040 10.755 10.535 10.398 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.360 19.308 17.667 16.327 15.216 14.287 13.503 12.838 12.272 11.789 11.379 11.032 10.745 10.517 10.359 11.663 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.344 19.297 17.659 16.320 15.210 14.281 13.498 12.833 12.267 11.784 11.372 11.025 10.735 10.503 10.332 10.657 11.099 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.328 19.287 17.650 16.313 15.204 14.276 13.493 12.828 12.261 11.778 11.366 11.017 10.726 10.490 10.310 10.396 10.560 10.855 11.320 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.313 19.276 17.642 16.306 15.198 14.270 13.487 12.823 12.256 11.773 11.360 11.010 10.717 10.478 10.293 10.262 10.339 10.476 10.696 11.014 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.297 19.265 17.634 16.299 15.192 14.265 13.482 12.817 12.251 11.767 11.354 11.004 10.709 10.468 10.278 10.175 10.211 10.283 10.400 10.575 10.813 11.105 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.281 19.255 17.626 16.292 15.186 14.259 13.477 12.812 12.246 11.762 11.349 10.997 10.701 10.458 10.264 10.112 10.125 10.162 10.229 10.331 10.475 10.662 10.889 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.266 19.244 17.618 16.285 15.180 14.254 13.472 12.807 12.241 11.757 11.343 10.991 10.694 10.448 10.252 10.063 10.062 10.077 10.114 10.176 10.266 10.388 10.541 10.724 10.927 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.250 19.234 17.609 16.278 15.174 14.248 13.466 12.802 12.236 11.751 11.337 10.984 10.687 10.439 10.240 10.024 10.012 10.013 10.031 10.067 10.125 10.205 10.310 10.439 10.590 10.759 10.938 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.234 19.223 17.601 16.271 15.168 14.243 13.461 12.797 12.231 11.746 11.332 10.978 10.679 10.431 10.229 9.991 9.971 9.963 9.967 9.986 10.022 10.075 10.147 10.239 10.350 10.479 10.620 10.772 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.219 19.213 17.593 16.265 15.162 14.237 13.456 12.792 12.226 11.741 11.326 10.972 10.672 10.422 10.218 9.962 9.937 9.921 9.916 9.923 9.943 9.977 10.027 10.092 10.174 10.271 10.382 10.504 10.634 10.771 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.203 19.202 17.585 16.258 15.156 14.232 13.451 12.787 12.221 11.736 11.321 10.966 10.666 10.414 10.208 9.938 9.907 9.885 9.873 9.871 9.880 9.901 9.934 9.980 10.040 10.113 10.199 10.296 10.402 10.516 10.636 99999.999 99999.999 99999.999 99999.999 99999.999 21.188 19.192 17.577 16.251 15.150 14.226 13.446 12.782 12.216 11.731 11.316 10.961 10.659 10.406 10.198 9.916 9.881 9.855 9.837 9.828 9.828 9.839 9.860 9.892 9.936 9.990 10.056 10.133 10.219 10.313 10.413 10.519 10.628 99999.999 99999.999 99999.999 21.172 19.181 17.568 16.244 15.144 14.221 13.441 12.777 12.211 11.726 11.310 10.955 10.652 10.398 10.188 9.896 9.859 9.829 9.806 9.791 9.785 9.788 9.799 9.820 9.851 9.892 9.943 10.003 10.072 10.149 10.232 10.322 10.416 10.514 99999.999 99999.999 21.156 19.170 17.560 16.237 15.138 14.215 13.435 12.772 12.206 11.721 11.305 10.949 10.646 10.390 10.178 9.878 9.838 9.805 9.779 9.759 9.748 9.744 9.748 9.761 9.782 9.812 9.850 9.897 9.952 10.015 10.084 10.159 10.240 10.324 10.412 10.503 21.141 19.160 17.552 16.230 15.132 14.210 13.430 12.768 12.201 11.716 11.300 10.944 10.640 10.383 10.169 9.862 9.820 9.784 9.754 9.731 9.715 9.706 9.705 9.710 9.724 9.745 9.773 9.810 9.853 9.904 9.961 10.024 10.092 10.165 10.241 10.321 20.986 19.055 17.471 16.163 15.073 14.156 13.380 12.720 12.155 11.670 11.252 10.893 10.584 10.320 10.095 9.748 9.694 9.644 9.599 9.558 9.521 9.489 9.461 9.436 9.416 9.400 9.387 9.378 9.373 9.371 9.373 9.378 9.387 9.398 9.413 9.430 20.832 18.951 17.391 16.096 15.014 14.103 13.332 12.674 12.110 11.626 11.208 10.848 10.537 10.269 10.039 9.675 9.616 9.561 9.510 9.463 9.419 9.380 9.343 9.310 9.280 9.253 9.229 9.207 9.189 9.173 9.160 9.149 9.141 9.134 9.130 9.128 20.679 18.848 17.311 16.030 14.957 14.052 13.284 12.629 12.067 11.584 11.167 10.807 10.495 10.225 9.992 9.619 9.558 9.500 9.447 9.396 9.350 9.306 9.266 9.228 9.194 9.162 9.133 9.107 9.083 9.061 9.041 9.024 9.009 8.996 8.984 8.974 20.527 18.746 17.232 15.964 14.900 14.001 13.237 12.585 12.026 11.544 11.128 10.767 10.455 10.185 9.950 9.573 9.510 9.451 9.395 9.344 9.295 9.249 9.207 9.167 9.131 9.096 9.065 9.035 9.008 8.984 8.961 8.940 8.922 8.905 8.890 8.876 20.376 18.644 17.154 15.900 14.844 13.951 13.191 12.542 11.985 11.505 11.090 10.730 10.418 10.147 9.912 9.532 9.468 9.408 9.352 9.299 9.249 9.202 9.159 9.118 9.079 9.044 9.011 8.980 8.951 8.924 8.900 8.877 8.857 8.838 8.821 8.805 20.225 18.543 17.076 15.835 14.788 13.901 13.146 12.500 11.945 11.467 11.053 10.694 10.382 10.111 9.876 9.494 9.430 9.370 9.313 9.259 9.209 9.161 9.117 9.075 9.036 8.999 8.965 8.933 8.903 8.876 8.850 8.826 8.805 8.785 8.766 8.749 20.074 18.442 16.999 15.772 14.733 13.852 13.101 12.459 11.906 11.429 11.017 10.659 10.348 10.077 9.842 9.459 9.395 9.334 9.277 9.223 9.172 9.124 9.079 9.037 8.997 8.960 8.925 8.893 8.862 8.834 8.808 8.783 8.760 8.740 8.720 8.703 99999.999 18.342 16.922 15.709 14.679 13.804 13.058 12.418 11.868 11.393 10.982 10.625 10.315 10.045 9.810 9.427 9.362 9.301 9.244 9.190 9.139 9.090 9.045 9.002 8.962 8.925 8.889 8.856 8.826 8.797 8.770 8.745 8.722 8.700 8.681 8.662 UOH+2 U(OH)+2 P-T:All Charge = 2. Radius(Å) = 5.00 Alk. = 0.000 Ref: Shock07 3 -0.750 31 1.000 30 0.500 2 78.491 71.240 65.131 59.911 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.491 71.240 65.131 59.911 55.396 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.491 71.241 65.132 59.911 55.397 51.453 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.491 71.241 65.132 59.912 55.397 51.453 47.976 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.492 71.242 65.133 59.913 55.399 51.454 47.977 44.886 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.493 71.244 65.135 59.915 55.400 51.456 47.979 44.888 42.120 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.494 71.246 65.137 59.917 55.403 51.459 47.981 44.891 42.123 39.627 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.497 71.249 65.141 59.921 55.407 51.463 47.985 44.895 42.127 39.632 37.365 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.499 71.254 65.146 59.926 55.412 51.468 47.991 44.900 42.133 39.638 37.372 35.298 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.503 71.260 65.153 59.933 55.419 51.475 47.998 44.907 42.140 39.646 37.380 35.308 33.396 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.509 71.268 65.162 59.942 55.428 51.484 48.007 44.916 42.150 39.656 37.392 35.322 33.413 31.636 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.515 71.278 65.173 59.954 55.440 51.496 48.019 44.928 42.162 39.669 37.406 35.339 33.434 31.663 29.989 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.520 71.286 65.182 59.963 55.449 51.505 48.028 44.938 42.172 39.679 37.417 35.351 33.450 31.684 30.012 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.528 71.297 65.194 59.976 55.462 51.517 48.040 44.951 42.185 39.693 37.432 35.369 33.472 31.713 30.051 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.535 71.308 65.206 59.988 55.474 51.530 48.053 44.963 42.198 39.707 37.447 35.386 33.493 31.740 30.090 27.666 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.542 71.319 65.218 60.001 55.487 51.543 48.066 44.976 42.211 39.720 37.462 35.403 33.513 31.766 30.127 27.465 27.037 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.549 71.330 65.230 60.013 55.499 51.555 48.078 44.988 42.224 39.733 37.476 35.419 33.532 31.790 30.161 27.438 26.952 26.502 26.082 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.556 71.340 65.242 60.025 55.511 51.567 48.090 45.001 42.236 39.746 37.490 35.434 33.550 31.813 30.193 27.439 26.936 26.457 26.003 25.570 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.563 71.351 65.254 60.037 55.523 51.579 48.102 45.013 42.249 39.759 37.504 35.449 33.568 31.834 30.223 27.449 26.939 26.448 25.978 25.526 25.092 24.667 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.570 71.362 65.265 60.049 55.535 51.591 48.114 45.025 42.261 39.772 37.517 35.464 33.584 31.854 30.250 27.462 26.949 26.453 25.974 25.513 25.068 24.637 24.217 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.576 71.372 65.277 60.061 55.547 51.603 48.126 45.037 42.273 39.784 37.530 35.478 33.600 31.873 30.274 27.476 26.962 26.463 25.981 25.514 25.062 24.625 24.201 23.788 23.383 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.583 71.382 65.289 60.073 55.559 51.615 48.138 45.048 42.285 39.796 37.543 35.492 33.615 31.891 30.297 27.491 26.976 26.476 25.991 25.521 25.066 24.624 24.196 23.780 23.375 22.980 22.593 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.590 71.393 65.300 60.084 55.571 51.626 48.149 45.060 42.296 39.808 37.555 35.505 33.630 31.907 30.317 27.506 26.990 26.490 26.004 25.532 25.075 24.630 24.199 23.780 23.373 22.977 22.591 22.215 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.596 71.403 65.311 60.096 55.582 51.638 48.161 45.072 42.308 39.820 37.568 35.518 33.644 31.923 30.336 27.521 27.005 26.505 26.018 25.546 25.086 24.640 24.207 23.786 23.377 22.979 22.592 22.216 21.849 21.493 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.603 71.413 65.322 60.107 55.594 51.649 48.172 45.083 42.319 39.832 37.580 35.530 33.657 31.938 30.353 27.536 27.020 26.519 26.033 25.560 25.100 24.653 24.218 23.795 23.385 22.985 22.597 22.219 21.852 21.495 21.148 99999.999 99999.999 99999.999 99999.999 99999.999 78.609 71.423 65.333 60.119 55.605 51.661 48.183 45.094 42.331 39.843 37.592 35.543 33.670 31.952 30.368 27.550 27.035 26.534 26.047 25.574 25.114 24.666 24.231 23.807 23.395 22.994 22.604 22.225 21.857 21.498 21.150 20.813 20.486 99999.999 99999.999 99999.999 78.616 71.433 65.344 60.130 55.617 51.672 48.194 45.105 42.342 39.855 37.603 35.555 33.683 31.965 30.383 27.565 27.050 26.549 26.062 25.589 25.128 24.680 24.244 23.820 23.407 23.005 22.614 22.234 21.864 21.504 21.155 20.816 20.487 20.168 99999.999 99999.999 78.622 71.443 65.355 60.141 55.628 51.683 48.205 45.116 42.353 39.866 37.615 35.567 33.695 31.978 30.396 27.579 27.064 26.563 26.077 25.603 25.143 24.695 24.258 23.834 23.420 23.018 22.626 22.245 21.874 21.513 21.162 20.821 20.490 20.169 19.858 19.558 78.629 71.453 65.366 60.153 55.639 51.694 48.216 45.127 42.364 39.877 37.626 35.578 33.707 31.991 30.409 27.593 27.078 26.578 26.091 25.618 25.158 24.709 24.273 23.848 23.434 23.031 22.639 22.257 21.885 21.523 21.171 20.828 20.496 20.173 19.860 19.556 78.690 71.547 65.471 60.260 55.746 51.800 48.321 45.231 42.468 39.982 37.733 35.687 33.819 32.106 30.529 27.721 27.208 26.710 26.225 25.754 25.295 24.848 24.414 23.990 23.577 23.174 22.781 22.398 22.025 21.660 21.304 20.956 20.617 20.286 19.962 19.647 78.748 71.637 65.570 60.361 55.847 51.900 48.419 45.328 42.564 40.078 37.829 35.785 33.918 32.207 30.633 27.831 27.320 26.823 26.340 25.870 25.413 24.968 24.535 24.113 23.702 23.301 22.910 22.529 22.156 21.793 21.438 21.092 20.753 20.422 20.099 19.782 78.803 71.722 65.664 60.458 55.943 51.994 48.512 45.419 42.654 40.167 37.919 35.875 34.009 32.299 30.726 27.929 27.418 26.922 26.440 25.972 25.516 25.072 24.641 24.220 23.810 23.411 23.021 22.641 22.271 21.909 21.556 21.210 20.873 20.544 20.221 19.906 78.855 71.804 65.755 60.550 56.035 52.085 48.601 45.506 42.740 40.252 38.003 35.959 34.093 32.384 30.812 28.018 27.508 27.012 26.531 26.063 25.608 25.166 24.735 24.315 23.906 23.508 23.120 22.741 22.371 22.011 21.659 21.315 20.979 20.650 20.329 20.015 78.907 71.883 65.843 60.640 56.124 52.172 48.686 45.590 42.822 40.333 38.082 36.038 34.172 32.463 30.892 28.099 27.590 27.095 26.614 26.147 25.692 25.250 24.820 24.401 23.993 23.595 23.208 22.830 22.461 22.101 21.750 21.407 21.072 20.745 20.425 20.112 78.957 71.961 65.928 60.727 56.211 52.257 48.769 45.671 42.901 40.410 38.158 36.113 34.247 32.538 30.967 28.175 27.666 27.171 26.691 26.224 25.770 25.328 24.899 24.480 24.073 23.676 23.289 22.911 22.543 22.184 21.833 21.491 21.157 20.830 20.511 20.199 79.006 72.037 66.012 60.812 56.295 52.339 48.849 45.749 42.977 40.485 38.232 36.186 34.319 32.610 31.038 28.247 27.738 27.243 26.763 26.296 25.843 25.401 24.972 24.554 24.146 23.750 23.363 22.986 22.619 22.260 21.910 21.568 21.234 20.908 20.590 20.278 99999.999 72.111 66.093 60.895 56.377 52.420 48.928 45.825 43.052 40.558 38.303 36.256 34.388 32.678 31.106 28.315 27.806 27.311 26.831 26.365 25.911 25.470 25.040 24.622 24.216 23.819 23.433 23.056 22.689 22.330 21.981 21.639 21.306 20.980 20.662 20.351 U(OH)+3 U(OH)+3 P-T:All Charge = 3. Radius(Å) = 8.00 Alk. = 0.000 Ref: Shock07 4 0.750 1 1.000 30 0.250 6 -0.250 4 -0.635 -0.086 0.382 0.782 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.635 -0.086 0.382 0.782 1.129 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.636 -0.086 0.381 0.782 1.128 1.434 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.636 -0.087 0.381 0.781 1.128 1.434 1.708 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.637 -0.088 0.380 0.781 1.127 1.433 1.707 1.957 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.639 -0.089 0.379 0.780 1.127 1.432 1.706 1.956 2.190 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.642 -0.091 0.378 0.778 1.125 1.431 1.704 1.954 2.188 2.411 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.646 -0.093 0.376 0.776 1.123 1.429 1.702 1.952 2.185 2.407 2.628 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.651 -0.097 0.373 0.774 1.121 1.426 1.699 1.948 2.181 2.402 2.622 2.848 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.658 -0.102 0.369 0.770 1.117 1.422 1.695 1.944 2.175 2.396 2.613 2.836 3.072 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.667 -0.108 0.364 0.766 1.113 1.417 1.690 1.938 2.168 2.387 2.602 2.821 3.051 3.295 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.679 -0.116 0.357 0.760 1.107 1.411 1.683 1.930 2.159 2.376 2.588 2.802 3.025 3.265 3.502 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.688 -0.123 0.352 0.755 1.102 1.407 1.678 1.924 2.152 2.368 2.577 2.787 3.005 3.240 3.508 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.702 -0.132 0.345 0.749 1.096 1.400 1.671 1.916 2.143 2.356 2.563 2.768 2.978 3.202 3.473 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.715 -0.140 0.338 0.742 1.090 1.394 1.664 1.908 2.134 2.345 2.549 2.749 2.952 3.166 3.425 2.042 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.728 -0.149 0.330 0.736 1.084 1.387 1.657 1.900 2.125 2.334 2.535 2.731 2.928 3.131 3.373 2.950 2.573 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.741 -0.158 0.323 0.729 1.077 1.381 1.650 1.893 2.116 2.324 2.522 2.714 2.904 3.099 3.323 3.155 3.030 2.802 2.482 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.754 -0.167 0.316 0.723 1.071 1.375 1.643 1.885 2.107 2.314 2.510 2.698 2.883 3.068 3.276 3.236 3.190 3.097 2.944 2.741 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.767 -0.176 0.309 0.717 1.065 1.369 1.637 1.878 2.099 2.304 2.498 2.683 2.862 3.040 3.232 3.274 3.263 3.226 3.156 3.049 2.911 2.769 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.780 -0.185 0.302 0.710 1.059 1.363 1.630 1.871 2.091 2.294 2.486 2.668 2.843 3.014 3.193 3.292 3.299 3.291 3.263 3.210 3.132 3.036 2.933 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.793 -0.193 0.295 0.704 1.053 1.357 1.624 1.864 2.083 2.285 2.475 2.655 2.826 2.991 3.158 3.298 3.317 3.325 3.320 3.298 3.259 3.203 3.133 3.057 2.986 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.805 -0.202 0.288 0.698 1.048 1.351 1.618 1.857 2.075 2.276 2.464 2.641 2.809 2.969 3.127 3.298 3.324 3.342 3.351 3.349 3.333 3.305 3.263 3.212 3.156 3.100 3.049 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.818 -0.211 0.281 0.692 1.042 1.345 1.611 1.850 2.067 2.267 2.454 2.629 2.794 2.950 3.100 3.294 3.324 3.349 3.367 3.377 3.377 3.368 3.347 3.317 3.279 3.236 3.192 3.149 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.831 -0.219 0.274 0.686 1.036 1.339 1.605 1.843 2.059 2.258 2.444 2.617 2.780 2.933 3.077 3.286 3.321 3.350 3.375 3.392 3.403 3.406 3.401 3.387 3.365 3.337 3.304 3.269 3.232 3.195 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.843 -0.228 0.268 0.680 1.030 1.333 1.599 1.837 2.052 2.250 2.434 2.606 2.767 2.917 3.057 3.278 3.314 3.347 3.376 3.399 3.417 3.429 3.434 3.432 3.424 3.408 3.388 3.362 3.333 3.302 3.268 99999.999 99999.999 99999.999 99999.999 99999.999 -0.856 -0.236 0.261 0.674 1.025 1.328 1.593 1.830 2.045 2.242 2.424 2.595 2.754 2.902 3.040 3.267 3.306 3.341 3.373 3.400 3.423 3.442 3.455 3.462 3.463 3.458 3.448 3.433 3.413 3.389 3.361 3.331 3.297 99999.999 99999.999 99999.999 -0.869 -0.245 0.254 0.668 1.019 1.322 1.588 1.824 2.038 2.234 2.415 2.584 2.742 2.889 3.025 3.256 3.296 3.333 3.367 3.397 3.424 3.447 3.466 3.479 3.488 3.492 3.490 3.484 3.473 3.457 3.437 3.414 3.386 3.354 99999.999 99999.999 -0.881 -0.253 0.247 0.662 1.014 1.317 1.582 1.818 2.031 2.226 2.406 2.574 2.731 2.876 3.011 3.245 3.285 3.324 3.359 3.392 3.422 3.448 3.471 3.489 3.504 3.514 3.520 3.521 3.517 3.509 3.497 3.481 3.460 3.435 3.405 3.371 -0.894 -0.262 0.241 0.656 1.008 1.311 1.576 1.812 2.024 2.218 2.398 2.564 2.720 2.865 2.998 3.233 3.274 3.313 3.350 3.384 3.416 3.445 3.471 3.493 3.512 3.528 3.539 3.546 3.549 3.548 3.542 3.533 3.519 3.501 3.479 3.452 -1.016 -0.344 0.176 0.600 0.956 1.259 1.523 1.754 1.961 2.148 2.319 2.476 2.622 2.758 2.884 3.110 3.152 3.192 3.231 3.269 3.307 3.343 3.378 3.412 3.445 3.477 3.508 3.537 3.566 3.593 3.618 3.643 3.665 3.687 3.706 3.724 -1.135 -0.424 0.114 0.547 0.906 1.212 1.474 1.704 1.907 2.088 2.252 2.403 2.541 2.668 2.786 2.999 3.038 3.076 3.113 3.150 3.185 3.220 3.254 3.288 3.320 3.352 3.384 3.415 3.445 3.475 3.505 3.534 3.562 3.590 3.617 3.644 -1.252 -0.501 0.054 0.495 0.860 1.167 1.430 1.658 1.858 2.036 2.195 2.339 2.471 2.592 2.703 2.902 2.939 2.975 3.009 3.043 3.076 3.109 3.140 3.172 3.202 3.232 3.262 3.291 3.320 3.348 3.376 3.404 3.431 3.459 3.486 3.513 -1.366 -0.576 -0.005 0.446 0.816 1.125 1.389 1.616 1.814 1.989 2.144 2.284 2.410 2.526 2.631 2.819 2.853 2.886 2.918 2.950 2.981 3.011 3.040 3.069 3.097 3.125 3.152 3.179 3.205 3.231 3.257 3.283 3.308 3.333 3.358 3.383 -1.479 -0.650 -0.061 0.399 0.773 1.085 1.350 1.577 1.774 1.946 2.099 2.235 2.357 2.467 2.568 2.745 2.777 2.808 2.839 2.868 2.897 2.924 2.952 2.978 3.004 3.030 3.055 3.079 3.104 3.127 3.151 3.174 3.198 3.221 3.243 3.266 -1.590 -0.723 -0.116 0.353 0.732 1.047 1.313 1.540 1.736 1.907 2.057 2.190 2.309 2.416 2.512 2.680 2.710 2.740 2.768 2.795 2.822 2.848 2.873 2.898 2.922 2.946 2.969 2.991 3.014 3.036 3.057 3.078 3.100 3.120 3.141 3.162 -1.701 -0.795 -0.171 0.308 0.693 1.011 1.278 1.505 1.701 1.871 2.019 2.150 2.266 2.369 2.462 2.622 2.651 2.678 2.705 2.731 2.756 2.780 2.804 2.827 2.849 2.871 2.893 2.913 2.934 2.954 2.974 2.993 3.013 3.032 3.051 3.069 99999.999 -0.867 -0.224 0.264 0.654 0.975 1.244 1.472 1.668 1.837 1.984 2.113 2.226 2.327 2.416 2.570 2.597 2.623 2.649 2.673 2.697 2.720 2.742 2.763 2.784 2.805 2.825 2.844 2.863 2.882 2.900 2.918 2.935 2.953 2.970 2.987 U(OH)+3 U(OH)+3 P-T:All Charge = 3. Radius(Å) = 8.00 Alk. = 0.000 Ref: Shock07 3 1.000 1 1.000 30 -0.500 31 37.389 34.493 31.991 29.810 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.389 34.493 31.991 29.810 27.891 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.389 34.493 31.992 29.810 27.891 26.188 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.389 34.494 31.992 29.811 27.891 26.189 24.668 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.390 34.494 31.992 29.811 27.892 26.189 24.668 23.302 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.390 34.495 31.993 29.812 27.893 26.190 24.669 23.302 22.067 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.390 34.496 31.995 29.813 27.894 26.191 24.670 23.303 22.068 20.947 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.391 34.497 31.997 29.815 27.896 26.193 24.671 23.304 22.069 20.948 19.928 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.392 34.500 31.999 29.818 27.898 26.195 24.673 23.306 22.070 20.948 19.928 18.996 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.393 34.503 32.003 29.821 27.902 26.198 24.676 23.308 22.071 20.949 19.927 18.995 18.135 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.394 34.506 32.007 29.826 27.906 26.202 24.679 23.310 22.073 20.950 19.927 18.993 18.134 17.316 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.396 34.511 32.013 29.832 27.912 26.207 24.684 23.314 22.076 20.952 19.927 18.991 18.131 17.324 16.468 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.398 34.515 32.017 29.837 27.916 26.211 24.687 23.317 22.078 20.953 19.927 18.989 18.128 17.325 16.543 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.400 34.521 32.024 29.843 27.922 26.217 24.692 23.321 22.081 20.955 19.927 18.987 18.123 17.321 16.575 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.402 34.526 32.030 29.850 27.928 26.222 24.697 23.325 22.084 20.957 19.928 18.985 18.118 17.315 16.579 12.711 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.404 34.532 32.037 29.856 27.935 26.228 24.702 23.329 22.087 20.959 19.928 18.983 18.113 17.307 16.570 14.154 13.198 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.406 34.537 32.043 29.863 27.941 26.234 24.707 23.333 22.091 20.961 19.929 18.982 18.108 17.299 16.557 14.517 13.958 13.233 12.323 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.408 34.542 32.049 29.869 27.947 26.239 24.712 23.337 22.094 20.963 19.930 18.981 18.105 17.291 16.543 14.688 14.255 13.751 13.149 12.445 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.410 34.548 32.056 29.875 27.953 26.245 24.717 23.342 22.097 20.965 19.931 18.980 18.101 17.284 16.529 14.790 14.415 14.003 13.541 13.016 12.431 11.810 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.413 34.553 32.062 29.882 27.959 26.250 24.722 23.346 22.100 20.968 19.932 18.979 18.099 17.279 16.517 14.858 14.515 14.152 13.760 13.331 12.861 12.352 11.819 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.415 34.558 32.068 29.888 27.965 26.256 24.727 23.350 22.104 20.970 19.933 18.979 18.097 17.274 16.506 14.906 14.584 14.249 13.897 13.524 13.123 12.694 12.239 11.767 11.290 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.417 34.564 32.074 29.894 27.971 26.262 24.732 23.354 22.107 20.973 19.934 18.979 18.095 17.270 16.498 14.942 14.633 14.317 13.991 13.651 13.294 12.918 12.521 12.106 11.679 11.248 10.820 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.419 34.569 32.080 29.901 27.977 26.267 24.737 23.359 22.111 20.975 19.936 18.980 18.094 17.268 16.492 14.970 14.671 14.368 14.059 13.741 13.413 13.071 12.715 12.344 11.961 11.569 11.173 10.777 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.421 34.574 32.087 29.907 27.983 26.273 24.742 23.363 22.114 20.978 19.938 18.981 18.094 17.266 16.489 14.992 14.700 14.406 14.109 13.808 13.499 13.181 12.854 12.516 12.167 11.809 11.445 11.077 10.708 10.343 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.423 34.579 32.093 29.913 27.989 26.278 24.747 23.367 22.118 20.980 19.940 18.982 18.094 17.266 16.487 15.009 14.723 14.436 14.149 13.858 13.564 13.264 12.957 12.642 12.320 11.990 11.653 11.311 10.966 10.620 10.276 99999.999 99999.999 99999.999 99999.999 99999.999 37.425 34.585 32.099 29.919 27.995 26.284 24.752 23.372 22.121 20.983 19.942 18.983 18.095 17.266 16.487 15.024 14.742 14.460 14.179 13.898 13.614 13.326 13.035 12.738 12.436 12.127 11.813 11.494 11.171 10.846 10.520 10.193 9.868 99999.999 99999.999 99999.999 37.427 34.590 32.105 29.926 28.001 26.290 24.757 23.376 22.125 20.986 19.944 18.984 18.096 17.267 16.488 15.036 14.757 14.480 14.204 13.929 13.653 13.376 13.096 12.813 12.525 12.234 11.938 11.638 11.334 11.028 10.719 10.410 10.100 9.790 99999.999 99999.999 37.430 34.595 32.111 29.932 28.007 26.295 24.762 23.380 22.129 20.989 19.946 18.986 18.097 17.268 16.490 15.045 14.769 14.496 14.225 13.954 13.685 13.415 13.144 12.871 12.596 12.318 12.037 11.752 11.465 11.175 10.882 10.588 10.293 9.998 9.703 9.408 37.432 34.600 32.117 29.938 28.013 26.301 24.767 23.385 22.132 20.992 19.948 18.988 18.098 17.270 16.492 15.054 14.780 14.509 14.241 13.975 13.711 13.447 13.183 12.918 12.653 12.385 12.116 11.844 11.570 11.294 11.016 10.736 10.455 10.173 9.891 9.609 37.453 34.651 32.176 29.998 28.071 26.355 24.817 23.429 22.170 21.023 19.972 19.006 18.112 17.282 16.506 15.092 14.828 14.569 14.316 14.067 13.823 13.583 13.347 13.114 12.885 12.660 12.437 12.217 12.000 11.785 11.572 11.361 11.152 10.945 10.739 10.535 37.475 34.700 32.233 30.057 28.128 26.409 24.866 23.473 22.209 21.056 20.000 19.027 18.128 17.294 16.516 15.103 14.841 14.584 14.333 14.088 13.848 13.612 13.382 13.156 12.935 12.718 12.505 12.296 12.090 11.889 11.690 11.495 11.304 11.115 10.929 10.747 37.497 34.748 32.289 30.114 28.184 26.462 24.916 23.519 22.250 21.091 20.029 19.051 18.147 17.308 16.526 15.109 14.846 14.589 14.339 14.094 13.854 13.620 13.390 13.166 12.946 12.731 12.521 12.314 12.112 11.913 11.719 11.528 11.341 11.158 10.977 10.801 37.520 34.796 32.344 30.170 28.239 26.514 24.965 23.564 22.291 21.128 20.061 19.078 18.169 17.325 16.539 15.115 14.851 14.594 14.342 14.096 13.856 13.621 13.392 13.167 12.947 12.732 12.522 12.316 12.114 11.916 11.722 11.532 11.346 11.164 10.985 10.809 37.542 34.843 32.398 30.226 28.294 26.566 25.013 23.609 22.332 21.165 20.094 19.107 18.193 17.345 16.555 15.123 14.858 14.599 14.347 14.100 13.859 13.623 13.392 13.167 12.947 12.731 12.520 12.313 12.110 11.912 11.718 11.528 11.341 11.159 10.980 10.804 37.564 34.889 32.452 30.281 28.347 26.618 25.062 23.654 22.373 21.203 20.128 19.137 18.219 17.367 16.573 15.134 14.868 14.607 14.353 14.105 13.863 13.626 13.395 13.168 12.947 12.730 12.518 12.310 12.107 11.908 11.713 11.522 11.334 11.151 10.971 10.795 37.587 34.934 32.505 30.335 28.400 26.669 25.110 23.699 22.415 21.241 20.163 19.168 18.246 17.390 16.592 15.147 14.879 14.618 14.362 14.113 13.870 13.632 13.399 13.171 12.949 12.731 12.518 12.309 12.105 11.905 11.709 11.517 11.329 11.144 10.963 10.786 99999.999 34.980 32.557 30.389 28.453 26.719 25.158 23.744 22.457 21.280 20.198 19.200 18.275 17.416 16.614 15.162 14.893 14.630 14.374 14.123 13.878 13.639 13.405 13.177 12.953 12.734 12.520 12.310 12.105 11.904 11.707 11.514 11.325 11.139 10.958 10.780 UO2,aq UO2(AQ) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 5 -2.250 1 -0.250 4 1.000 30 0.250 6 1.000 2 3.871 3.936 4.018 4.105 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.871 3.936 4.018 4.105 4.192 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.870 3.936 4.018 4.105 4.191 4.274 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.869 3.935 4.017 4.104 4.191 4.274 4.351 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.867 3.934 4.016 4.103 4.190 4.273 4.350 4.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.864 3.931 4.014 4.101 4.189 4.272 4.349 4.419 4.479 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.860 3.928 4.011 4.099 4.186 4.270 4.348 4.418 4.479 4.529 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.853 3.923 4.007 4.095 4.183 4.268 4.346 4.416 4.477 4.528 4.566 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.844 3.916 4.001 4.091 4.179 4.264 4.343 4.414 4.476 4.528 4.566 4.589 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.832 3.907 3.993 4.084 4.174 4.259 4.339 4.411 4.474 4.527 4.567 4.592 4.605 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.816 3.895 3.983 4.075 4.166 4.253 4.334 4.407 4.471 4.525 4.567 4.595 4.610 4.632 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.796 3.879 3.970 4.064 4.157 4.245 4.327 4.401 4.467 4.523 4.568 4.599 4.617 4.631 4.727 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.780 3.867 3.960 4.056 4.149 4.239 4.322 4.397 4.464 4.522 4.568 4.602 4.623 4.635 4.660 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.757 3.849 3.946 4.043 4.139 4.230 4.314 4.391 4.460 4.519 4.568 4.606 4.632 4.647 4.640 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.734 3.832 3.931 4.031 4.128 4.220 4.306 4.385 4.455 4.516 4.568 4.609 4.640 4.660 4.649 7.384 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.711 3.814 3.917 4.018 4.117 4.211 4.298 4.378 4.450 4.513 4.567 4.612 4.648 4.674 4.670 5.877 6.623 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.688 3.796 3.902 4.006 4.106 4.202 4.291 4.372 4.445 4.510 4.566 4.614 4.654 4.687 4.693 5.499 5.831 6.340 7.032 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.665 3.779 3.887 3.993 4.095 4.192 4.283 4.365 4.440 4.506 4.565 4.616 4.660 4.699 4.717 5.322 5.522 5.803 6.188 6.677 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.642 3.761 3.873 3.981 4.084 4.183 4.274 4.359 4.435 4.503 4.563 4.617 4.665 4.709 4.739 5.218 5.358 5.542 5.784 6.094 6.467 6.872 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.619 3.743 3.858 3.968 4.074 4.173 4.266 4.352 4.429 4.499 4.561 4.617 4.669 4.718 4.758 5.150 5.256 5.390 5.559 5.771 6.029 6.329 6.653 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.596 3.726 3.843 3.955 4.063 4.164 4.258 4.345 4.424 4.495 4.559 4.617 4.672 4.725 4.774 5.101 5.187 5.291 5.419 5.574 5.762 5.982 6.232 6.501 6.773 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.573 3.708 3.829 3.943 4.051 4.154 4.250 4.338 4.418 4.491 4.556 4.616 4.674 4.731 4.786 5.066 5.138 5.223 5.324 5.444 5.588 5.755 5.948 6.161 6.390 6.624 6.855 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.550 3.690 3.814 3.930 4.040 4.144 4.241 4.331 4.412 4.486 4.553 4.615 4.675 4.735 4.796 5.038 5.100 5.172 5.256 5.353 5.467 5.600 5.751 5.921 6.108 6.306 6.511 6.717 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.527 3.673 3.799 3.917 4.029 4.135 4.233 4.324 4.407 4.482 4.550 4.614 4.675 4.737 4.802 5.017 5.072 5.134 5.205 5.287 5.381 5.488 5.611 5.749 5.901 6.067 6.242 6.424 6.608 6.793 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.504 3.655 3.784 3.905 4.018 4.125 4.225 4.317 4.401 4.477 4.547 4.612 4.675 4.738 4.805 5.000 5.049 5.104 5.166 5.237 5.316 5.406 5.508 5.622 5.748 5.886 6.035 6.192 6.355 6.522 6.692 99999.999 99999.999 99999.999 99999.999 99999.999 3.481 3.637 3.769 3.892 4.007 4.115 4.216 4.309 4.395 4.473 4.544 4.610 4.674 4.738 4.806 4.986 5.031 5.081 5.136 5.198 5.266 5.343 5.429 5.525 5.632 5.748 5.874 6.009 6.152 6.300 6.453 6.609 6.767 99999.999 99999.999 99999.999 3.458 3.619 3.755 3.879 3.996 4.105 4.208 4.302 4.389 4.468 4.540 4.607 4.672 4.737 4.806 4.975 5.017 5.062 5.112 5.167 5.227 5.294 5.369 5.451 5.542 5.641 5.749 5.866 5.989 6.119 6.255 6.396 6.540 6.688 99999.999 99999.999 3.435 3.602 3.740 3.866 3.985 4.096 4.199 4.295 4.383 4.463 4.536 4.604 4.670 4.735 4.804 4.966 5.005 5.047 5.092 5.142 5.196 5.256 5.321 5.393 5.472 5.558 5.651 5.752 5.859 5.973 6.093 6.218 6.348 6.482 6.620 6.761 3.412 3.584 3.725 3.854 3.973 4.086 4.190 4.287 4.376 4.458 4.532 4.602 4.668 4.733 4.801 4.958 4.994 5.034 5.076 5.121 5.171 5.224 5.283 5.346 5.416 5.491 5.573 5.660 5.754 5.855 5.960 6.072 6.188 6.308 6.433 6.562 3.180 3.405 3.576 3.725 3.860 3.986 4.102 4.210 4.310 4.403 4.488 4.567 4.641 4.712 4.781 4.918 4.946 4.975 5.004 5.033 5.063 5.094 5.125 5.157 5.190 5.224 5.259 5.295 5.332 5.371 5.411 5.453 5.496 5.541 5.587 5.636 2.947 3.226 3.427 3.595 3.746 3.883 4.011 4.129 4.240 4.342 4.437 4.525 4.607 4.685 4.759 4.900 4.928 4.955 4.982 5.009 5.036 5.063 5.089 5.116 5.142 5.169 5.195 5.221 5.247 5.274 5.300 5.326 5.353 5.379 5.406 5.432 2.713 3.047 3.276 3.465 3.630 3.780 3.918 4.046 4.165 4.277 4.380 4.477 4.567 4.652 4.733 4.883 4.912 4.940 4.968 4.996 5.023 5.050 5.076 5.102 5.128 5.153 5.178 5.202 5.226 5.250 5.273 5.296 5.319 5.341 5.362 5.383 2.479 2.867 3.126 3.334 3.514 3.676 3.824 3.961 4.089 4.208 4.320 4.424 4.522 4.614 4.701 4.863 4.893 4.923 4.953 4.982 5.010 5.038 5.066 5.093 5.119 5.145 5.171 5.196 5.220 5.244 5.268 5.290 5.313 5.334 5.355 5.376 2.245 2.688 2.976 3.203 3.398 3.571 3.729 3.875 4.011 4.138 4.256 4.368 4.473 4.572 4.665 4.838 4.870 4.902 4.934 4.964 4.995 5.024 5.053 5.082 5.110 5.137 5.164 5.190 5.216 5.241 5.266 5.289 5.313 5.335 5.357 5.378 2.012 2.509 2.826 3.072 3.281 3.466 3.634 3.788 3.931 4.065 4.191 4.309 4.421 4.526 4.625 4.809 4.844 4.877 4.911 4.943 4.975 5.007 5.038 5.068 5.097 5.126 5.155 5.182 5.209 5.236 5.262 5.287 5.312 5.336 5.359 5.382 1.779 2.330 2.675 2.941 3.164 3.361 3.538 3.700 3.851 3.992 4.124 4.249 4.366 4.477 4.582 4.776 4.813 4.849 4.884 4.918 4.952 4.985 5.018 5.050 5.081 5.112 5.141 5.171 5.199 5.228 5.255 5.282 5.308 5.333 5.358 5.382 99999.999 2.152 2.526 2.810 3.048 3.255 3.442 3.612 3.770 3.918 4.056 4.186 4.310 4.426 4.537 4.741 4.779 4.817 4.854 4.890 4.926 4.961 4.995 5.028 5.061 5.093 5.125 5.156 5.186 5.215 5.244 5.272 5.300 5.327 5.353 5.378 UO2,aq UO2(AQ) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 -2.000 1 -0.500 31 1.000 30 1.000 2 41.895 38.516 35.628 33.133 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.895 38.516 35.628 33.133 30.954 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.895 38.516 35.628 33.133 30.954 29.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.895 38.515 35.628 33.133 30.954 29.029 27.311 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.894 38.515 35.628 33.134 30.954 29.029 27.312 25.764 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.893 38.515 35.628 33.134 30.955 29.030 27.312 25.765 24.357 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.892 38.514 35.628 33.134 30.955 29.031 27.313 25.766 24.359 23.065 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.890 38.514 35.628 33.134 30.956 29.032 27.315 25.768 24.361 23.069 21.865 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.887 38.513 35.627 33.135 30.957 29.033 27.317 25.771 24.365 23.074 21.872 20.738 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.883 38.511 35.627 33.135 30.958 29.035 27.320 25.775 24.370 23.080 21.881 20.751 19.668 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.878 38.509 35.627 33.136 30.960 29.038 27.323 25.779 24.376 23.088 21.893 20.768 19.692 18.653 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.871 38.507 35.626 33.137 30.962 29.041 27.328 25.785 24.384 23.099 21.907 20.789 19.722 18.690 17.694 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.866 38.505 35.626 33.137 30.963 29.043 27.331 25.790 24.390 23.107 21.918 20.804 19.745 18.721 17.695 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.859 38.502 35.625 33.138 30.965 29.046 27.335 25.796 24.398 23.117 21.933 20.825 19.776 18.766 17.742 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.851 38.498 35.624 33.139 30.967 29.049 27.340 25.801 24.405 23.128 21.947 20.845 19.805 18.808 17.803 18.053 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.843 38.495 35.623 33.139 30.968 29.052 27.344 25.807 24.413 23.137 21.960 20.864 19.833 18.849 17.866 17.082 17.248 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.835 38.492 35.622 33.139 30.970 29.054 27.347 25.812 24.420 23.147 21.973 20.882 19.858 18.887 17.927 16.861 16.759 16.771 16.874 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.828 38.488 35.621 33.139 30.971 29.057 27.351 25.817 24.427 23.155 21.985 20.898 19.882 18.922 17.984 16.774 16.587 16.457 16.393 16.381 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.820 38.485 35.619 33.139 30.972 29.059 27.354 25.822 24.433 23.164 21.996 20.914 19.904 18.954 18.035 16.734 16.510 16.319 16.169 16.061 15.986 15.913 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.812 38.481 35.618 33.139 30.973 29.061 27.358 25.827 24.439 23.172 22.007 20.928 19.924 18.983 18.081 16.716 16.472 16.251 16.056 15.892 15.758 15.645 15.539 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.803 38.478 35.616 33.139 30.974 29.063 27.361 25.831 24.445 23.180 22.017 20.942 19.943 19.009 18.122 16.710 16.454 16.215 15.996 15.799 15.626 15.474 15.339 15.210 15.077 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.795 38.474 35.615 33.139 30.975 29.065 27.364 25.835 24.451 23.187 22.027 20.955 19.960 19.032 18.157 16.710 16.447 16.198 15.964 15.747 15.548 15.368 15.205 15.055 14.913 14.771 14.625 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.787 38.470 35.613 33.139 30.976 29.067 27.367 25.839 24.456 23.194 22.036 20.966 19.975 19.053 18.188 16.715 16.447 16.190 15.947 15.718 15.503 15.303 15.119 14.949 14.790 14.639 14.491 14.345 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.779 38.466 35.611 33.138 30.976 29.069 27.369 25.843 24.461 23.201 22.045 20.978 19.989 19.071 18.213 16.723 16.451 16.190 15.940 15.702 15.476 15.264 15.064 14.878 14.703 14.539 14.382 14.232 14.085 13.941 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.771 38.462 35.609 33.138 30.977 29.070 27.372 25.847 24.467 23.208 22.053 20.988 20.002 19.087 18.235 16.732 16.458 16.194 15.939 15.695 15.462 15.241 15.030 14.832 14.644 14.467 14.300 14.140 13.988 13.841 13.700 99999.999 99999.999 99999.999 99999.999 99999.999 41.762 38.458 35.607 33.137 30.977 29.072 27.374 25.851 24.471 23.214 22.061 20.998 20.014 19.102 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-13.967 -13.708 -13.452 -13.200 -12.951 -12.705 -12.461 -12.221 -11.984 -11.749 -11.518 -11.289 -11.063 -10.839 -10.619 -10.400 -10.185 -9.972 -9.761 -9.553 -9.347 -28.345 -27.011 -25.833 -24.727 -23.674 -22.667 -21.702 -20.777 -19.889 -19.035 -18.214 -17.423 -16.661 -15.926 -15.217 -13.869 -13.609 -13.353 -13.101 -12.851 -12.605 -12.361 -12.121 -11.884 -11.649 -11.417 -11.188 -10.962 -10.738 -10.517 -10.299 -10.083 -9.870 -9.659 -9.450 -9.244 99999.999 -26.932 -25.740 -24.628 -23.574 -22.567 -21.603 -20.680 -19.793 -18.940 -18.120 -17.330 -16.568 -15.833 -15.124 -13.775 -13.515 -13.259 -13.006 -12.757 -12.510 -12.266 -12.026 -11.788 -11.553 -11.321 -11.092 -10.866 -10.642 -10.420 -10.202 -9.986 -9.772 -9.561 -9.352 -9.146 HUO2,aq HUO2(AQ) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 -2.000 1 -0.750 31 1.000 30 1.500 2 95.701 86.258 78.475 71.948 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.701 86.258 78.475 71.948 66.400 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.702 86.258 78.476 71.949 66.400 61.630 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.702 86.259 78.476 71.949 66.401 61.631 57.490 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.703 86.260 78.478 71.951 66.402 61.633 57.492 53.865 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.704 86.262 78.480 71.953 66.405 61.635 57.494 53.867 50.665 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.705 86.265 78.483 71.956 66.408 61.638 57.498 53.871 50.669 47.817 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.708 86.268 78.487 71.960 66.412 61.643 57.503 53.877 50.675 47.824 45.261 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.711 86.274 78.493 71.967 66.419 61.650 57.510 53.884 50.683 47.833 45.273 42.947 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.715 86.281 78.501 71.975 66.427 61.658 57.519 53.894 50.694 47.845 45.287 42.966 40.833 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.721 86.289 78.511 71.986 66.438 61.670 57.531 53.907 50.708 47.861 45.306 42.990 40.865 38.891 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.728 86.301 78.524 71.999 66.452 61.684 57.546 53.923 50.725 47.881 45.330 43.020 40.905 38.942 37.097 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.733 86.310 78.534 72.010 66.463 61.695 57.558 53.935 50.738 47.896 45.348 43.043 40.935 38.982 37.118 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.741 86.322 78.548 72.024 66.478 61.711 57.574 53.952 50.757 47.917 45.373 43.074 40.977 39.039 37.185 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.748 86.334 78.561 72.039 66.493 61.726 57.590 53.969 50.776 47.937 45.396 43.104 41.016 39.093 37.262 35.908 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.755 86.346 78.575 72.053 66.508 61.742 57.606 53.986 50.794 47.957 45.420 43.132 41.054 39.145 37.339 35.101 34.956 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.762 86.357 78.588 72.067 66.522 61.756 57.621 54.002 50.811 47.977 45.442 43.159 41.089 39.193 37.412 34.930 34.559 34.294 34.103 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.769 86.369 78.601 72.081 66.536 61.771 57.636 54.018 50.828 47.995 45.463 43.185 41.122 39.237 37.480 34.872 34.430 34.047 33.728 33.456 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.775 86.380 78.614 72.094 66.550 61.785 57.651 54.034 50.845 48.014 45.484 43.210 41.153 39.279 37.542 34.853 34.380 33.947 33.558 33.214 32.902 32.593 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.781 86.391 78.627 72.107 66.564 61.799 57.665 54.049 50.861 48.032 45.504 43.233 41.182 39.317 37.598 34.851 34.363 33.905 33.480 33.091 32.734 32.402 32.079 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.788 86.402 78.639 72.121 66.577 61.813 57.680 54.064 50.877 48.049 45.524 43.256 41.209 39.352 37.648 34.859 34.362 33.890 33.445 33.029 32.642 32.281 31.941 31.612 31.283 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.794 86.412 78.651 72.133 66.591 61.827 57.694 54.079 50.893 48.066 45.542 43.278 41.235 39.384 37.693 34.873 34.369 33.889 33.432 33.001 32.594 32.211 31.851 31.508 31.179 30.856 30.534 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.799 86.423 78.663 72.146 66.604 61.840 57.708 54.093 50.908 48.082 45.561 43.298 41.259 39.414 37.732 34.889 34.382 33.896 33.432 32.990 32.571 32.173 31.797 31.440 31.100 30.773 30.456 30.146 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.805 86.433 78.675 72.159 66.617 61.853 57.721 54.107 50.923 48.099 45.578 43.318 41.282 39.440 37.767 34.908 34.398 33.908 33.440 32.991 32.563 32.155 31.767 31.399 31.047 30.712 30.391 30.080 29.780 29.489 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.811 86.443 78.687 72.171 66.629 61.866 57.735 54.121 50.938 48.115 45.596 43.337 41.303 39.465 37.797 34.927 34.416 33.924 33.452 32.999 32.565 32.150 31.754 31.376 31.015 30.671 30.342 30.027 29.725 29.434 29.155 99999.999 99999.999 99999.999 99999.999 99999.999 95.816 86.453 78.698 72.183 66.642 61.879 57.748 54.135 50.952 48.130 45.613 43.356 41.324 39.488 37.824 34.947 34.435 33.941 33.467 33.011 32.573 32.153 31.751 31.366 30.998 30.647 30.310 29.989 29.681 29.387 29.105 28.836 28.580 99999.999 99999.999 99999.999 95.821 86.463 78.710 72.195 66.654 61.892 57.761 54.149 50.967 48.145 45.629 43.373 41.343 39.509 37.847 34.968 34.455 33.960 33.484 33.026 32.585 32.162 31.756 31.366 30.992 30.634 30.292 29.964 29.651 29.351 29.065 28.792 28.532 28.285 99999.999 99999.999 95.826 86.472 78.721 72.207 66.666 61.904 57.774 54.162 50.981 48.160 45.645 43.391 41.362 39.529 37.869 34.989 34.475 33.980 33.502 33.043 32.600 32.174 31.765 31.371 30.993 30.631 30.283 29.950 29.631 29.326 29.034 28.756 28.492 28.240 28.002 27.778 95.831 86.482 78.732 72.219 66.678 61.916 57.786 54.175 50.994 48.175 45.661 43.408 41.380 39.549 37.889 35.010 34.495 34.000 33.522 33.061 32.617 32.190 31.778 31.381 31.000 30.634 30.282 29.944 29.620 29.310 29.014 28.731 28.461 28.204 27.960 27.730 95.875 86.569 78.834 72.328 66.790 62.030 57.903 54.295 51.120 48.308 45.802 43.559 41.542 39.721 38.071 35.206 34.694 34.199 33.721 33.260 32.814 32.383 31.966 31.563 31.173 30.796 30.430 30.077 29.735 29.404 29.084 28.775 28.475 28.186 27.907 27.637 95.908 86.645 78.926 72.425 66.890 62.132 58.006 54.401 51.230 48.422 45.923 43.687 41.677 39.865 38.224 35.375 34.866 34.374 33.900 33.441 32.998 32.570 32.156 31.755 31.367 30.991 30.628 30.275 29.933 29.602 29.281 28.969 28.666 28.373 28.088 27.811 95.933 86.712 79.008 72.513 66.981 62.224 58.099 54.496 51.327 48.523 46.028 43.798 41.794 39.988 38.354 35.520 35.014 34.525 34.053 33.598 33.158 32.733 32.322 31.924 31.539 31.167 30.806 30.456 30.117 29.788 29.470 29.160 28.860 28.568 28.285 28.009 95.953 86.773 79.083 72.594 67.065 62.309 58.185 54.583 51.415 48.614 46.122 43.896 41.897 40.097 38.468 35.646 35.142 34.656 34.187 33.734 33.297 32.874 32.466 32.071 31.689 31.319 30.961 30.615 30.279 29.953 29.637 29.330 29.033 28.744 28.463 28.191 95.968 86.829 79.153 72.670 67.142 62.388 58.264 54.663 51.496 48.696 46.207 43.984 41.990 40.193 38.569 35.758 35.256 34.772 34.305 33.854 33.419 32.999 32.593 32.200 31.821 31.453 31.098 30.753 30.420 30.097 29.783 29.480 29.185 28.899 28.621 28.351 95.980 86.880 79.218 72.740 67.215 62.462 58.339 54.737 51.572 48.773 46.286 44.065 42.073 40.280 38.660 35.857 35.357 34.875 34.409 33.961 33.528 33.109 32.705 32.315 31.937 31.572 31.218 30.876 30.545 30.224 29.913 29.611 29.319 29.035 28.759 28.492 95.989 86.929 79.280 72.807 67.285 62.531 58.409 54.808 51.642 48.844 46.358 44.139 42.150 40.360 38.743 35.946 35.448 34.967 34.504 34.056 33.625 33.208 32.806 32.417 32.041 31.677 31.326 30.985 30.656 30.337 30.027 29.728 29.437 29.155 28.882 28.616 99999.999 86.975 79.339 72.871 67.350 62.598 58.476 54.874 51.709 48.912 46.427 44.209 42.221 40.433 38.819 36.028 35.531 35.051 34.589 34.143 33.713 33.298 32.897 32.509 32.134 31.772 31.422 31.083 30.755 30.438 30.130 29.832 29.543 29.262 28.990 28.727 HUO2+ HUO2+ P-T:All Charge = 1. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 -1.250 1 -0.250 4 1.000 30 0.250 6 -40.376 -37.176 -34.445 -32.093 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -40.376 -37.176 -34.445 -32.093 -30.048 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -40.376 -37.176 -34.445 -32.093 -30.048 -28.255 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -40.376 -37.176 -34.445 -32.093 -30.048 -28.255 -26.672 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -40.376 -37.176 -34.444 -32.092 -30.047 -28.255 -26.671 -25.263 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -40.377 -37.176 -34.444 -32.092 -30.047 -28.254 -26.671 -25.262 -24.002 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -40.377 -37.176 -34.443 -32.091 -30.046 -28.253 -26.670 -25.261 -24.001 -22.867 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -40.378 -37.175 -34.443 -32.090 -30.045 -28.252 -26.668 -25.260 -23.999 -22.865 -21.841 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -40.379 -37.175 -34.441 -32.088 -30.043 -28.250 -26.666 -25.258 -23.997 -22.863 -21.838 -20.908 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -40.380 -37.174 -34.440 -32.086 -30.041 -28.248 -26.664 -25.255 -23.994 -22.860 -21.835 -20.904 -20.051 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -40.382 -37.173 -34.438 -32.084 -30.038 -28.245 -26.661 -25.252 -23.991 -22.856 -21.831 -20.900 -20.048 -19.249 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -40.384 -37.172 -34.435 -32.081 -30.034 -28.241 -26.656 -25.247 -23.986 -22.851 -21.826 -20.894 -20.042 -19.252 -18.454 99999.999 99999.999 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Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 3 -1.000 1 -0.500 31 1.000 30 -2.351 -2.597 -2.835 -3.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.351 -2.597 -2.835 -3.064 -3.286 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.351 -2.597 -2.835 -3.064 -3.285 -3.501 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-4.555 -4.756 -4.962 -5.184 -5.466 -5.524 -5.574 -5.615 -5.648 -5.679 -5.720 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.215 -2.427 -2.656 -2.884 -3.106 -3.321 -3.531 -3.737 -3.939 -4.139 -4.337 -4.535 -4.734 -4.935 -5.147 -5.451 -5.514 -5.573 -5.626 -5.673 -5.715 -5.756 -5.804 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.203 -2.412 -2.641 -2.868 -3.090 -3.306 -3.516 -3.721 -3.923 -4.122 -4.320 -4.516 -4.712 -4.909 -5.114 -5.434 -5.500 -5.562 -5.622 -5.677 -5.728 -5.777 -5.825 -5.876 -5.935 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.192 -2.398 -2.625 -2.853 -3.075 -3.290 -3.500 -3.706 -3.907 -4.106 -4.302 -4.497 -4.692 -4.885 -5.083 -5.415 -5.482 -5.548 -5.611 -5.671 -5.728 -5.782 -5.835 -5.887 -5.941 -5.999 -6.062 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.180 -2.383 -2.610 -2.837 -3.059 -3.275 -3.485 -3.690 -3.891 -4.090 -4.286 -4.479 -4.672 -4.863 -5.055 -5.396 -5.464 -5.531 -5.595 -5.658 -5.719 -5.778 -5.834 -5.889 -5.944 -5.999 -6.057 -6.117 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.169 -2.369 -2.595 -2.822 -3.044 -3.260 -3.470 -3.675 -3.876 -4.074 -4.269 -4.462 -4.653 -4.841 -5.030 -5.376 -5.445 -5.512 -5.578 -5.643 -5.706 -5.767 -5.827 -5.885 -5.941 -5.997 -6.053 -6.110 -6.167 -6.225 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.158 -2.355 -2.580 -2.807 -3.029 -3.245 -3.455 -3.660 -3.861 -4.058 -4.253 -4.445 -4.634 -4.821 -5.006 -5.356 -5.425 -5.493 -5.560 -5.626 -5.690 -5.753 -5.815 -5.875 -5.934 -5.991 -6.048 -6.104 -6.160 -6.215 -6.270 99999.999 99999.999 99999.999 99999.999 99999.999 -2.147 -2.341 -2.565 -2.792 -3.014 -3.230 -3.440 -3.645 -3.846 -4.043 -4.237 -4.428 -4.616 -4.802 -4.985 -5.336 -5.405 -5.473 -5.541 -5.607 -5.672 -5.737 -5.800 -5.861 -5.922 -5.981 -6.039 -6.096 -6.152 -6.206 -6.260 -6.312 -6.362 99999.999 99999.999 99999.999 -2.135 -2.327 -2.550 -2.777 -2.999 -3.216 -3.426 -3.631 -3.831 -4.027 -4.221 -4.411 -4.599 -4.784 -4.965 -5.317 -5.386 -5.454 -5.521 -5.588 -5.654 -5.719 -5.783 -5.846 -5.907 -5.968 -6.027 -6.085 -6.142 -6.197 -6.251 -6.303 -6.353 -6.401 99999.999 99999.999 -2.124 -2.313 -2.536 -2.762 -2.985 -3.201 -3.411 -3.616 -3.816 -4.012 -4.205 -4.395 -4.582 -4.766 -4.946 -5.298 -5.366 -5.434 -5.502 -5.569 -5.635 -5.700 -5.765 -5.828 -5.891 -5.953 -6.013 -6.072 -6.130 -6.186 -6.241 -6.294 -6.345 -6.393 -6.439 -6.483 -2.114 -2.299 -2.521 -2.747 -2.970 -3.187 -3.397 -3.602 -3.802 -3.997 -4.190 -4.379 -4.566 -4.749 -4.928 -5.278 -5.347 -5.415 -5.482 -5.549 -5.615 -5.681 -5.746 -5.810 -5.873 -5.936 -5.997 -6.057 -6.116 -6.173 -6.229 -6.283 -6.335 -6.385 -6.432 -6.477 -2.009 -2.165 -2.380 -2.605 -2.829 -3.047 -3.259 -3.464 -3.663 -3.857 -4.046 -4.231 -4.413 -4.590 -4.764 -5.102 -5.168 -5.233 -5.299 -5.363 -5.428 -5.492 -5.556 -5.619 -5.682 -5.745 -5.808 -5.870 -5.931 -5.992 -6.052 -6.112 -6.171 -6.230 -6.287 -6.344 -1.911 -2.039 -2.246 -2.471 -2.696 -2.916 -3.129 -3.335 -3.534 -3.727 -3.915 -4.098 -4.276 -4.450 -4.619 -4.947 -5.011 -5.075 -5.138 -5.201 -5.263 -5.325 -5.386 -5.447 -5.508 -5.568 -5.629 -5.689 -5.748 -5.807 -5.866 -5.925 -5.984 -6.042 -6.099 -6.157 -1.818 -1.919 -2.119 -2.343 -2.569 -2.791 -3.006 -3.213 -3.413 -3.606 -3.793 -3.975 -4.151 -4.322 -4.489 -4.810 -4.873 -4.935 -4.996 -5.057 -5.117 -5.177 -5.237 -5.296 -5.355 -5.413 -5.471 -5.529 -5.586 -5.644 -5.701 -5.757 -5.814 -5.870 -5.926 -5.982 -1.729 -1.803 -1.996 -2.219 -2.447 -2.671 -2.888 -3.097 -3.299 -3.492 -3.679 -3.860 -4.035 -4.205 -4.370 -4.686 -4.747 -4.808 -4.868 -4.927 -4.986 -5.045 -5.103 -5.161 -5.218 -5.275 -5.331 -5.387 -5.443 -5.498 -5.554 -5.608 -5.663 -5.718 -5.772 -5.826 -1.644 -1.692 -1.878 -2.100 -2.329 -2.555 -2.775 -2.986 -3.189 -3.384 -3.571 -3.752 -3.926 -4.095 -4.258 -4.571 -4.631 -4.691 -4.750 -4.809 -4.867 -4.924 -4.981 -5.038 -5.094 -5.149 -5.205 -5.259 -5.314 -5.368 -5.422 -5.475 -5.528 -5.581 -5.634 -5.686 -1.562 -1.583 -1.763 -1.984 -2.215 -2.443 -2.665 -2.879 -3.083 -3.280 -3.468 -3.649 -3.823 -3.991 -4.154 -4.464 -4.524 -4.583 -4.641 -4.699 -4.757 -4.813 -4.869 -4.925 -4.980 -5.035 -5.089 -5.143 -5.196 -5.249 -5.302 -5.354 -5.406 -5.458 -5.510 -5.561 -1.482 -1.478 -1.651 -1.872 -2.104 -2.334 -2.559 -2.774 -2.981 -3.179 -3.369 -3.550 -3.725 -3.893 -4.055 -4.364 -4.423 -4.482 -4.540 -4.597 -4.654 -4.710 -4.765 -4.820 -4.875 -4.929 -4.982 -5.035 -5.088 -5.140 -5.192 -5.244 -5.295 -5.346 -5.396 -5.446 99999.999 -1.374 -1.541 -1.761 -1.995 -2.228 -2.455 -2.673 -2.882 -3.081 -3.272 -3.455 -3.630 -3.799 -3.961 -4.268 -4.328 -4.386 -4.444 -4.501 -4.557 -4.613 -4.668 -4.722 -4.776 -4.830 -4.883 -4.935 -4.987 -5.039 -5.090 -5.141 -5.191 -5.242 -5.292 -5.341 UO3,aq UO3(AQ) P-T:All Charge = 0. Radius(Å) = 5.00 Alk. = 0.000 Ref: Shock07 3 -2.000 1 1.000 30 1.000 2 11.159 10.312 9.635 9.084 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.159 10.312 9.635 9.084 8.628 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.159 10.312 9.635 9.084 8.628 8.242 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.158 10.311 9.635 9.084 8.627 8.242 7.911 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.157 10.311 9.635 9.084 8.627 8.242 7.911 7.621 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.156 10.310 9.634 9.083 8.627 8.242 7.911 7.621 7.362 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.153 10.308 9.633 9.083 8.626 8.242 7.911 7.621 7.362 7.124 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.150 10.306 9.631 9.082 8.626 8.241 7.911 7.622 7.364 7.127 6.900 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.145 10.303 9.629 9.080 8.625 8.241 7.911 7.623 7.366 7.129 6.905 6.681 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.139 10.299 9.626 9.078 8.624 8.240 7.912 7.624 7.368 7.133 6.910 6.690 6.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.130 10.293 9.623 9.076 8.622 8.240 7.912 7.626 7.371 7.138 6.918 6.701 6.481 6.262 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.119 10.286 9.618 9.072 8.620 8.239 7.912 7.627 7.374 7.144 6.927 6.716 6.502 6.283 6.108 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.111 10.281 9.614 9.069 8.618 8.238 7.912 7.628 7.376 7.148 6.934 6.726 6.518 6.303 6.074 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.098 10.272 9.608 9.065 8.615 8.236 7.912 7.630 7.380 7.153 6.943 6.741 6.541 6.334 6.090 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.086 10.264 9.602 9.060 8.612 8.234 7.911 7.631 7.383 7.159 6.951 6.755 6.562 6.365 6.129 8.253 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.073 10.256 9.595 9.056 8.609 8.232 7.911 7.632 7.385 7.163 6.959 6.767 6.582 6.395 6.175 6.955 7.537 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.060 10.247 9.589 9.051 8.605 8.230 7.910 7.632 7.388 7.168 6.967 6.779 6.600 6.424 6.221 6.640 6.865 7.240 7.753 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.047 10.238 9.583 9.046 8.602 8.228 7.909 7.633 7.390 7.172 6.973 6.790 6.617 6.450 6.265 6.502 6.613 6.794 7.062 7.407 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.034 10.229 9.576 9.042 8.598 8.226 7.908 7.633 7.391 7.176 6.980 6.800 6.632 6.474 6.305 6.428 6.487 6.585 6.733 6.936 7.187 7.451 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.020 10.221 9.570 9.036 8.594 8.223 7.907 7.633 7.393 7.179 6.985 6.809 6.646 6.495 6.341 6.383 6.415 6.470 6.557 6.679 6.839 7.030 7.234 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.007 10.211 9.563 9.031 8.591 8.220 7.905 7.633 7.394 7.182 6.991 6.817 6.659 6.513 6.372 6.355 6.370 6.401 6.452 6.528 6.631 6.760 6.911 7.073 7.232 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.993 10.202 9.556 9.026 8.587 8.218 7.904 7.633 7.396 7.185 6.995 6.824 6.670 6.530 6.398 6.338 6.341 6.356 6.386 6.433 6.500 6.587 6.694 6.817 6.949 7.083 7.210 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.980 10.193 9.549 9.021 8.582 8.215 7.902 7.632 7.396 7.187 7.000 6.831 6.679 6.544 6.421 6.327 6.322 6.327 6.342 6.371 6.414 6.472 6.547 6.637 6.739 6.850 6.964 7.077 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.966 10.184 9.542 9.015 8.578 8.212 7.900 7.632 7.397 7.190 7.004 6.837 6.688 6.556 6.439 6.321 6.310 6.307 6.313 6.329 6.355 6.394 6.446 6.510 6.587 6.674 6.769 6.867 6.968 7.069 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.952 10.174 9.535 9.010 8.574 8.208 7.898 7.631 7.398 7.192 7.007 6.843 6.696 6.566 6.453 6.318 6.303 6.295 6.293 6.300 6.315 6.339 6.375 6.420 6.477 6.543 6.618 6.700 6.788 6.878 6.971 99999.999 99999.999 99999.999 99999.999 99999.999 10.938 10.165 9.528 9.004 8.570 8.205 7.896 7.630 7.398 7.193 7.011 6.848 6.702 6.574 6.464 6.317 6.299 6.287 6.280 6.280 6.286 6.301 6.324 6.355 6.396 6.446 6.504 6.570 6.643 6.720 6.803 6.889 6.978 99999.999 99999.999 99999.999 10.924 10.155 9.520 8.998 8.565 8.202 7.894 7.629 7.398 7.195 7.014 6.852 6.708 6.582 6.473 6.318 6.298 6.282 6.272 6.266 6.267 6.273 6.287 6.308 6.337 6.373 6.418 6.469 6.528 6.593 6.663 6.738 6.818 6.902 99999.999 99999.999 10.910 10.145 9.513 8.993 8.561 8.198 7.891 7.628 7.398 7.196 7.016 6.856 6.714 6.588 6.480 6.320 6.298 6.280 6.267 6.257 6.253 6.254 6.261 6.273 6.293 6.319 6.352 6.392 6.438 6.491 6.549 6.613 6.682 6.756 6.835 6.919 10.895 10.135 9.506 8.987 8.556 8.195 7.889 7.626 7.398 7.197 7.019 6.860 6.718 6.594 6.486 6.323 6.300 6.280 6.264 6.252 6.244 6.240 6.242 6.248 6.260 6.278 6.302 6.332 6.368 6.410 6.458 6.511 6.569 6.633 6.702 6.776 10.748 10.033 9.427 8.923 8.505 8.154 7.859 7.606 7.389 7.200 7.034 6.887 6.756 6.641 6.539 6.374 6.347 6.321 6.297 6.275 6.255 6.236 6.218 6.203 6.189 6.177 6.166 6.157 6.151 6.146 6.143 6.142 6.144 6.147 6.153 6.161 10.593 9.924 9.341 8.854 8.447 8.107 7.820 7.577 7.370 7.190 7.034 6.898 6.777 6.672 6.578 6.426 6.400 6.375 6.352 6.330 6.309 6.289 6.271 6.253 6.237 6.221 6.206 6.192 6.179 6.166 6.155 6.144 6.134 6.124 6.116 6.108 10.432 9.810 9.251 8.779 8.384 8.054 7.776 7.542 7.342 7.172 7.025 6.897 6.786 6.689 6.604 6.466 6.442 6.420 6.399 6.379 6.361 6.343 6.326 6.310 6.294 6.280 6.265 6.252 6.239 6.227 6.215 6.203 6.192 6.181 6.170 6.160 10.268 9.692 9.157 8.701 8.318 7.997 7.728 7.501 7.309 7.146 7.007 6.888 6.785 6.696 6.618 6.495 6.474 6.454 6.436 6.419 6.402 6.387 6.372 6.358 6.345 6.332 6.320 6.309 6.298 6.287 6.277 6.267 6.257 6.247 6.238 6.229 10.100 9.571 9.060 8.620 8.248 7.937 7.676 7.456 7.271 7.116 6.984 6.871 6.776 6.694 6.624 6.514 6.496 6.479 6.463 6.448 6.434 6.421 6.409 6.397 6.386 6.376 6.366 6.357 6.348 6.340 6.332 6.324 6.316 6.309 6.301 6.294 9.930 9.447 8.961 8.536 8.176 7.874 7.621 7.408 7.230 7.081 6.955 6.850 6.761 6.686 6.622 6.525 6.509 6.494 6.481 6.468 6.457 6.446 6.436 6.427 6.418 6.410 6.403 6.396 6.389 6.383 6.377 6.371 6.366 6.360 6.355 6.350 9.757 9.322 8.860 8.451 8.102 7.809 7.564 7.358 7.186 7.043 6.923 6.824 6.741 6.672 6.614 6.528 6.515 6.503 6.492 6.481 6.472 6.463 6.455 6.448 6.442 6.436 6.430 6.425 6.421 6.417 6.413 6.409 6.406 6.402 6.399 6.396 99999.999 9.196 8.757 8.363 8.026 7.742 7.504 7.306 7.140 7.003 6.889 6.794 6.717 6.653 6.602 6.527 6.515 6.505 6.496 6.488 6.480 6.474 6.468 6.463 6.458 6.454 6.450 6.447 6.445 6.442 6.440 6.439 6.437 6.436 6.435 6.433 UO3- UO3- P-T:All Charge =-1. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 5 -3.125 1 -0.125 4 1.000 30 0.500 2 0.125 6 -2.640 -2.327 -2.038 -1.775 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.640 -2.327 -2.038 -1.775 -1.533 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.641 -2.327 -2.038 -1.775 -1.533 -1.308 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.641 -2.327 -2.038 -1.775 -1.533 -1.308 -1.098 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.642 -2.328 -2.039 -1.775 -1.533 -1.308 -1.098 -0.897 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.642 -2.328 -2.039 -1.775 -1.533 -1.309 -1.098 -0.898 -0.703 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.644 -2.329 -2.039 -1.775 -1.533 -1.309 -1.098 -0.898 -0.704 -0.510 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.646 -2.329 -2.039 -1.775 -1.533 -1.309 -1.099 -0.899 -0.705 -0.512 -0.312 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.649 -2.331 -2.040 -1.775 -1.533 -1.309 -1.100 -0.900 -0.706 -0.514 -0.316 -0.102 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.652 -2.332 -2.041 -1.776 -1.534 -1.310 -1.101 -0.901 -0.709 -0.518 -0.322 -0.111 0.136 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.657 -2.334 -2.042 -1.777 -1.534 -1.311 -1.102 -0.903 -0.711 -0.522 -0.329 -0.122 0.115 0.435 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.664 -2.337 -2.043 -1.777 -1.535 -1.312 -1.103 -0.906 -0.715 -0.527 -0.337 -0.136 0.091 0.379 0.896 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.669 -2.339 -2.044 -1.778 -1.536 -1.313 -1.104 -0.907 -0.718 -0.531 -0.343 -0.145 0.075 0.345 0.761 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.676 -2.342 -2.046 -1.779 -1.537 -1.314 -1.106 -0.910 -0.721 -0.536 -0.351 -0.158 0.054 0.304 0.648 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.684 -2.346 -2.047 -1.780 -1.538 -1.315 -1.108 -0.912 -0.725 -0.542 -0.358 -0.169 0.035 0.270 0.573 3.273 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.691 -2.349 -2.049 -1.781 -1.539 -1.316 -1.109 -0.915 -0.728 -0.547 -0.366 -0.180 0.018 0.242 0.516 1.825 2.621 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.699 -2.352 -2.051 -1.783 -1.540 -1.317 -1.111 -0.917 -0.732 -0.551 -0.373 -0.190 0.003 0.217 0.471 1.430 1.827 2.409 3.232 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.706 -2.356 -2.053 -1.784 -1.541 -1.319 -1.113 -0.919 -0.735 -0.556 -0.379 -0.199 -0.011 0.195 0.434 1.222 1.491 1.843 2.311 2.918 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.714 -2.359 -2.055 -1.785 -1.542 -1.320 -1.114 -0.921 -0.738 -0.560 -0.385 -0.208 -0.024 0.176 0.402 1.085 1.293 1.548 1.865 2.261 2.746 3.307 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.722 -2.363 -2.057 -1.786 -1.543 -1.321 -1.116 -0.924 -0.741 -0.565 -0.391 -0.217 -0.036 0.158 0.374 0.985 1.157 1.359 1.600 1.889 2.235 2.641 3.100 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.729 -2.367 -2.059 -1.788 -1.544 -1.323 -1.118 -0.926 -0.744 -0.569 -0.397 -0.225 -0.047 0.141 0.349 0.906 1.055 1.225 1.421 1.649 1.915 2.223 2.574 2.962 3.377 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.737 -2.370 -2.061 -1.789 -1.546 -1.324 -1.119 -0.928 -0.747 -0.573 -0.402 -0.232 -0.058 0.126 0.326 0.842 0.974 1.122 1.289 1.478 1.694 1.940 2.218 2.528 2.865 3.222 3.590 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.745 -2.374 -2.063 -1.791 -1.547 -1.325 -1.121 -0.930 -0.750 -0.577 -0.408 -0.239 -0.068 0.112 0.306 0.788 0.908 1.040 1.186 1.349 1.532 1.736 1.965 2.219 2.496 2.794 3.107 3.430 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.753 -2.378 -2.065 -1.792 -1.548 -1.327 -1.123 -0.932 -0.753 -0.580 -0.413 -0.246 -0.077 0.098 0.287 0.742 0.852 0.972 1.103 1.247 1.406 1.582 1.776 1.989 2.222 2.474 2.740 3.019 3.305 3.594 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.761 -2.382 -2.068 -1.794 -1.550 -1.328 -1.124 -0.935 -0.755 -0.584 -0.418 -0.253 -0.087 0.086 0.269 0.701 0.804 0.914 1.034 1.163 1.305 1.459 1.628 1.812 2.012 2.227 2.457 2.699 2.950 3.206 3.466 99999.999 99999.999 99999.999 99999.999 99999.999 -2.769 -2.386 -2.070 -1.795 -1.551 -1.329 -1.126 -0.937 -0.758 -0.588 -0.422 -0.259 -0.095 0.074 0.252 0.666 0.762 0.865 0.975 1.093 1.221 1.359 1.509 1.671 1.846 2.034 2.234 2.445 2.666 2.894 3.126 3.360 3.595 99999.999 99999.999 99999.999 -2.777 -2.390 -2.072 -1.797 -1.552 -1.331 -1.128 -0.939 -0.761 -0.591 -0.427 -0.266 -0.103 0.063 0.237 0.633 0.724 0.821 0.923 1.033 1.150 1.275 1.410 1.555 1.711 1.877 2.054 2.240 2.436 2.639 2.847 3.059 3.273 3.486 99999.999 99999.999 -2.785 -2.394 -2.075 -1.799 -1.554 -1.332 -1.129 -0.941 -0.763 -0.595 -0.432 -0.271 -0.111 0.052 0.222 0.604 0.691 0.782 0.878 0.980 1.088 1.204 1.327 1.459 1.599 1.748 1.906 2.073 2.247 2.429 2.616 2.808 3.003 3.198 3.394 3.587 -2.794 -2.398 -2.077 -1.800 -1.555 -1.334 -1.131 -0.943 -0.766 -0.598 -0.436 -0.277 -0.119 0.042 0.208 0.578 0.661 0.747 0.838 0.934 1.035 1.142 1.256 1.376 1.504 1.639 1.782 1.933 2.090 2.254 2.423 2.597 2.775 2.954 3.134 3.314 -2.877 -2.441 -2.103 -1.819 -1.571 -1.349 -1.148 -0.963 -0.790 -0.628 -0.474 -0.326 -0.181 -0.039 0.104 0.397 0.458 0.520 0.583 0.647 0.713 0.781 0.850 0.920 0.993 1.067 1.144 1.222 1.302 1.384 1.468 1.554 1.642 1.731 1.822 1.914 -2.964 -2.487 -2.132 -1.840 -1.589 -1.366 -1.165 -0.982 -0.812 -0.655 -0.506 -0.364 -0.228 -0.097 0.033 0.289 0.340 0.392 0.444 0.496 0.549 0.602 0.656 0.710 0.765 0.820 0.876 0.932 0.989 1.047 1.106 1.165 1.224 1.284 1.345 1.406 -3.053 -2.535 -2.164 -1.863 -1.608 -1.383 -1.183 -1.000 -0.833 -0.678 -0.533 -0.397 -0.267 -0.142 -0.021 0.213 0.259 0.304 0.350 0.396 0.442 0.487 0.533 0.579 0.625 0.671 0.717 0.764 0.810 0.857 0.903 0.950 0.998 1.045 1.092 1.140 -3.144 -2.585 -2.196 -1.888 -1.628 -1.401 -1.200 -1.019 -0.853 -0.700 -0.558 -0.425 -0.300 -0.180 -0.065 0.154 0.196 0.238 0.280 0.322 0.363 0.404 0.445 0.486 0.527 0.567 0.608 0.648 0.688 0.729 0.769 0.809 0.850 0.890 0.930 0.970 -3.236 -2.636 -2.231 -1.913 -1.649 -1.420 -1.218 -1.037 -0.872 -0.721 -0.581 -0.451 -0.328 -0.213 -0.102 0.106 0.145 0.185 0.224 0.263 0.301 0.339 0.377 0.414 0.451 0.488 0.525 0.562 0.598 0.635 0.671 0.707 0.742 0.778 0.814 0.849 -3.330 -2.689 -2.266 -1.940 -1.670 -1.439 -1.236 -1.055 -0.891 -0.741 -0.603 -0.475 -0.355 -0.242 -0.135 0.065 0.103 0.140 0.177 0.214 0.250 0.286 0.321 0.356 0.391 0.425 0.460 0.493 0.527 0.561 0.594 0.627 0.660 0.692 0.725 0.757 -3.424 -2.743 -2.302 -1.966 -1.692 -1.459 -1.254 -1.073 -0.909 -0.760 -0.623 -0.497 -0.379 -0.268 -0.164 0.029 0.066 0.102 0.137 0.172 0.207 0.241 0.274 0.308 0.340 0.373 0.405 0.437 0.469 0.500 0.531 0.562 0.593 0.623 0.654 0.684 99999.999 -2.797 -2.338 -1.994 -1.715 -1.478 -1.273 -1.090 -0.927 -0.778 -0.642 -0.517 -0.401 -0.292 -0.190 -0.002 0.033 0.068 0.102 0.136 0.169 0.202 0.234 0.266 0.297 0.328 0.359 0.389 0.419 0.449 0.479 0.508 0.537 0.566 0.595 0.623 UO3- UO3- P-T:All Charge =-1. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 -3.000 1 -0.250 31 1.000 30 1.500 2 61.407 56.515 52.399 48.894 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.407 56.515 52.399 48.894 45.876 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.407 56.515 52.399 48.894 45.875 43.252 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.406 56.514 52.399 48.893 45.875 43.252 40.954 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.405 56.513 52.398 48.893 45.874 43.251 40.954 38.928 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.402 56.512 52.397 48.892 45.873 43.250 40.953 38.927 37.132 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.399 56.509 52.395 48.890 45.872 43.249 40.951 38.925 37.130 35.534 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.394 56.506 52.392 48.888 45.870 43.247 40.949 38.923 37.128 35.531 34.108 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.388 56.502 52.389 48.885 45.867 43.244 40.946 38.920 37.124 35.526 34.103 32.839 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.379 56.496 52.384 48.881 45.863 43.240 40.942 38.916 37.119 35.521 34.096 32.829 31.717 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.368 56.488 52.378 48.875 45.858 43.235 40.937 38.910 37.113 35.514 34.087 32.817 31.698 30.753 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.353 56.478 52.370 48.868 45.851 43.228 40.930 38.903 37.105 35.505 34.076 32.802 31.675 30.705 30.010 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.341 56.470 52.363 48.862 45.846 43.223 40.925 38.897 37.099 35.498 34.068 32.792 31.659 30.676 29.901 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.325 56.458 52.354 48.854 45.838 43.216 40.917 38.889 37.090 35.488 34.056 32.777 31.638 30.640 29.809 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.308 56.446 52.344 48.846 45.830 43.208 40.910 38.881 37.082 35.478 34.045 32.763 31.619 30.610 29.747 30.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.291 56.435 52.335 48.837 45.823 43.201 40.902 38.874 37.073 35.468 34.034 32.749 31.601 30.584 29.701 28.853 29.154 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.274 56.423 52.325 48.829 45.815 43.193 40.894 38.866 37.065 35.459 34.023 32.736 31.585 30.561 29.663 28.523 28.496 28.630 28.967 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.257 56.411 52.316 48.820 45.807 43.185 40.887 38.858 37.056 35.450 34.012 32.723 31.569 30.540 29.631 28.347 28.214 28.160 28.211 28.381 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.240 56.399 52.306 48.812 45.799 43.178 40.879 38.850 37.048 35.441 34.002 32.711 31.554 30.520 29.603 28.230 28.047 27.913 27.840 27.841 27.921 28.069 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.223 56.387 52.296 48.803 45.791 43.170 40.871 38.842 37.040 35.431 33.991 32.699 31.540 30.501 29.578 28.143 27.930 27.753 27.618 27.531 27.500 27.525 27.599 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.206 56.375 52.286 48.795 45.783 43.162 40.864 38.834 37.031 35.422 33.981 32.688 31.526 30.484 29.555 28.073 27.842 27.638 27.466 27.329 27.233 27.179 27.168 27.194 27.247 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.189 56.362 52.276 48.786 45.775 43.154 40.856 38.826 37.023 35.413 33.971 32.676 31.512 30.467 29.533 28.016 27.771 27.549 27.353 27.185 27.047 26.943 26.873 26.837 26.829 26.845 26.875 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.172 56.350 52.266 48.777 45.767 43.147 40.848 38.818 37.015 35.405 33.962 32.665 31.499 30.451 29.512 27.967 27.712 27.477 27.264 27.074 26.909 26.772 26.662 26.580 26.525 26.494 26.482 26.483 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.155 56.338 52.256 48.768 45.759 43.139 40.840 38.810 37.006 35.396 33.952 32.654 31.486 30.435 29.493 27.924 27.661 27.417 27.191 26.986 26.802 26.640 26.502 26.388 26.297 26.228 26.179 26.147 26.127 26.115 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.137 56.326 52.246 48.759 45.750 43.131 40.833 38.802 36.998 35.387 33.942 32.643 31.474 30.420 29.474 27.887 27.617 27.365 27.130 26.912 26.714 26.535 26.376 26.238 26.121 26.023 25.944 25.882 25.834 25.797 25.768 99999.999 99999.999 99999.999 99999.999 99999.999 61.120 56.313 52.236 48.750 45.742 43.123 40.825 38.794 36.990 35.378 33.933 32.633 31.461 30.406 29.456 27.852 27.578 27.319 27.076 26.850 26.641 26.448 26.274 26.118 25.980 25.860 25.758 25.671 25.598 25.538 25.488 25.446 25.409 99999.999 99999.999 99999.999 61.103 56.301 52.226 48.741 45.734 43.115 40.817 38.786 36.982 35.370 33.924 32.622 31.449 30.391 29.438 27.821 27.543 27.279 27.030 26.796 26.578 26.375 26.189 26.019 25.865 25.728 25.606 25.499 25.406 25.326 25.257 25.196 25.143 25.095 99999.999 99999.999 61.085 56.288 52.216 48.732 45.725 43.107 40.809 38.779 36.974 35.361 33.914 32.612 31.438 30.377 29.421 27.793 27.510 27.242 26.988 26.748 26.523 26.312 26.116 25.935 25.769 25.617 25.481 25.358 25.248 25.150 25.064 24.987 24.918 24.856 24.800 24.748 61.068 56.276 52.205 48.723 45.717 43.099 40.801 38.771 36.966 35.353 33.905 32.602 31.426 30.364 29.405 27.766 27.481 27.209 26.950 26.706 26.474 26.257 26.053 25.863 25.687 25.524 25.375 25.239 25.115 25.003 24.902 24.810 24.728 24.652 24.583 24.520 60.893 56.149 52.101 48.631 45.632 43.018 40.722 38.692 36.885 35.269 33.817 32.507 31.322 30.246 29.268 27.569 27.266 26.975 26.694 26.424 26.164 25.914 25.674 25.444 25.222 25.010 24.807 24.612 24.425 24.246 24.075 23.911 23.755 23.605 23.462 23.326 60.716 56.019 51.993 48.536 45.544 42.935 40.642 38.613 36.806 35.189 33.734 32.421 31.230 30.147 29.159 27.432 27.121 26.822 26.532 26.252 25.982 25.721 25.469 25.225 24.990 24.762 24.542 24.330 24.124 23.926 23.734 23.548 23.369 23.196 23.028 22.866 60.538 55.887 51.883 48.439 45.455 42.851 40.561 38.534 36.728 35.110 33.655 32.339 31.144 30.057 29.064 27.320 27.006 26.702 26.408 26.123 25.847 25.581 25.322 25.072 24.830 24.595 24.367 24.147 23.933 23.726 23.524 23.329 23.140 22.956 22.778 22.605 60.360 55.754 51.772 48.341 45.365 42.766 40.480 38.455 36.650 35.033 33.577 32.260 31.064 29.973 28.977 27.223 26.906 26.600 26.303 26.015 25.736 25.466 25.204 24.950 24.704 24.465 24.233 24.008 23.789 23.577 23.371 23.171 22.976 22.787 22.603 22.424 60.181 55.621 51.661 48.242 45.275 42.681 40.399 38.376 36.573 34.957 33.501 32.183 30.986 29.894 28.895 27.135 26.817 26.508 26.209 25.920 25.639 25.366 25.102 24.846 24.597 24.356 24.121 23.893 23.672 23.456 23.247 23.044 22.846 22.653 22.466 22.283 60.001 55.486 51.549 48.143 45.184 42.596 40.318 38.298 36.497 34.882 33.426 32.109 30.911 29.818 28.818 27.054 26.734 26.424 26.124 25.833 25.551 25.277 25.011 24.753 24.503 24.260 24.023 23.793 23.570 23.353 23.141 22.936 22.736 22.541 22.351 22.167 59.821 55.352 51.436 48.043 45.093 42.511 40.237 38.220 36.421 34.808 33.353 32.036 30.838 29.745 28.744 26.977 26.656 26.346 26.045 25.753 25.470 25.195 24.928 24.669 24.417 24.173 23.935 23.704 23.479 23.261 23.048 22.841 22.639 22.443 22.252 22.066 99999.999 55.218 51.323 47.944 45.002 42.427 40.157 38.143 36.347 34.735 33.281 31.965 30.767 29.674 28.672 26.903 26.583 26.272 25.970 25.677 25.393 25.118 24.850 24.590 24.338 24.093 23.854 23.622 23.396 23.177 22.963 22.755 22.552 22.355 22.163 21.975 HUO3- HUO3- P-T:All Charge =-1. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 5 -3.250 1 -0.250 4 1.000 30 0.250 6 2.000 2 16.307 15.949 15.622 15.333 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.307 15.949 15.622 15.333 15.080 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.306 15.948 15.621 15.333 15.080 14.861 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.304 15.946 15.620 15.331 15.078 14.859 14.672 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.301 15.943 15.617 15.329 15.076 14.857 14.670 14.514 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.295 15.939 15.613 15.325 15.073 14.854 14.667 14.510 14.384 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.287 15.932 15.607 15.319 15.067 14.848 14.661 14.505 14.378 14.284 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.275 15.922 15.599 15.311 15.059 14.841 14.654 14.497 14.370 14.274 14.216 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.259 15.909 15.587 15.300 15.049 14.830 14.643 14.486 14.358 14.262 14.201 14.186 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.238 15.891 15.570 15.285 15.034 14.816 14.629 14.471 14.343 14.245 14.182 14.163 14.204 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.209 15.867 15.549 15.265 15.015 14.798 14.611 14.452 14.323 14.224 14.158 14.133 14.164 14.288 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.173 15.837 15.522 15.240 14.991 14.774 14.587 14.428 14.298 14.196 14.126 14.095 14.114 14.211 14.497 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.144 15.813 15.501 15.220 14.972 14.756 14.569 14.410 14.278 14.175 14.103 14.067 14.077 14.158 14.388 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.104 15.779 15.470 15.192 14.945 14.729 14.542 14.383 14.250 14.145 14.070 14.028 14.028 14.088 14.265 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.063 15.745 15.440 15.164 14.919 14.703 14.516 14.357 14.223 14.116 14.037 13.990 13.980 14.024 14.162 14.809 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.022 15.711 15.410 15.136 14.892 14.677 14.490 14.330 14.196 14.087 14.005 13.953 13.936 13.964 14.072 14.375 14.622 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.982 15.677 15.380 15.108 14.865 14.651 14.465 14.304 14.169 14.059 13.974 13.918 13.893 13.909 13.992 14.194 14.331 14.526 14.803 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.942 15.644 15.349 15.080 14.839 14.625 14.439 14.279 14.143 14.031 13.944 13.883 13.852 13.857 13.919 14.070 14.165 14.290 14.456 14.673 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.901 15.610 15.319 15.052 14.812 14.600 14.414 14.253 14.116 14.003 13.914 13.850 13.813 13.809 13.853 13.972 14.044 14.135 14.250 14.396 14.577 14.792 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.861 15.576 15.289 15.024 14.786 14.574 14.388 14.227 14.090 13.976 13.885 13.817 13.775 13.763 13.792 13.890 13.946 14.016 14.104 14.212 14.343 14.499 14.678 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.821 15.543 15.259 14.996 14.759 14.549 14.363 14.202 14.064 13.949 13.856 13.786 13.739 13.720 13.736 13.817 13.862 13.919 13.988 14.072 14.173 14.292 14.429 14.583 14.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.781 15.509 15.229 14.969 14.733 14.523 14.338 14.177 14.039 13.922 13.828 13.755 13.704 13.679 13.684 13.751 13.788 13.835 13.891 13.959 14.040 14.134 14.243 14.365 14.500 14.643 14.790 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.741 15.476 15.200 14.941 14.707 14.498 14.313 14.152 14.013 13.896 13.800 13.725 13.671 13.640 13.636 13.690 13.721 13.760 13.807 13.863 13.929 14.006 14.095 14.194 14.304 14.423 14.548 14.675 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.701 15.443 15.170 14.913 14.681 14.473 14.288 14.127 13.988 13.870 13.772 13.695 13.638 13.602 13.591 13.634 13.660 13.692 13.731 13.778 13.834 13.898 13.971 14.054 14.146 14.246 14.352 14.462 14.573 14.682 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.661 15.409 15.140 14.886 14.655 14.447 14.264 14.103 13.963 13.844 13.745 13.666 13.606 13.567 13.550 13.581 13.603 13.630 13.663 13.703 13.749 13.804 13.866 13.936 14.013 14.098 14.189 14.284 14.382 14.479 14.575 99999.999 99999.999 99999.999 99999.999 99999.999 15.621 15.376 15.110 14.858 14.629 14.422 14.239 14.078 13.938 13.818 13.718 13.638 13.575 13.533 13.510 13.531 13.549 13.572 13.600 13.633 13.673 13.720 13.773 13.832 13.899 13.972 14.050 14.133 14.219 14.306 14.392 14.476 14.555 99999.999 99999.999 99999.999 15.581 15.343 15.081 14.831 14.603 14.397 14.215 14.054 13.913 13.793 13.692 13.610 13.545 13.500 13.473 13.484 13.498 13.517 13.541 13.570 13.604 13.644 13.689 13.741 13.798 13.861 13.929 14.001 14.077 14.155 14.233 14.310 14.384 14.454 99999.999 99999.999 15.542 15.310 15.051 14.804 14.577 14.372 14.190 14.029 13.889 13.768 13.666 13.582 13.516 13.468 13.438 13.439 13.450 13.466 13.486 13.510 13.539 13.574 13.613 13.658 13.708 13.763 13.822 13.886 13.953 14.022 14.093 14.163 14.232 14.298 14.360 14.416 15.502 15.276 15.021 14.776 14.551 14.347 14.166 14.005 13.865 13.743 13.640 13.555 13.487 13.436 13.403 13.395 13.404 13.417 13.433 13.454 13.479 13.509 13.543 13.582 13.626 13.674 13.726 13.782 13.842 13.904 13.967 14.032 14.095 14.157 14.216 14.271 15.109 14.948 14.728 14.506 14.296 14.103 13.927 13.769 13.628 13.504 13.394 13.300 13.219 13.152 13.098 13.029 13.022 13.017 13.014 13.013 13.015 13.019 13.025 13.034 13.045 13.058 13.073 13.091 13.110 13.131 13.155 13.180 13.206 13.233 13.262 13.291 14.723 14.625 14.440 14.240 14.046 13.864 13.696 13.543 13.404 13.278 13.166 13.066 12.978 12.901 12.835 12.734 12.718 12.704 12.692 12.682 12.673 12.665 12.660 12.655 12.653 12.652 12.652 12.654 12.658 12.663 12.669 12.676 12.685 12.695 12.706 12.718 14.342 14.306 14.156 13.979 13.801 13.630 13.471 13.323 13.187 13.063 12.950 12.847 12.755 12.672 12.598 12.477 12.457 12.438 12.420 12.403 12.388 12.374 12.362 12.350 12.340 12.331 12.324 12.317 12.312 12.307 12.304 12.302 12.301 12.301 12.302 12.304 13.964 13.991 13.875 13.721 13.560 13.401 13.251 13.109 12.977 12.855 12.743 12.640 12.545 12.459 12.380 12.246 12.222 12.200 12.178 12.158 12.139 12.121 12.104 12.088 12.073 12.059 12.046 12.034 12.023 12.013 12.004 11.996 11.989 11.982 11.977 11.972 13.591 13.679 13.598 13.467 13.322 13.176 13.035 12.900 12.773 12.655 12.544 12.441 12.345 12.257 12.176 12.032 12.007 11.982 11.958 11.935 11.913 11.892 11.872 11.853 11.835 11.817 11.801 11.785 11.771 11.757 11.744 11.731 11.720 11.709 11.700 11.691 13.220 13.370 13.324 13.217 13.088 12.954 12.823 12.695 12.574 12.460 12.351 12.250 12.154 12.065 11.982 11.833 11.806 11.779 11.754 11.729 11.706 11.683 11.660 11.639 11.618 11.599 11.580 11.561 11.544 11.527 11.512 11.496 11.482 11.468 11.456 11.443 12.852 13.065 13.053 12.969 12.857 12.736 12.614 12.495 12.379 12.269 12.164 12.064 11.970 11.881 11.797 11.645 11.616 11.589 11.562 11.536 11.511 11.487 11.463 11.440 11.418 11.397 11.376 11.356 11.337 11.318 11.300 11.283 11.266 11.251 11.235 11.221 99999.999 12.761 12.785 12.723 12.628 12.520 12.409 12.297 12.188 12.083 11.981 11.884 11.791 11.703 11.619 11.465 11.436 11.408 11.381 11.354 11.328 11.303 11.278 11.254 11.231 11.208 11.186 11.165 11.144 11.124 11.105 11.086 11.068 11.051 11.034 11.018 HUO3- HUO3- P-T:All Charge =-1. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 -3.000 1 -0.500 31 1.000 30 2.000 2 54.332 50.528 47.232 44.362 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.332 50.528 47.232 44.362 41.843 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.331 50.527 47.232 44.361 41.842 39.615 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.330 50.526 47.231 44.361 41.842 39.615 37.633 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.328 50.525 47.230 44.359 41.840 39.613 37.632 35.858 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.325 50.522 47.227 44.357 41.839 39.612 37.630 35.856 34.261 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.319 50.518 47.224 44.354 41.836 39.609 37.627 35.853 34.258 32.820 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.312 50.513 47.219 44.350 41.832 39.605 37.623 35.849 34.254 32.815 31.515 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.302 50.505 47.213 44.344 41.826 39.599 37.617 35.843 34.247 32.808 31.507 30.335 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.289 50.495 47.204 44.336 41.818 39.592 37.610 35.835 34.239 32.799 31.497 30.322 29.268 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.271 50.482 47.193 44.326 41.809 39.582 37.600 35.825 34.228 32.787 31.483 30.305 29.246 28.308 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.248 50.464 47.178 44.312 41.796 39.570 37.587 35.812 34.215 32.772 31.466 30.284 29.219 28.271 27.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.231 50.451 47.166 44.302 41.786 39.560 37.578 35.802 34.204 32.760 31.453 30.269 29.199 28.244 27.422 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.205 50.431 47.150 44.287 41.772 39.546 37.564 35.788 34.189 32.744 31.434 30.247 29.172 28.207 27.367 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.180 50.412 47.133 44.272 41.757 39.532 37.550 35.773 34.174 32.727 31.416 30.226 29.146 28.172 27.316 25.477 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.154 50.392 47.116 44.256 41.743 39.518 37.536 35.759 34.159 32.711 31.398 30.205 29.121 28.140 27.269 25.580 25.248 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.129 50.373 47.099 44.241 41.728 39.504 37.522 35.745 34.144 32.696 31.381 30.185 29.097 28.109 27.226 25.556 25.259 24.958 24.644 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.104 50.353 47.083 44.226 41.714 39.490 37.508 35.731 34.129 32.680 31.364 30.166 29.074 28.080 27.186 25.522 25.230 24.944 24.661 24.377 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.079 50.334 47.066 44.211 41.700 39.476 37.494 35.716 34.115 32.664 31.347 30.147 29.052 28.053 27.150 25.488 25.196 24.912 24.635 24.364 24.097 23.833 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.053 50.314 47.049 44.195 41.685 39.462 37.480 35.702 34.100 32.649 31.330 30.128 29.031 28.027 27.116 25.456 25.162 24.877 24.601 24.333 24.072 23.815 23.563 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.028 50.295 47.032 44.180 41.671 39.448 37.466 35.688 34.086 32.634 31.314 30.110 29.010 28.003 27.084 25.425 25.129 24.843 24.566 24.298 24.037 23.783 23.536 23.292 23.053 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.003 50.275 47.016 44.165 41.657 39.434 37.452 35.674 34.071 32.619 31.298 30.093 28.990 27.980 27.055 25.395 25.098 24.810 24.531 24.262 24.001 23.747 23.500 23.259 23.023 22.790 22.560 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.978 50.256 46.999 44.150 41.642 39.420 37.439 35.661 34.057 32.604 31.282 30.076 28.971 27.958 27.028 25.367 25.068 24.778 24.498 24.227 23.964 23.710 23.462 23.222 22.986 22.756 22.529 22.304 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.952 50.236 46.982 44.134 41.628 39.406 37.425 35.647 34.043 32.589 31.267 30.059 28.952 27.936 27.003 25.339 25.039 24.748 24.466 24.194 23.929 23.673 23.425 23.183 22.948 22.718 22.492 22.270 22.050 21.830 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.927 50.216 46.965 44.119 41.613 39.392 37.411 35.633 34.029 32.575 31.251 30.042 28.934 27.916 26.979 25.313 25.011 24.719 24.436 24.161 23.896 23.638 23.388 23.146 22.910 22.679 22.454 22.233 22.015 21.798 21.583 99999.999 99999.999 99999.999 99999.999 99999.999 53.902 50.197 46.948 44.104 41.599 39.379 37.397 35.619 34.015 32.560 31.236 30.026 28.916 27.897 26.957 25.288 24.985 24.691 24.406 24.131 23.864 23.604 23.353 23.109 22.872 22.641 22.415 22.194 21.977 21.763 21.550 21.339 21.127 99999.999 99999.999 99999.999 53.877 50.177 46.931 44.088 41.585 39.365 37.384 35.605 34.001 32.546 31.221 30.010 28.899 27.878 26.936 25.263 24.959 24.664 24.378 24.101 23.833 23.572 23.319 23.074 22.835 22.603 22.377 22.156 21.939 21.725 21.515 21.306 21.098 20.890 99999.999 99999.999 53.852 50.158 46.914 44.073 41.570 39.351 37.370 35.592 33.987 32.531 31.206 29.994 28.882 27.859 26.916 25.239 24.934 24.638 24.351 24.073 23.803 23.541 23.287 23.040 22.800 22.567 22.339 22.118 21.900 21.687 21.478 21.271 21.066 20.861 20.657 20.453 53.827 50.138 46.897 44.058 41.556 39.337 37.356 35.578 33.973 32.517 31.191 29.978 28.865 27.842 26.897 25.216 24.910 24.613 24.325 24.045 23.774 23.511 23.256 23.007 22.766 22.532 22.303 22.081 21.863 21.650 21.440 21.234 21.031 20.829 20.628 20.428 53.579 49.943 46.728 43.904 41.412 39.199 37.221 35.444 33.837 32.378 31.048 29.829 28.709 27.676 26.720 25.011 24.698 24.394 24.098 23.811 23.531 23.259 22.994 22.736 22.485 22.241 22.003 21.771 21.544 21.324 21.108 20.898 20.693 20.492 20.295 20.102 53.333 49.748 46.559 43.750 41.268 39.061 37.088 35.312 33.706 32.246 30.913 29.690 28.565 27.526 26.564 24.838 24.521 24.212 23.912 23.620 23.335 23.058 22.788 22.524 22.268 22.017 21.773 21.535 21.303 21.076 20.854 20.638 20.427 20.220 20.018 19.821 53.090 49.555 46.391 43.598 41.125 38.925 36.956 35.183 33.579 32.118 30.784 29.559 28.431 27.388 26.421 24.683 24.364 24.052 23.749 23.454 23.166 22.885 22.612 22.345 22.084 21.830 21.582 21.340 21.104 20.873 20.647 20.426 20.211 20.000 19.794 19.592 52.850 49.363 46.224 43.445 40.983 38.790 36.826 35.057 33.454 31.994 30.660 29.434 28.304 27.258 26.288 24.542 24.221 23.907 23.602 23.305 23.014 22.731 22.455 22.186 21.923 21.666 21.416 21.171 20.931 20.697 20.469 20.245 20.026 19.812 19.603 19.398 52.611 49.172 46.058 43.294 40.842 38.657 36.698 34.932 33.331 31.873 30.539 29.313 28.182 27.135 26.162 24.411 24.088 23.773 23.466 23.167 22.876 22.591 22.313 22.042 21.777 21.519 21.266 21.019 20.777 20.541 20.311 20.085 19.864 19.648 19.436 19.229 52.375 48.982 45.892 43.144 40.703 38.525 36.571 34.809 33.211 31.755 30.422 29.196 28.064 27.016 26.043 24.287 23.963 23.647 23.339 23.039 22.746 22.461 22.181 21.909 21.643 21.383 21.129 20.880 20.637 20.400 20.167 19.940 19.717 19.499 19.286 19.077 52.140 48.794 45.728 42.996 40.564 38.394 36.446 34.688 33.093 31.639 30.307 29.082 27.951 26.902 25.928 24.169 23.845 23.528 23.220 22.919 22.625 22.338 22.058 21.785 21.517 21.256 21.001 20.751 20.507 20.269 20.035 19.806 19.582 19.363 19.148 18.938 99999.999 48.608 45.566 42.848 40.427 38.264 36.322 34.569 32.977 31.526 30.195 28.971 27.841 26.792 25.817 24.057 23.732 23.415 23.106 22.804 22.510 22.222 21.942 21.667 21.399 21.138 20.881 20.631 20.386 20.146 19.912 19.682 19.457 19.237 19.021 18.810 UO2OH,aq UO2OH(AQ) P-T:All Charge = 0. Radius(Å) = 5.00 Alk. = 0.000 Ref: Shock07 5 -2.125 1 -0.125 4 1.000 30 1.500 2 0.125 6 22.488 20.900 19.581 18.469 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.488 20.900 19.581 18.469 17.519 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.487 20.900 19.580 18.468 17.519 16.697 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.486 20.899 19.580 18.468 17.518 16.697 15.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.484 20.897 19.579 18.467 17.517 16.696 15.978 15.341 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.481 20.895 19.577 18.465 17.516 16.695 15.977 15.340 14.770 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.477 20.892 19.574 18.463 17.514 16.694 15.975 15.339 14.769 14.252 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.471 20.887 19.570 18.460 17.512 16.691 15.974 15.338 14.769 14.252 13.774 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.462 20.881 19.565 18.455 17.508 16.688 15.971 15.336 14.767 14.252 13.775 13.327 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.450 20.872 19.558 18.449 17.503 16.684 15.968 15.333 14.766 14.251 13.777 13.331 12.908 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.435 20.860 19.548 18.441 17.496 16.678 15.963 15.330 14.764 14.251 13.779 13.336 12.917 12.529 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.415 20.845 19.536 18.431 17.487 16.671 15.957 15.325 14.761 14.250 13.781 13.343 12.928 12.535 12.231 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.400 20.834 19.526 18.423 17.480 16.665 15.952 15.322 14.758 14.249 13.782 13.347 12.936 12.545 12.177 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.377 20.817 19.512 18.411 17.470 16.656 15.945 15.316 14.755 14.247 13.783 13.353 12.948 12.563 12.171 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.355 20.800 19.498 18.399 17.460 16.648 15.938 15.311 14.751 14.245 13.784 13.358 12.960 12.581 12.192 14.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.332 20.783 19.484 18.387 17.449 16.639 15.930 15.305 14.746 14.243 13.785 13.363 12.970 12.600 12.221 12.746 13.326 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.310 20.765 19.470 18.375 17.439 16.630 15.923 15.299 14.742 14.241 13.785 13.366 12.980 12.617 12.252 12.394 12.588 12.948 13.472 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.287 20.748 19.456 18.363 17.428 16.621 15.915 15.293 14.737 14.238 13.784 13.370 12.988 12.632 12.282 12.232 12.302 12.450 12.698 13.038 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.264 20.731 19.441 18.350 17.418 16.612 15.908 15.286 14.733 14.235 13.784 13.372 12.994 12.646 12.309 12.138 12.153 12.211 12.325 12.505 12.741 13.004 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.241 20.713 19.427 18.338 17.407 16.602 15.900 15.280 14.728 14.232 13.782 13.373 13.000 12.658 12.333 12.078 12.061 12.073 12.120 12.209 12.343 12.515 12.709 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.218 20.696 19.412 18.326 17.396 16.593 15.892 15.273 14.723 14.228 13.781 13.374 13.005 12.668 12.353 12.035 12.000 11.984 11.993 12.030 12.100 12.201 12.331 12.477 12.626 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.195 20.678 19.398 18.313 17.385 16.583 15.884 15.266 14.717 14.224 13.779 13.375 13.008 12.675 12.370 12.005 11.956 11.923 11.908 11.913 11.942 11.996 12.074 12.173 12.286 12.404 12.520 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.172 20.661 19.383 18.300 17.374 16.574 15.875 15.260 14.712 14.220 13.777 13.374 13.010 12.681 12.382 11.982 11.924 11.879 11.848 11.832 11.834 11.856 11.897 11.957 12.034 12.123 12.218 12.316 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.149 20.643 19.369 18.288 17.363 16.564 15.867 15.253 14.706 14.216 13.774 13.374 13.012 12.685 12.391 11.965 11.900 11.846 11.804 11.773 11.757 11.756 11.771 11.803 11.849 11.910 11.980 12.058 12.140 12.224 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.126 20.625 19.354 18.275 17.352 16.555 15.859 15.246 14.700 14.212 13.771 13.372 13.012 12.687 12.396 11.951 11.882 11.821 11.770 11.730 11.700 11.683 11.679 11.689 11.712 11.748 11.796 11.853 11.917 11.987 12.060 99999.999 99999.999 99999.999 99999.999 99999.999 22.103 20.607 19.339 18.262 17.341 16.545 15.850 15.238 14.694 14.207 13.768 13.371 13.012 12.688 12.399 11.940 11.867 11.802 11.745 11.696 11.657 11.628 11.610 11.604 11.609 11.626 11.653 11.691 11.737 11.791 11.850 11.915 11.984 99999.999 99999.999 99999.999 22.079 20.589 19.324 18.249 17.330 16.535 15.842 15.231 14.688 14.203 13.765 13.369 13.011 12.688 12.400 11.931 11.856 11.787 11.724 11.670 11.624 11.586 11.558 11.539 11.530 11.531 11.543 11.564 11.593 11.631 11.676 11.727 11.784 11.846 99999.999 99999.999 22.056 20.571 19.309 18.237 17.318 16.525 15.833 15.224 14.682 14.198 13.761 13.366 13.009 12.687 12.399 11.924 11.846 11.774 11.708 11.649 11.597 11.553 11.516 11.488 11.469 11.458 11.456 11.463 11.478 11.502 11.533 11.570 11.614 11.664 11.720 11.781 22.032 20.553 19.294 18.224 17.307 16.515 15.824 15.216 14.676 14.193 13.757 13.364 13.008 12.686 12.398 11.919 11.839 11.764 11.695 11.633 11.576 11.527 11.484 11.448 11.420 11.400 11.387 11.383 11.386 11.397 11.415 11.440 11.472 11.510 11.554 11.603 21.794 20.370 19.141 18.091 17.190 16.411 15.733 15.136 14.608 14.136 13.713 13.330 12.983 12.669 12.384 11.892 11.805 11.722 11.643 11.566 11.493 11.424 11.357 11.294 11.234 11.177 11.123 11.073 11.025 10.981 10.940 10.903 10.868 10.837 10.809 10.785 21.552 20.184 18.984 17.955 17.069 16.303 15.636 15.050 14.532 14.071 13.658 13.285 12.948 12.641 12.363 11.879 11.792 11.709 11.629 11.551 11.476 11.404 11.334 11.267 11.202 11.139 11.078 11.020 10.963 10.909 10.856 10.805 10.756 10.709 10.663 10.619 21.307 19.994 18.825 17.816 16.945 16.192 15.535 14.960 14.451 13.999 13.595 13.232 12.903 12.605 12.334 11.862 11.777 11.695 11.616 11.540 11.466 11.395 11.326 11.259 11.194 11.131 11.070 11.010 10.953 10.897 10.842 10.789 10.737 10.686 10.637 10.589 21.059 19.802 18.663 17.674 16.819 16.078 15.432 14.866 14.366 13.923 13.528 13.173 12.852 12.562 12.298 11.839 11.756 11.677 11.600 11.525 11.453 11.384 11.316 11.251 11.187 11.126 11.066 11.007 10.951 10.896 10.842 10.789 10.738 10.688 10.639 10.591 20.810 19.609 18.500 17.531 16.691 15.962 15.327 14.770 14.279 13.844 13.456 13.109 12.796 12.513 12.256 11.810 11.729 11.652 11.577 11.505 11.435 11.367 11.302 11.238 11.177 11.117 11.059 11.002 10.947 10.894 10.841 10.790 10.741 10.692 10.644 10.597 20.560 19.415 18.336 17.387 16.562 15.845 15.220 14.672 14.189 13.762 13.381 13.041 12.735 12.459 12.209 11.775 11.697 11.622 11.549 11.479 11.411 11.346 11.282 11.221 11.161 11.103 11.047 10.992 10.939 10.887 10.837 10.787 10.739 10.692 10.646 10.601 20.309 19.220 18.171 17.242 16.432 15.727 15.112 14.573 14.098 13.677 13.304 12.971 12.671 12.402 12.158 11.735 11.660 11.587 11.516 11.448 11.383 11.319 11.258 11.198 11.140 11.084 11.030 10.977 10.926 10.876 10.827 10.779 10.733 10.688 10.644 10.600 99999.999 19.026 18.006 17.097 16.302 15.609 15.003 14.472 14.005 13.592 13.225 12.898 12.605 12.342 12.104 11.692 11.619 11.548 11.479 11.413 11.350 11.288 11.228 11.170 11.115 11.060 11.008 10.957 10.907 10.859 10.812 10.766 10.721 10.678 10.635 10.594 UO2OH,aq UO2OH(AQ) P-T:All Charge = 0. Radius(Å) = 5.00 Alk. = 0.000 Ref: Shock07 4 -2.000 1 -0.250 31 1.000 30 1.500 2 41.500 38.190 35.386 32.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.500 38.190 35.386 32.983 30.900 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.499 38.189 35.385 32.983 30.900 29.075 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.499 38.189 35.385 32.983 30.900 29.075 27.458 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.498 38.188 35.385 32.982 30.900 29.074 27.458 26.013 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.496 38.187 35.384 32.982 30.899 29.074 27.458 26.013 24.708 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.493 38.185 35.382 32.981 30.899 29.074 27.458 26.013 24.709 23.520 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.489 38.183 35.381 32.979 30.898 29.073 27.458 26.014 24.710 23.522 22.424 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.483 38.179 35.378 32.977 30.896 29.073 27.458 26.015 24.712 23.524 22.428 21.401 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.476 38.174 35.375 32.975 30.895 29.072 27.458 26.015 24.714 23.528 22.434 21.411 20.440 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.466 38.168 35.370 32.972 30.892 29.070 27.458 26.016 24.716 23.532 22.441 21.423 20.458 19.539 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.453 38.159 35.364 32.967 30.889 29.069 27.457 26.017 24.719 23.538 22.450 21.437 20.480 19.565 18.715 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.443 38.153 35.359 32.964 30.887 29.067 27.457 26.018 24.721 23.541 22.457 21.448 20.497 19.588 18.695 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.428 38.143 35.352 32.958 30.883 29.065 27.456 26.019 24.724 23.546 22.466 21.463 20.521 19.622 18.722 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.413 38.133 35.345 32.953 30.879 29.062 27.454 26.019 24.726 23.551 22.474 21.476 20.543 19.655 18.768 19.489 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.398 38.123 35.337 32.947 30.875 29.059 27.453 26.019 24.728 23.555 22.481 21.489 20.563 19.687 18.819 18.348 18.639 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.383 38.113 35.330 32.942 30.870 29.056 27.451 26.019 24.729 23.559 22.488 21.500 20.582 19.717 18.869 18.075 18.052 18.164 18.392 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.368 38.103 35.322 32.936 30.866 29.053 27.450 26.019 24.731 23.562 22.494 21.511 20.599 19.744 18.915 17.958 17.835 17.778 17.800 17.890 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.353 38.093 35.315 32.930 30.861 29.050 27.448 26.018 24.732 23.565 22.500 21.520 20.614 19.768 18.958 17.896 17.729 17.599 17.518 17.488 17.501 17.524 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.337 38.082 35.307 32.924 30.857 29.046 27.445 26.017 24.733 23.568 22.505 21.529 20.628 19.790 18.995 17.861 17.669 17.503 17.369 17.270 17.207 17.174 17.151 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.322 38.072 35.299 32.918 30.852 29.043 27.443 26.016 24.733 23.570 22.510 21.537 20.640 19.809 19.028 17.840 17.633 17.446 17.282 17.143 17.032 16.947 16.884 16.832 16.778 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.306 38.061 35.291 32.911 30.847 29.039 27.441 26.015 24.734 23.573 22.514 21.544 20.651 19.826 19.055 17.827 17.611 17.411 17.228 17.065 16.922 16.802 16.703 16.620 16.547 16.478 16.405 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.291 38.050 35.283 32.905 30.842 29.035 27.438 26.014 24.734 23.574 22.518 21.550 20.660 19.840 19.078 17.820 17.598 17.388 17.193 17.014 16.852 16.708 16.581 16.471 16.375 16.289 16.209 16.130 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.275 38.040 35.275 32.898 30.837 29.031 27.435 26.012 24.734 23.576 22.521 21.556 20.669 19.852 19.097 17.817 17.590 17.374 17.171 16.981 16.805 16.644 16.498 16.367 16.250 16.146 16.050 15.962 15.879 15.798 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.259 38.029 35.266 32.892 30.831 29.027 27.432 26.011 24.733 23.577 22.524 21.560 20.676 19.862 19.111 17.817 17.586 17.366 17.157 16.959 16.774 16.601 16.441 16.294 16.160 16.039 15.928 15.827 15.734 15.646 15.564 99999.999 99999.999 99999.999 99999.999 99999.999 41.243 38.018 35.258 32.885 30.826 29.023 27.429 26.009 24.733 23.578 22.527 21.565 20.682 19.870 19.123 17.818 17.585 17.362 17.148 16.945 16.752 16.571 16.401 16.242 16.096 15.960 15.836 15.722 15.616 15.519 15.429 15.346 15.270 99999.999 99999.999 99999.999 41.227 38.007 35.249 32.878 30.821 29.019 27.426 26.007 24.732 23.579 22.529 21.569 20.688 19.877 19.132 17.821 17.586 17.360 17.143 16.936 16.738 16.550 16.373 16.205 16.049 15.902 15.767 15.641 15.524 15.416 15.317 15.225 15.141 15.064 99999.999 99999.999 41.211 37.995 35.241 32.871 30.815 29.014 27.423 26.005 24.731 23.579 22.531 21.572 20.692 19.883 19.139 17.825 17.588 17.360 17.141 16.931 16.729 16.536 16.353 16.179 16.015 15.860 15.715 15.579 15.452 15.334 15.225 15.124 15.031 14.946 14.868 14.799 41.195 37.984 35.232 32.864 30.809 29.010 27.419 26.003 24.730 23.580 22.533 21.575 20.697 19.889 19.145 17.829 17.592 17.362 17.141 16.928 16.724 16.528 16.340 16.161 15.990 15.828 15.676 15.532 15.396 15.270 15.152 15.042 14.940 14.846 14.760 14.682 41.029 37.868 35.141 32.790 30.748 28.959 27.380 25.973 24.712 23.574 22.539 21.594 20.728 19.931 19.195 17.883 17.644 17.411 17.185 16.965 16.751 16.543 16.341 16.145 15.954 15.768 15.588 15.413 15.243 15.078 14.917 14.762 14.612 14.466 14.326 14.190 40.857 37.745 35.044 32.710 30.680 28.902 27.332 25.935 24.684 23.555 22.531 21.597 20.741 19.954 19.228 17.931 17.694 17.463 17.238 17.020 16.807 16.600 16.398 16.201 16.009 15.822 15.639 15.460 15.286 15.115 14.949 14.786 14.627 14.471 14.319 14.170 40.681 37.619 34.943 32.625 30.608 28.839 27.278 25.890 24.647 23.527 22.513 21.588 20.741 19.963 19.246 17.965 17.731 17.503 17.281 17.065 16.855 16.650 16.451 16.256 16.066 15.880 15.699 15.522 15.349 15.179 15.013 14.851 14.692 14.536 14.383 14.233 40.502 37.488 34.838 32.536 30.531 28.773 27.220 25.840 24.605 23.493 22.486 21.570 20.732 19.962 19.252 17.987 17.756 17.531 17.312 17.099 16.891 16.689 16.492 16.300 16.112 15.929 15.751 15.576 15.405 15.238 15.074 14.914 14.757 14.603 14.452 14.304 40.320 37.356 34.730 32.445 30.452 28.703 27.158 25.786 24.558 23.453 22.453 21.545 20.714 19.952 19.250 17.999 17.770 17.548 17.331 17.121 16.916 16.717 16.522 16.333 16.148 15.967 15.791 15.619 15.451 15.286 15.125 14.967 14.812 14.661 14.512 14.366 40.137 37.221 34.620 32.351 30.370 28.631 27.094 25.729 24.508 23.409 22.416 21.514 20.690 19.935 19.240 18.002 17.776 17.556 17.342 17.134 16.932 16.735 16.543 16.356 16.173 15.995 15.821 15.652 15.486 15.323 15.164 15.009 14.857 14.708 14.561 14.418 39.952 37.085 34.509 32.256 30.286 28.556 27.028 25.669 24.455 23.363 22.376 21.480 20.662 19.913 19.224 17.998 17.774 17.557 17.345 17.140 16.939 16.745 16.555 16.370 16.190 16.014 15.842 15.675 15.511 15.351 15.194 15.041 14.891 14.744 14.600 14.459 99999.999 36.949 34.397 32.159 30.201 28.481 26.960 25.608 24.400 23.314 22.332 21.442 20.630 19.886 19.203 17.988 17.766 17.551 17.342 17.138 16.940 16.748 16.560 16.377 16.199 16.025 15.855 15.690 15.528 15.370 15.215 15.064 14.916 14.771 14.629 14.490 UO2OH+ UO2OH+ P-T:All Charge = 1. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 3 -1.000 1 1.000 30 1.000 2 5.933 5.217 4.644 4.178 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.933 5.217 4.644 4.178 3.791 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.933 5.217 4.644 4.178 3.791 3.466 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.933 5.217 4.644 4.178 3.791 3.466 3.189 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.932 5.217 4.644 4.178 3.791 3.467 3.190 2.949 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.931 5.217 4.644 4.178 3.792 3.467 3.190 2.950 2.739 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.930 5.216 4.644 4.178 3.792 3.467 3.191 2.951 2.740 2.550 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.928 5.215 4.644 4.178 3.792 3.468 3.191 2.952 2.741 2.552 2.376 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.926 5.214 4.644 4.178 3.793 3.469 3.193 2.953 2.743 2.554 2.380 2.213 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.922 5.213 4.643 4.178 3.793 3.470 3.194 2.955 2.746 2.557 2.384 2.219 2.059 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.917 5.211 4.643 4.179 3.794 3.471 3.196 2.958 2.749 2.562 2.390 2.227 2.069 1.925 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.910 5.208 4.642 4.179 3.795 3.473 3.198 2.961 2.753 2.567 2.397 2.237 2.082 1.934 1.844 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.905 5.206 4.641 4.179 3.795 3.474 3.200 2.963 2.756 2.571 2.402 2.244 2.092 1.945 1.807 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.898 5.203 4.639 4.178 3.796 3.475 3.202 2.966 2.759 2.576 2.409 2.254 2.107 1.963 1.807 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.890 5.199 4.638 4.178 3.797 3.476 3.204 2.969 2.763 2.581 2.416 2.264 2.121 1.983 1.827 3.550 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.882 5.195 4.636 4.177 3.797 3.477 3.205 2.971 2.767 2.585 2.422 2.273 2.134 2.001 1.854 2.489 2.973 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.874 5.192 4.634 4.177 3.797 3.478 3.207 2.974 2.770 2.590 2.428 2.282 2.147 2.019 1.882 2.230 2.421 2.737 3.181 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.866 5.188 4.632 4.176 3.797 3.479 3.208 2.976 2.773 2.594 2.434 2.290 2.158 2.036 1.909 2.114 2.212 2.367 2.598 2.899 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.858 5.184 4.630 4.175 3.797 3.479 3.210 2.978 2.776 2.598 2.439 2.297 2.169 2.052 1.934 2.048 2.104 2.192 2.322 2.500 2.722 2.965 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.849 5.179 4.628 4.174 3.797 3.480 3.211 2.980 2.778 2.601 2.444 2.304 2.178 2.065 1.957 2.008 2.040 2.093 2.172 2.282 2.425 2.597 2.785 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.840 5.175 4.626 4.173 3.796 3.480 3.212 2.981 2.781 2.605 2.449 2.310 2.187 2.078 1.977 1.981 1.999 2.032 2.081 2.152 2.246 2.363 2.502 2.653 2.807 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.832 5.170 4.623 4.171 3.796 3.480 3.213 2.983 2.783 2.608 2.453 2.316 2.195 2.088 1.993 1.963 1.971 1.991 2.022 2.069 2.132 2.213 2.312 2.426 2.551 2.680 2.808 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.823 5.166 4.620 4.170 3.795 3.480 3.213 2.984 2.785 2.611 2.457 2.321 2.201 2.098 2.007 1.950 1.952 1.962 1.982 2.012 2.055 2.112 2.183 2.268 2.364 2.470 2.580 2.692 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.814 5.161 4.618 4.168 3.794 3.480 3.214 2.985 2.787 2.614 2.461 2.326 2.208 2.106 2.019 1.942 1.939 1.942 1.953 1.973 2.002 2.041 2.092 2.155 2.229 2.312 2.403 2.499 2.598 2.698 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.804 5.156 4.615 4.167 3.793 3.480 3.214 2.986 2.789 2.616 2.464 2.330 2.213 2.112 2.028 1.936 1.929 1.928 1.933 1.944 1.963 1.991 2.028 2.074 2.129 2.194 2.267 2.347 2.432 2.520 2.611 99999.999 99999.999 99999.999 99999.999 99999.999 5.795 5.151 4.612 4.165 3.792 3.480 3.215 2.987 2.791 2.619 2.467 2.334 2.218 2.118 2.034 1.932 1.923 1.918 1.918 1.923 1.935 1.954 1.980 2.014 2.056 2.106 2.163 2.228 2.299 2.374 2.454 2.538 2.624 99999.999 99999.999 99999.999 5.786 5.146 4.609 4.163 3.791 3.479 3.215 2.988 2.792 2.621 2.470 2.338 2.222 2.123 2.040 1.930 1.918 1.911 1.907 1.908 1.915 1.926 1.945 1.969 2.000 2.039 2.084 2.136 2.193 2.257 2.325 2.398 2.475 2.555 99999.999 99999.999 5.776 5.141 4.605 4.161 3.790 3.479 3.215 2.989 2.794 2.623 2.473 2.342 2.226 2.127 2.044 1.930 1.916 1.906 1.899 1.897 1.899 1.906 1.918 1.935 1.958 1.987 2.022 2.063 2.110 2.163 2.220 2.282 2.349 2.420 2.494 2.572 5.766 5.135 4.602 4.159 3.789 3.478 3.215 2.990 2.795 2.625 2.476 2.345 2.230 2.131 2.048 1.930 1.914 1.902 1.894 1.889 1.887 1.890 1.897 1.909 1.926 1.947 1.975 2.007 2.044 2.087 2.135 2.188 2.244 2.306 2.371 2.440 5.664 5.077 4.564 4.133 3.771 3.467 3.210 2.990 2.801 2.638 2.495 2.370 2.260 2.165 2.082 1.952 1.931 1.912 1.895 1.879 1.865 1.853 1.842 1.832 1.825 1.818 1.814 1.811 1.810 1.811 1.813 1.818 1.824 1.832 1.842 1.854 5.554 5.011 4.518 4.099 3.746 3.449 3.197 2.982 2.799 2.641 2.504 2.384 2.280 2.188 2.109 1.982 1.961 1.941 1.923 1.906 1.890 1.875 1.861 1.848 1.836 1.825 1.815 1.806 1.798 1.791 1.784 1.778 1.773 1.769 1.765 1.762 5.436 4.938 4.467 4.060 3.716 3.425 3.178 2.969 2.790 2.637 2.504 2.390 2.290 2.204 2.128 2.007 1.987 1.968 1.950 1.934 1.918 1.903 1.889 1.877 1.864 1.853 1.842 1.832 1.823 1.814 1.805 1.797 1.790 1.783 1.776 1.770 5.314 4.861 4.411 4.017 3.681 3.396 3.155 2.950 2.776 2.627 2.499 2.389 2.294 2.212 2.140 2.026 2.007 1.990 1.973 1.957 1.943 1.929 1.916 1.904 1.892 1.881 1.871 1.861 1.852 1.844 1.836 1.828 1.820 1.813 1.806 1.800 5.188 4.780 4.352 3.970 3.643 3.365 3.128 2.928 2.758 2.613 2.489 2.383 2.292 2.214 2.147 2.040 2.022 2.005 1.990 1.975 1.962 1.949 1.937 1.926 1.916 1.906 1.897 1.888 1.880 1.872 1.865 1.858 1.851 1.845 1.839 1.833 5.059 4.696 4.290 3.921 3.602 3.330 3.099 2.903 2.737 2.596 2.476 2.373 2.286 2.211 2.148 2.048 2.031 2.016 2.002 1.988 1.976 1.964 1.954 1.944 1.934 1.925 1.917 1.910 1.903 1.896 1.890 1.884 1.878 1.873 1.868 1.863 4.927 4.610 4.225 3.869 3.559 3.293 3.068 2.876 2.714 2.576 2.459 2.360 2.276 2.205 2.145 2.051 2.036 2.022 2.009 1.997 1.985 1.975 1.965 1.956 1.948 1.940 1.933 1.927 1.921 1.915 1.910 1.905 1.900 1.896 1.892 1.888 99999.999 4.522 4.158 3.815 3.514 3.255 3.034 2.847 2.688 2.554 2.440 2.345 2.264 2.196 2.139 2.051 2.037 2.024 2.012 2.001 1.991 1.982 1.973 1.965 1.958 1.951 1.945 1.940 1.934 1.930 1.926 1.922 1.918 1.915 1.912 1.909 UO4-2 UO4-2 P-T:All Charge =-2. Radius(Å) = 5.00 Alk. = 0.000 Ref: Shock07 3 -4.000 1 1.000 30 2.000 2 35.391 33.026 31.156 29.651 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.391 33.026 31.156 29.651 28.432 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.391 33.025 31.155 29.651 28.431 27.440 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.389 33.024 31.154 29.650 28.430 27.439 26.635 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.387 33.022 31.152 29.648 28.429 27.437 26.633 25.988 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.383 33.019 31.149 29.646 28.426 27.434 26.630 25.984 25.478 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.377 33.014 31.145 29.641 28.422 27.430 26.625 25.979 25.472 25.091 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.368 33.007 31.139 29.636 28.416 27.424 26.619 25.972 25.464 25.081 24.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.357 32.998 31.131 29.628 28.408 27.416 26.610 25.962 25.452 25.067 24.805 24.675 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.341 32.986 31.119 29.617 28.397 27.404 26.598 25.949 25.437 25.049 24.782 24.643 24.664 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.320 32.969 31.105 29.603 28.383 27.390 26.583 25.932 25.418 25.026 24.752 24.603 24.601 24.831 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.294 32.948 31.085 29.585 28.365 27.371 26.563 25.910 25.393 24.997 24.716 24.553 24.527 24.696 25.331 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.273 32.931 31.070 29.570 28.351 27.357 26.548 25.894 25.374 24.974 24.688 24.516 24.474 24.606 25.088 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.243 32.907 31.049 29.550 28.331 27.336 26.526 25.870 25.347 24.943 24.649 24.466 24.403 24.492 24.848 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.214 32.883 31.028 29.530 28.311 27.316 26.504 25.846 25.321 24.912 24.612 24.418 24.337 24.392 24.664 27.695 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.184 32.859 31.006 29.509 28.291 27.295 26.483 25.823 25.295 24.883 24.577 24.373 24.276 24.303 24.511 25.751 26.768 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.154 32.835 30.984 29.489 28.271 27.275 26.461 25.800 25.269 24.853 24.542 24.330 24.219 24.221 24.380 25.189 25.672 26.419 27.550 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.124 32.811 30.963 29.469 28.251 27.255 26.440 25.777 25.244 24.825 24.508 24.288 24.165 24.146 24.265 24.867 25.180 25.613 26.218 27.047 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.094 32.787 30.941 29.448 28.231 27.234 26.419 25.755 25.219 24.797 24.476 24.249 24.114 24.077 24.162 24.639 24.869 25.170 25.564 26.081 26.743 27.552 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.064 32.762 30.920 29.428 28.211 27.214 26.398 25.732 25.195 24.769 24.444 24.210 24.066 24.013 24.070 24.460 24.641 24.870 25.158 25.522 25.977 26.533 27.188 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.035 32.738 30.898 29.408 28.191 27.194 26.377 25.710 25.171 24.743 24.413 24.173 24.020 23.954 23.987 24.313 24.460 24.643 24.869 25.146 25.484 25.892 26.373 26.925 27.538 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.005 32.714 30.877 29.387 28.171 27.174 26.357 25.688 25.147 24.716 24.383 24.138 23.976 23.898 23.911 24.186 24.309 24.461 24.645 24.867 25.133 25.448 25.818 26.244 26.722 27.245 27.799 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.975 32.690 30.855 29.367 28.151 27.154 26.336 25.667 25.124 24.690 24.353 24.103 23.935 23.846 23.841 24.075 24.179 24.307 24.461 24.645 24.863 25.118 25.414 25.754 26.136 26.557 27.012 27.491 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.945 32.665 30.833 29.347 28.132 27.134 26.315 25.645 25.100 24.664 24.324 24.070 23.895 23.797 23.778 23.975 24.065 24.175 24.306 24.462 24.645 24.858 25.103 25.381 25.694 26.041 26.418 26.820 27.241 27.672 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.915 32.641 30.812 29.326 28.112 27.115 26.295 25.624 25.077 24.639 24.296 24.037 23.857 23.751 23.719 23.884 23.962 24.057 24.171 24.306 24.463 24.644 24.851 25.086 25.349 25.639 25.957 26.297 26.657 27.031 27.414 99999.999 99999.999 99999.999 99999.999 99999.999 34.886 32.617 30.790 29.306 28.092 27.095 26.275 25.602 25.055 24.614 24.268 24.006 23.820 23.707 23.665 23.801 23.869 23.952 24.052 24.169 24.306 24.463 24.641 24.843 25.068 25.316 25.587 25.880 26.190 26.515 26.851 27.194 27.537 99999.999 99999.999 99999.999 34.856 32.593 30.768 29.286 28.072 27.075 26.255 25.581 25.032 24.590 24.241 23.975 23.784 23.665 23.614 23.723 23.783 23.856 23.944 24.048 24.168 24.306 24.462 24.637 24.833 25.048 25.284 25.537 25.808 26.093 26.390 26.694 27.003 27.313 99999.999 99999.999 34.826 32.568 30.747 29.265 28.053 27.055 26.235 25.560 25.010 24.565 24.214 23.945 23.750 23.624 23.566 23.651 23.703 23.768 23.846 23.938 24.045 24.167 24.305 24.460 24.632 24.822 25.028 25.251 25.489 25.741 26.004 26.276 26.554 26.835 27.116 27.395 34.796 32.544 30.725 29.245 28.033 27.036 26.215 25.539 24.988 24.542 24.188 23.915 23.716 23.586 23.520 23.583 23.629 23.686 23.756 23.838 23.933 24.042 24.166 24.304 24.457 24.626 24.809 25.007 25.219 25.443 25.678 25.922 26.173 26.428 26.685 26.942 34.499 32.301 30.508 29.042 27.837 26.843 26.019 25.338 24.776 24.316 23.943 23.646 23.417 23.248 23.134 23.056 23.063 23.077 23.099 23.128 23.165 23.208 23.258 23.316 23.381 23.452 23.530 23.615 23.706 23.803 23.907 24.015 24.129 24.248 24.371 24.498 34.204 32.059 30.292 28.841 27.645 26.654 25.830 25.146 24.578 24.108 23.723 23.410 23.161 22.969 22.826 22.673 22.662 22.657 22.657 22.663 22.675 22.692 22.714 22.742 22.774 22.812 22.854 22.901 22.952 23.008 23.068 23.132 23.199 23.271 23.345 23.423 33.910 31.817 30.077 28.642 27.454 26.468 25.647 24.961 24.390 23.914 23.520 23.196 22.934 22.725 22.564 22.363 22.340 22.323 22.311 22.304 22.301 22.303 22.310 22.321 22.337 22.356 22.380 22.407 22.438 22.473 22.511 22.553 22.597 22.645 22.696 22.749 33.619 31.577 29.863 28.444 27.266 26.286 25.467 24.783 24.209 23.730 23.330 22.998 22.726 22.506 22.331 22.097 22.066 22.041 22.020 22.004 21.992 21.985 21.982 21.982 21.987 21.995 22.007 22.022 22.041 22.063 22.088 22.116 22.147 22.180 22.217 22.256 33.328 31.338 29.651 28.248 27.080 26.107 25.292 24.609 24.035 23.553 23.149 22.812 22.533 22.304 22.119 21.860 21.824 21.793 21.766 21.744 21.726 21.712 21.701 21.695 21.692 21.692 21.696 21.703 21.713 21.726 21.743 21.761 21.783 21.807 21.834 21.863 33.038 31.100 29.440 28.053 26.896 25.930 25.120 24.439 23.865 23.382 22.976 22.635 22.351 22.115 21.923 21.646 21.606 21.570 21.539 21.512 21.489 21.470 21.454 21.442 21.434 21.428 21.426 21.428 21.432 21.439 21.448 21.461 21.476 21.493 21.513 21.536 32.749 30.863 29.231 27.860 26.715 25.756 24.950 24.272 23.700 23.217 22.810 22.466 22.178 21.938 21.739 21.449 21.405 21.366 21.331 21.301 21.274 21.251 21.231 21.215 21.203 21.193 21.187 21.184 21.183 21.185 21.190 21.198 21.208 21.221 21.236 21.253 99999.999 30.627 29.022 27.669 26.535 25.583 24.784 24.109 23.539 23.057 22.649 22.304 22.013 21.769 21.566 21.264 21.219 21.177 21.139 21.106 21.076 21.050 21.028 21.009 20.993 20.980 20.970 20.963 20.959 20.958 20.960 20.963 20.970 20.979 20.990 21.003 HUO4- HUO4- P-T:All Charge =-1. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 3 -3.000 1 1.000 30 2.000 2 20.423 19.245 18.282 17.486 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.423 19.245 18.282 17.486 16.824 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.422 19.245 18.281 17.486 16.824 16.270 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.421 19.244 18.281 17.485 16.823 16.270 15.806 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.419 19.242 18.279 17.484 16.822 16.268 15.804 15.416 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.415 19.239 18.277 17.482 16.820 16.266 15.802 15.414 15.091 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.410 19.235 18.273 17.478 16.817 16.263 15.799 15.411 15.087 14.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.402 19.229 18.268 17.474 16.812 16.259 15.795 15.406 15.082 14.817 14.608 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.392 19.221 18.261 17.467 16.806 16.253 15.789 15.400 15.076 14.810 14.599 14.447 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.378 19.210 18.251 17.458 16.798 16.245 15.781 15.392 15.067 14.800 14.588 14.432 14.346 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.359 19.196 18.239 17.447 16.787 16.234 15.770 15.381 15.056 14.788 14.574 14.414 14.319 14.330 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.336 19.177 18.222 17.432 16.773 16.221 15.757 15.367 15.041 14.772 14.555 14.391 14.287 14.269 14.483 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.317 19.162 18.210 17.420 16.762 16.210 15.746 15.356 15.030 14.759 14.541 14.374 14.264 14.230 14.353 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.290 19.141 18.191 17.404 16.746 16.195 15.731 15.340 15.013 14.742 14.522 14.351 14.233 14.182 14.241 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.263 19.120 18.173 17.387 16.730 16.179 15.715 15.325 14.997 14.725 14.502 14.329 14.205 14.141 14.163 16.237 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.236 19.098 18.154 17.370 16.714 16.164 15.700 15.309 14.981 14.708 14.484 14.307 14.178 14.105 14.102 14.901 15.557 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.209 19.077 18.136 17.353 16.698 16.148 15.685 15.294 14.965 14.691 14.465 14.286 14.153 14.071 14.052 14.526 14.817 15.279 15.959 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.182 19.055 18.117 17.336 16.682 16.133 15.670 15.279 14.949 14.674 14.447 14.265 14.129 14.041 14.008 14.322 14.496 14.748 15.109 15.596 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.155 19.034 18.098 17.319 16.666 16.117 15.654 15.263 14.934 14.657 14.429 14.246 14.106 14.012 13.969 14.183 14.301 14.464 14.687 14.985 15.364 15.811 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.127 19.012 18.079 17.301 16.650 16.102 15.639 15.248 14.918 14.641 14.412 14.226 14.083 13.984 13.933 14.079 14.163 14.278 14.432 14.632 14.886 15.196 15.554 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.100 18.990 18.060 17.284 16.634 16.086 15.624 15.233 14.902 14.625 14.394 14.207 14.061 13.958 13.900 13.994 14.057 14.143 14.255 14.399 14.580 14.801 15.063 15.361 15.682 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.073 18.969 18.042 17.267 16.617 16.070 15.608 15.217 14.887 14.609 14.377 14.188 14.040 13.933 13.869 13.924 13.971 14.036 14.121 14.230 14.365 14.530 14.727 14.953 15.207 15.479 15.763 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.045 18.947 18.023 17.250 16.601 16.055 15.593 15.202 14.871 14.592 14.360 14.169 14.019 13.908 13.839 13.862 13.898 13.949 14.015 14.099 14.203 14.331 14.482 14.659 14.858 15.078 15.313 15.558 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.018 18.925 18.003 17.232 16.585 16.039 15.578 15.187 14.856 14.577 14.343 14.151 13.999 13.885 13.810 13.808 13.835 13.874 13.926 13.993 14.076 14.176 14.296 14.436 14.596 14.774 14.967 15.174 15.388 15.606 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.990 18.903 17.984 17.215 16.568 16.023 15.562 15.172 14.840 14.561 14.326 14.133 13.979 13.862 13.783 13.759 13.779 13.809 13.851 13.904 13.971 14.052 14.148 14.261 14.391 14.536 14.697 14.869 15.052 15.242 15.436 99999.999 99999.999 99999.999 99999.999 99999.999 19.963 18.881 17.965 17.197 16.552 16.008 15.547 15.156 14.825 14.545 14.310 14.115 13.959 13.839 13.757 13.715 13.729 13.752 13.785 13.828 13.882 13.948 14.027 14.120 14.226 14.346 14.480 14.625 14.781 14.945 15.114 15.287 15.462 99999.999 99999.999 99999.999 19.935 18.859 17.946 17.180 16.536 15.992 15.532 15.141 14.810 14.529 14.293 14.098 13.940 13.818 13.731 13.674 13.683 13.700 13.726 13.760 13.805 13.859 13.925 14.002 14.090 14.191 14.303 14.426 14.559 14.700 14.848 15.001 15.156 15.314 99999.999 99999.999 19.907 18.837 17.927 17.162 16.519 15.976 15.516 15.126 14.794 14.514 14.277 14.081 13.921 13.796 13.706 13.636 13.641 13.653 13.673 13.701 13.737 13.782 13.837 13.901 13.976 14.060 14.155 14.260 14.374 14.496 14.625 14.759 14.898 15.039 15.181 15.324 19.879 18.815 17.907 17.145 16.503 15.960 15.501 15.111 14.779 14.498 14.261 14.063 13.902 13.775 13.682 13.600 13.602 13.610 13.625 13.647 13.676 13.714 13.759 13.814 13.877 13.949 14.030 14.120 14.218 14.323 14.436 14.554 14.677 14.803 14.932 15.061 19.600 18.591 17.712 16.967 16.337 15.802 15.347 14.960 14.629 14.346 14.105 13.901 13.729 13.588 13.474 13.323 13.305 13.290 13.280 13.273 13.270 13.271 13.275 13.284 13.296 13.312 13.331 13.354 13.381 13.411 13.445 13.482 13.522 13.565 13.611 13.659 19.319 18.364 17.514 16.787 16.169 15.643 15.194 14.810 14.481 14.198 13.956 13.749 13.572 13.423 13.299 13.117 13.090 13.067 13.046 13.029 13.014 13.002 12.992 12.986 12.982 12.980 12.981 12.984 12.990 12.997 13.007 13.019 13.033 13.049 13.067 13.086 19.036 18.136 17.315 16.606 16.000 15.483 15.040 14.661 14.335 14.054 13.812 13.603 13.424 13.271 13.141 12.943 12.912 12.883 12.858 12.834 12.814 12.795 12.779 12.765 12.753 12.743 12.736 12.730 12.726 12.723 12.723 12.724 12.726 12.731 12.736 12.743 18.753 17.907 17.115 16.424 15.831 15.323 14.888 14.513 14.191 13.912 13.671 13.463 13.283 13.128 12.995 12.786 12.753 12.722 12.693 12.666 12.642 12.620 12.600 12.582 12.566 12.551 12.539 12.528 12.518 12.511 12.504 12.500 12.496 12.494 12.493 12.493 18.468 17.677 16.914 16.242 15.662 15.164 14.735 14.367 14.048 13.772 13.533 13.326 13.146 12.991 12.856 12.642 12.607 12.574 12.543 12.515 12.488 12.464 12.441 12.421 12.402 12.385 12.369 12.355 12.343 12.332 12.322 12.314 12.306 12.301 12.296 12.292 18.183 17.447 16.713 16.060 15.493 15.005 14.584 14.221 13.907 13.635 13.398 13.193 13.014 12.858 12.723 12.506 12.469 12.436 12.404 12.374 12.346 12.321 12.297 12.274 12.254 12.235 12.217 12.201 12.187 12.174 12.162 12.151 12.142 12.133 12.126 12.120 17.898 17.217 16.512 15.878 15.325 14.846 14.433 14.076 13.767 13.499 13.265 13.061 12.884 12.729 12.594 12.376 12.339 12.305 12.272 12.242 12.213 12.186 12.161 12.138 12.116 12.096 12.078 12.060 12.044 12.030 12.017 12.004 11.994 11.984 11.975 11.967 99999.999 16.987 16.312 15.696 15.157 14.689 14.284 13.933 13.629 13.364 13.134 12.933 12.757 12.603 12.469 12.251 12.214 12.179 12.146 12.115 12.086 12.059 12.034 12.010 11.987 11.966 11.947 11.929 11.912 11.897 11.882 11.869 11.857 11.847 11.837 11.828 UO2+ UO2+ P-T:All Charge = 1. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 5 -1.125 1 1.000 30 0.500 2 0.125 6 -0.125 4 3.186 2.738 2.425 2.200 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.186 2.738 2.425 2.200 2.038 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.186 2.738 2.425 2.200 2.038 1.922 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.186 2.738 2.425 2.200 2.038 1.922 1.838 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.185 2.737 2.424 2.200 2.038 1.922 1.838 1.780 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.184 2.737 2.424 2.200 2.038 1.922 1.838 1.780 1.741 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.182 2.736 2.424 2.200 2.038 1.922 1.839 1.781 1.741 1.715 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.179 2.734 2.423 2.199 2.038 1.922 1.839 1.781 1.742 1.716 1.699 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.176 2.732 2.422 2.199 2.038 1.922 1.839 1.782 1.743 1.717 1.701 1.689 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.171 2.730 2.420 2.198 2.037 1.922 1.839 1.782 1.744 1.719 1.703 1.692 1.687 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.165 2.727 2.418 2.197 2.037 1.922 1.840 1.783 1.745 1.721 1.706 1.697 1.692 1.703 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.157 2.722 2.416 2.195 2.036 1.921 1.840 1.784 1.747 1.724 1.710 1.702 1.699 1.704 1.772 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.151 2.719 2.414 2.194 2.035 1.921 1.841 1.785 1.748 1.726 1.713 1.706 1.704 1.708 1.732 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.142 2.714 2.411 2.192 2.034 1.921 1.841 1.786 1.750 1.728 1.717 1.712 1.712 1.717 1.720 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.132 2.709 2.408 2.190 2.033 1.921 1.841 1.787 1.752 1.731 1.720 1.717 1.720 1.727 1.727 3.397 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.123 2.704 2.404 2.188 2.032 1.920 1.841 1.788 1.753 1.733 1.724 1.723 1.728 1.738 1.740 2.484 2.944 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.114 2.698 2.401 2.186 2.031 1.919 1.841 1.788 1.754 1.735 1.727 1.727 1.735 1.748 1.756 2.258 2.466 2.782 3.216 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.104 2.693 2.398 2.184 2.029 1.919 1.841 1.789 1.756 1.737 1.730 1.732 1.742 1.758 1.772 2.153 2.281 2.458 2.701 3.010 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.095 2.688 2.394 2.182 2.028 1.918 1.841 1.789 1.757 1.739 1.733 1.736 1.748 1.767 1.786 2.092 2.184 2.303 2.458 2.655 2.893 3.154 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.085 2.682 2.391 2.179 2.026 1.917 1.841 1.790 1.758 1.741 1.735 1.740 1.753 1.775 1.800 2.053 2.124 2.213 2.323 2.461 2.627 2.821 3.032 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.075 2.677 2.387 2.177 2.025 1.916 1.841 1.790 1.759 1.742 1.738 1.743 1.758 1.782 1.812 2.026 2.085 2.155 2.240 2.343 2.466 2.611 2.774 2.951 3.132 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.066 2.671 2.384 2.175 2.023 1.915 1.840 1.790 1.759 1.744 1.740 1.746 1.763 1.788 1.822 2.007 2.057 2.115 2.185 2.266 2.362 2.474 2.602 2.744 2.896 3.053 3.209 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.056 2.666 2.380 2.172 2.022 1.914 1.840 1.790 1.760 1.745 1.742 1.749 1.766 1.794 1.830 1.993 2.037 2.087 2.146 2.213 2.291 2.382 2.484 2.599 2.724 2.858 2.997 3.137 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.046 2.660 2.376 2.170 2.020 1.913 1.839 1.790 1.761 1.746 1.744 1.752 1.770 1.798 1.836 1.983 2.022 2.066 2.117 2.175 2.241 2.316 2.400 2.495 2.599 2.712 2.832 2.957 3.084 3.212 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.036 2.654 2.373 2.167 2.018 1.912 1.839 1.790 1.761 1.747 1.745 1.754 1.773 1.801 1.841 1.975 2.010 2.051 2.096 2.146 2.203 2.268 2.339 2.419 2.507 2.603 2.706 2.815 2.928 3.044 3.163 99999.999 99999.999 99999.999 99999.999 99999.999 3.026 2.648 2.369 2.164 2.016 1.911 1.838 1.790 1.762 1.748 1.747 1.756 1.775 1.804 1.844 1.969 2.002 2.039 2.079 2.125 2.175 2.231 2.294 2.362 2.438 2.521 2.610 2.704 2.804 2.908 3.016 3.126 3.237 99999.999 99999.999 99999.999 3.016 2.642 2.365 2.162 2.014 1.910 1.837 1.790 1.762 1.749 1.748 1.758 1.777 1.807 1.846 1.964 1.995 2.029 2.067 2.108 2.154 2.204 2.259 2.319 2.385 2.457 2.535 2.618 2.706 2.799 2.895 2.995 3.098 3.202 99999.999 99999.999 3.006 2.636 2.361 2.159 2.012 1.908 1.837 1.790 1.762 1.750 1.750 1.760 1.779 1.809 1.848 1.961 1.990 2.022 2.057 2.095 2.137 2.182 2.232 2.286 2.344 2.408 2.476 2.550 2.628 2.711 2.797 2.887 2.981 3.077 3.175 3.276 2.995 2.630 2.357 2.156 2.010 1.907 1.836 1.790 1.763 1.751 1.751 1.761 1.781 1.811 1.849 1.959 1.987 2.017 2.050 2.085 2.123 2.165 2.210 2.259 2.312 2.369 2.430 2.496 2.565 2.639 2.717 2.799 2.883 2.971 3.061 3.154 2.890 2.568 2.314 2.125 1.988 1.891 1.825 1.783 1.761 1.754 1.759 1.773 1.797 1.827 1.865 1.960 1.982 2.005 2.028 2.053 2.079 2.106 2.134 2.163 2.193 2.224 2.256 2.290 2.324 2.360 2.397 2.435 2.474 2.515 2.557 2.600 2.781 2.501 2.268 2.091 1.961 1.870 1.809 1.773 1.755 1.752 1.761 1.779 1.806 1.839 1.879 1.973 1.994 2.016 2.038 2.061 2.084 2.108 2.133 2.158 2.184 2.209 2.236 2.263 2.290 2.317 2.345 2.374 2.402 2.431 2.461 2.490 2.669 2.432 2.219 2.054 1.932 1.847 1.791 1.759 1.745 1.746 1.758 1.781 1.810 1.847 1.889 1.986 2.008 2.029 2.052 2.075 2.098 2.121 2.145 2.170 2.194 2.219 2.244 2.269 2.295 2.320 2.346 2.372 2.398 2.424 2.450 2.476 2.553 2.360 2.167 2.014 1.901 1.822 1.770 1.742 1.732 1.736 1.752 1.778 1.811 1.850 1.895 1.997 2.019 2.041 2.064 2.088 2.111 2.135 2.159 2.184 2.208 2.233 2.258 2.284 2.309 2.334 2.359 2.385 2.410 2.436 2.461 2.486 2.436 2.286 2.114 1.973 1.868 1.794 1.748 1.723 1.716 1.724 1.743 1.772 1.808 1.851 1.898 2.005 2.027 2.051 2.074 2.098 2.122 2.147 2.172 2.197 2.222 2.247 2.273 2.298 2.324 2.350 2.375 2.401 2.427 2.452 2.478 2.503 2.317 2.211 2.059 1.930 1.833 1.765 1.724 1.703 1.700 1.710 1.733 1.764 1.803 1.848 1.898 2.009 2.033 2.057 2.081 2.106 2.131 2.156 2.182 2.207 2.233 2.259 2.285 2.312 2.338 2.364 2.390 2.416 2.443 2.469 2.495 2.521 2.197 2.134 2.003 1.886 1.797 1.735 1.698 1.681 1.681 1.695 1.720 1.754 1.796 1.843 1.896 2.011 2.036 2.061 2.086 2.111 2.137 2.163 2.189 2.216 2.242 2.269 2.296 2.322 2.349 2.376 2.403 2.430 2.457 2.483 2.510 2.536 99999.999 2.057 1.946 1.841 1.760 1.704 1.672 1.659 1.662 1.678 1.706 1.742 1.786 1.836 1.891 2.011 2.036 2.062 2.088 2.114 2.141 2.167 2.194 2.221 2.249 2.276 2.303 2.331 2.358 2.386 2.413 2.441 2.468 2.495 2.523 2.550 UO2+ UO2+ P-T:All Charge = 1. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 4 -1.000 1 1.000 30 0.500 2 -0.250 31 22.199 20.027 18.230 16.715 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.199 20.027 18.230 16.715 15.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.199 20.028 18.230 16.715 15.420 14.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.199 20.028 18.230 16.715 15.420 14.299 13.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.198 20.028 18.230 16.716 15.420 14.300 13.319 12.452 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.198 20.028 18.231 16.716 15.421 14.301 13.320 12.453 11.679 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.198 20.029 18.232 16.717 15.422 14.302 13.321 12.455 11.681 10.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.198 20.030 18.233 16.719 15.424 14.304 13.323 12.457 11.684 10.986 10.349 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.197 20.031 18.235 16.721 15.426 14.306 13.326 12.460 11.687 10.990 10.354 9.763 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.197 20.032 18.237 16.724 15.429 14.310 13.330 12.464 11.692 10.996 10.360 9.772 9.218 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.196 20.034 18.240 16.727 15.433 14.314 13.335 12.470 11.698 11.003 10.369 9.783 9.233 8.713 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.195 20.036 18.244 16.731 15.438 14.319 13.341 12.476 11.705 11.011 10.380 9.797 9.251 8.734 8.255 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.194 20.038 18.246 16.735 15.442 14.323 13.345 12.481 11.711 11.018 10.388 9.807 9.265 8.751 8.249 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.192 20.040 18.250 16.739 15.447 14.329 13.352 12.488 11.719 11.027 10.399 9.822 9.285 8.777 8.271 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.191 20.042 18.254 16.744 15.452 14.335 13.358 12.495 11.727 11.036 10.410 9.836 9.303 8.802 8.304 8.732 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.189 20.044 18.258 16.748 15.457 14.340 13.364 12.502 11.734 11.045 10.420 9.849 9.321 8.826 8.339 8.087 8.257 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.187 20.046 18.261 16.753 15.462 14.346 13.370 12.509 11.742 11.053 10.430 9.861 9.337 8.848 8.373 7.939 7.930 7.998 8.136 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.185 20.048 18.264 16.757 15.467 14.351 13.376 12.515 11.749 11.062 10.440 9.873 9.353 8.870 8.405 7.879 7.813 7.785 7.804 7.862 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.183 20.050 18.268 16.761 15.472 14.356 13.381 12.521 11.756 11.070 10.449 9.885 9.367 8.889 8.435 7.850 7.760 7.691 7.650 7.639 7.653 7.674 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.181 20.051 18.271 16.765 15.476 14.361 13.387 12.527 11.763 11.077 10.458 9.895 9.381 8.907 8.462 7.836 7.732 7.643 7.572 7.521 7.492 7.479 7.475 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.179 20.053 18.274 16.769 15.481 14.366 13.392 12.533 11.769 11.085 10.467 9.906 9.394 8.924 8.486 7.831 7.718 7.617 7.529 7.456 7.398 7.357 7.328 7.306 7.284 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.177 20.054 18.277 16.773 15.485 14.371 13.397 12.539 11.776 11.092 10.475 9.915 9.405 8.939 8.507 7.829 7.712 7.603 7.505 7.418 7.343 7.281 7.231 7.191 7.157 7.126 7.094 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.174 20.055 18.280 16.776 15.489 14.376 13.403 12.545 11.782 11.099 10.483 9.925 9.417 8.952 8.526 7.831 7.710 7.596 7.491 7.395 7.309 7.233 7.168 7.112 7.065 7.024 6.987 6.951 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.172 20.057 18.282 16.780 15.493 14.380 13.408 12.550 11.788 11.106 10.491 9.934 9.427 8.965 8.542 7.835 7.711 7.594 7.484 7.382 7.289 7.203 7.127 7.060 7.000 6.948 6.902 6.861 6.822 6.786 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.169 20.058 18.285 16.784 15.498 14.385 13.413 12.556 11.794 11.112 10.498 9.942 9.437 8.976 8.555 7.841 7.715 7.595 7.482 7.376 7.277 7.185 7.101 7.024 6.955 6.894 6.839 6.789 6.745 6.704 6.667 99999.999 99999.999 99999.999 99999.999 99999.999 22.166 20.059 18.288 16.787 15.501 14.389 13.417 12.561 11.800 11.119 10.505 9.950 9.446 8.986 8.567 7.847 7.720 7.598 7.483 7.373 7.270 7.174 7.084 7.001 6.925 6.855 6.792 6.735 6.684 6.637 6.595 6.557 6.523 99999.999 99999.999 99999.999 22.164 20.060 18.290 16.790 15.505 14.393 13.422 12.566 11.806 11.125 10.513 9.958 9.454 8.996 8.578 7.854 7.726 7.603 7.486 7.374 7.268 7.168 7.074 6.986 6.904 6.828 6.759 6.695 6.637 6.584 6.536 6.493 6.455 6.421 99999.999 99999.999 22.161 20.061 18.293 16.794 15.509 14.398 13.427 12.571 11.811 11.132 10.519 9.966 9.463 9.005 8.587 7.861 7.732 7.609 7.490 7.377 7.268 7.166 7.068 6.977 6.890 6.810 6.735 6.666 6.602 6.543 6.490 6.441 6.397 6.358 6.324 6.295 22.158 20.061 18.295 16.797 15.513 14.402 13.431 12.576 11.817 11.138 10.526 9.973 9.471 9.013 8.596 7.869 7.740 7.615 7.495 7.381 7.271 7.166 7.066 6.972 6.882 6.798 6.719 6.645 6.576 6.512 6.454 6.400 6.351 6.307 6.267 6.233 22.125 20.065 18.314 16.824 15.546 14.439 13.472 12.621 11.866 11.192 10.586 10.038 9.541 9.089 8.676 7.951 7.820 7.693 7.571 7.452 7.337 7.226 7.118 7.014 6.913 6.816 6.721 6.630 6.541 6.456 6.374 6.294 6.218 6.144 6.074 6.006 22.086 20.063 18.328 16.846 15.572 14.469 13.505 12.658 11.906 11.236 10.634 10.092 9.600 9.152 8.743 8.025 7.895 7.770 7.648 7.530 7.416 7.305 7.197 7.092 6.991 6.892 6.796 6.703 6.612 6.524 6.438 6.355 6.273 6.194 6.117 6.042 22.043 20.056 18.337 16.863 15.594 14.495 13.534 12.689 11.940 11.273 10.675 10.137 9.649 9.205 8.800 8.090 7.961 7.837 7.716 7.600 7.487 7.377 7.270 7.167 7.066 6.968 6.873 6.781 6.691 6.603 6.517 6.434 6.352 6.273 6.195 6.119 21.996 20.046 18.342 16.876 15.613 14.516 13.558 12.716 11.970 11.306 10.711 10.175 9.690 9.250 8.849 8.145 8.018 7.895 7.776 7.661 7.549 7.440 7.335 7.233 7.134 7.037 6.943 6.852 6.763 6.676 6.592 6.510 6.429 6.351 6.274 6.199 21.946 20.033 18.344 16.886 15.628 14.535 13.579 12.739 11.995 11.333 10.741 10.208 9.727 9.289 8.891 8.194 8.068 7.946 7.828 7.714 7.604 7.496 7.392 7.291 7.193 7.098 7.005 6.915 6.827 6.742 6.659 6.578 6.498 6.421 6.346 6.272 21.895 20.017 18.343 16.894 15.640 14.551 13.598 12.760 12.018 11.358 10.768 10.237 9.758 9.324 8.928 8.236 8.111 7.991 7.874 7.761 7.651 7.545 7.442 7.342 7.246 7.151 7.060 6.971 6.884 6.800 6.718 6.638 6.560 6.484 6.410 6.337 21.841 19.999 18.341 16.899 15.651 14.564 13.614 12.778 12.038 11.380 10.792 10.263 9.786 9.354 8.961 8.274 8.150 8.030 7.914 7.802 7.694 7.589 7.487 7.388 7.292 7.199 7.108 7.020 6.935 6.851 6.770 6.691 6.614 6.539 6.466 6.395 99999.999 19.980 18.336 16.903 15.659 14.576 13.629 12.794 12.056 11.400 10.813 10.286 9.811 9.381 8.990 8.307 8.184 8.065 7.950 7.839 7.731 7.627 7.526 7.428 7.333 7.241 7.151 7.064 6.979 6.897 6.817 6.739 6.663 6.589 6.516 6.446 ZnCl+ ZnCl(+) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 2 1.000 15 1.000 3 0.441 -0.199 -0.821 -1.411 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.441 -0.199 -0.821 -1.411 -1.970 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.442 -0.199 -0.821 -1.410 -1.969 -2.504 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.442 -0.198 -0.820 -1.410 -1.969 -2.504 -3.021 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.443 -0.198 -0.820 -1.410 -1.969 -2.503 -3.020 -3.526 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.444 -0.197 -0.819 -1.409 -1.968 -2.502 -3.018 -3.524 -4.027 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.445 -0.196 -0.818 -1.408 -1.966 -2.500 -3.016 -3.521 -4.023 -4.531 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.447 -0.195 -0.817 -1.406 -1.964 -2.498 -3.013 -3.517 -4.018 -4.524 -5.051 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.450 -0.193 -0.815 -1.404 -1.962 -2.495 -3.009 -3.512 -4.011 -4.515 -5.038 -5.599 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.453 -0.190 -0.813 -1.401 -1.959 -2.490 -3.003 -3.505 -4.002 -4.502 -5.020 -5.574 -6.188 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.458 -0.187 -0.809 -1.398 -1.954 -2.485 -2.996 -3.496 -3.990 -4.486 -4.998 -5.541 -6.139 -6.826 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.464 -0.182 -0.805 -1.393 -1.949 -2.478 -2.988 -3.484 -3.975 -4.467 -4.971 -5.502 -6.080 -6.738 -7.554 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.468 -0.179 -0.802 -1.390 -1.945 -2.473 -2.981 -3.476 -3.964 -4.452 -4.951 -5.473 -6.036 -6.673 -7.477 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.474 -0.175 -0.798 -1.385 -1.939 -2.465 -2.972 -3.464 -3.948 -4.431 -4.923 -5.433 -5.977 -6.583 -7.343 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.480 -0.171 -0.794 -1.380 -1.933 -2.458 -2.963 -3.452 -3.933 -4.412 -4.896 -5.395 -5.922 -6.500 -7.210 -6.817 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.485 -0.167 -0.790 -1.376 -1.928 -2.452 -2.954 -3.441 -3.919 -4.393 -4.871 -5.360 -5.871 -6.423 -7.085 -7.362 -7.296 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.490 -0.163 -0.786 -1.372 -1.923 -2.445 -2.945 -3.430 -3.905 -4.375 -4.847 -5.326 -5.823 -6.352 -6.970 -7.452 -7.535 -7.573 -7.639 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.495 -0.159 -0.783 -1.368 -1.918 -2.439 -2.937 -3.420 -3.891 -4.357 -4.824 -5.295 -5.779 -6.287 -6.865 -7.455 -7.587 -7.695 -7.785 -7.893 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.500 -0.156 -0.779 -1.364 -1.913 -2.432 -2.929 -3.409 -3.878 -4.341 -4.802 -5.265 -5.738 -6.228 -6.770 -7.431 -7.582 -7.720 -7.846 -7.964 -8.099 -8.286 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.504 -0.153 -0.776 -1.360 -1.908 -2.427 -2.922 -3.400 -3.866 -4.325 -4.781 -5.238 -5.699 -6.173 -6.686 -7.397 -7.555 -7.707 -7.852 -7.989 -8.125 -8.274 -8.455 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.508 -0.150 -0.773 -1.356 -1.904 -2.421 -2.914 -3.390 -3.854 -4.309 -4.761 -5.211 -5.664 -6.124 -6.610 -7.358 -7.520 -7.678 -7.832 -7.981 -8.126 -8.273 -8.430 -8.607 -8.816 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.512 -0.147 -0.770 -1.353 -1.899 -2.415 -2.907 -3.381 -3.842 -4.294 -4.742 -5.186 -5.631 -6.079 -6.544 -7.318 -7.481 -7.642 -7.800 -7.955 -8.107 -8.258 -8.411 -8.571 -8.745 -8.937 -9.151 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.516 -0.144 -0.767 -1.349 -1.895 -2.410 -2.900 -3.372 -3.830 -4.280 -4.723 -5.163 -5.601 -6.039 -6.486 -7.277 -7.440 -7.602 -7.762 -7.920 -8.076 -8.230 -8.384 -8.540 -8.701 -8.870 -9.051 -9.243 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.519 -0.141 -0.764 -1.346 -1.891 -2.405 -2.893 -3.363 -3.819 -4.266 -4.706 -5.141 -5.573 -6.003 -6.436 -7.236 -7.399 -7.561 -7.721 -7.880 -8.038 -8.195 -8.350 -8.505 -8.662 -8.822 -8.987 -9.157 -9.333 -9.514 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.523 -0.139 -0.762 -1.343 -1.887 -2.399 -2.887 -3.355 -3.809 -4.252 -4.689 -5.120 -5.546 -5.969 -6.392 -7.197 -7.358 -7.519 -7.679 -7.839 -7.997 -8.154 -8.310 -8.466 -8.622 -8.778 -8.935 -9.095 -9.257 -9.421 -9.584 99999.999 99999.999 99999.999 99999.999 99999.999 0.526 -0.136 -0.759 -1.340 -1.883 -2.395 -2.881 -3.347 -3.798 -4.239 -4.673 -5.100 -5.522 -5.939 -6.353 -7.158 -7.318 -7.478 -7.637 -7.796 -7.954 -8.111 -8.268 -8.423 -8.578 -8.733 -8.888 -9.042 -9.197 -9.351 -9.505 -9.656 -9.802 99999.999 99999.999 99999.999 0.529 -0.134 -0.757 -1.337 -1.879 -2.390 -2.874 -3.339 -3.788 -4.227 -4.657 -5.081 -5.499 -5.911 -6.320 -7.120 -7.279 -7.438 -7.596 -7.754 -7.911 -8.067 -8.223 -8.379 -8.533 -8.687 -8.840 -8.992 -9.143 -9.293 -9.441 -9.586 -9.726 -9.861 99999.999 99999.999 0.531 -0.132 -0.755 -1.335 -1.876 -2.385 -2.868 -3.331 -3.779 -4.215 -4.642 -5.063 -5.477 -5.886 -6.289 -7.083 -7.241 -7.398 -7.555 -7.711 -7.867 -8.023 -8.179 -8.333 -8.487 -8.640 -8.792 -8.943 -9.092 -9.240 -9.385 -9.526 -9.664 -9.796 -9.922 -10.040 0.534 -0.130 -0.753 -1.332 -1.873 -2.381 -2.863 -3.324 -3.769 -4.203 -4.628 -5.045 -5.456 -5.861 -6.261 -7.048 -7.204 -7.359 -7.515 -7.670 -7.825 -7.979 -8.134 -8.287 -8.440 -8.593 -8.744 -8.894 -9.042 -9.188 -9.332 -9.472 -9.608 -9.740 -9.865 -9.984 0.550 -0.117 -0.737 -1.311 -1.844 -2.343 -2.813 -3.260 -3.688 -4.101 -4.502 -4.894 -5.277 -5.653 -6.021 -6.741 -6.883 -7.025 -7.166 -7.306 -7.447 -7.587 -7.727 -7.867 -8.007 -8.147 -8.286 -8.425 -8.564 -8.702 -8.839 -8.975 -9.110 -9.244 -9.376 -9.506 0.551 -0.115 -0.731 -1.299 -1.825 -2.316 -2.776 -3.211 -3.625 -4.022 -4.405 -4.777 -5.139 -5.492 -5.836 -6.505 -6.636 -6.767 -6.896 -7.025 -7.154 -7.282 -7.410 -7.537 -7.665 -7.792 -7.919 -8.045 -8.172 -8.298 -8.424 -8.550 -8.676 -8.801 -8.926 -9.051 0.541 -0.121 -0.732 -1.294 -1.813 -2.296 -2.748 -3.173 -3.576 -3.960 -4.328 -4.684 -5.028 -5.363 -5.688 -6.317 -6.439 -6.561 -6.682 -6.802 -6.921 -7.040 -7.158 -7.276 -7.393 -7.510 -7.627 -7.743 -7.859 -7.975 -8.091 -8.207 -8.323 -8.438 -8.554 -8.669 0.521 -0.134 -0.739 -1.295 -1.808 -2.283 -2.727 -3.144 -3.537 -3.910 -4.266 -4.608 -4.938 -5.258 -5.567 -6.162 -6.278 -6.392 -6.506 -6.619 -6.731 -6.842 -6.952 -7.062 -7.172 -7.281 -7.389 -7.498 -7.605 -7.713 -7.820 -7.928 -8.035 -8.142 -8.249 -8.356 0.494 -0.152 -0.751 -1.300 -1.807 -2.276 -2.712 -3.121 -3.506 -3.870 -4.216 -4.547 -4.864 -5.171 -5.467 -6.034 -6.143 -6.252 -6.360 -6.466 -6.572 -6.677 -6.781 -6.885 -6.988 -7.090 -7.192 -7.294 -7.395 -7.496 -7.596 -7.696 -7.797 -7.896 -7.996 -8.096 0.461 -0.175 -0.767 -1.310 -1.810 -2.273 -2.703 -3.104 -3.482 -3.837 -4.174 -4.496 -4.803 -5.098 -5.383 -5.925 -6.030 -6.133 -6.236 -6.338 -6.438 -6.538 -6.637 -6.735 -6.833 -6.930 -7.026 -7.122 -7.218 -7.313 -7.408 -7.502 -7.596 -7.690 -7.784 -7.878 0.423 -0.202 -0.786 -1.323 -1.817 -2.273 -2.697 -3.092 -3.463 -3.811 -4.141 -4.453 -4.751 -5.037 -5.311 -5.833 -5.933 -6.032 -6.131 -6.228 -6.324 -6.419 -6.514 -6.608 -6.701 -6.793 -6.885 -6.976 -7.067 -7.157 -7.247 -7.337 -7.426 -7.516 -7.605 -7.693 99999.999 -0.231 -0.809 -1.339 -1.827 -2.277 -2.695 -3.084 -3.448 -3.790 -4.113 -4.418 -4.708 -4.985 -5.251 -5.754 -5.850 -5.946 -6.040 -6.133 -6.226 -6.317 -6.408 -6.498 -6.587 -6.675 -6.763 -6.850 -6.937 -7.024 -7.110 -7.195 -7.280 -7.366 -7.450 -7.535 ZnCl2,aq ZnCl2(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 2 1.000 15 2.000 3 0.151 -0.251 -0.736 -1.255 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.151 -0.251 -0.736 -1.255 -1.792 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.151 -0.250 -0.736 -1.255 -1.792 -2.343 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.152 -0.250 -0.735 -1.254 -1.791 -2.342 -2.909 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.153 -0.249 -0.734 -1.253 -1.790 -2.340 -2.907 -3.493 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.156 -0.247 -0.732 -1.251 -1.788 -2.338 -2.904 -3.489 -4.101 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.159 -0.244 -0.730 -1.248 -1.785 -2.335 -2.900 -3.484 -4.094 -4.743 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.163 -0.241 -0.726 -1.245 -1.780 -2.330 -2.894 -3.477 -4.085 -4.730 -5.434 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.169 -0.236 -0.722 -1.240 -1.775 -2.323 -2.885 -3.466 -4.072 -4.713 -5.410 -6.197 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.177 -0.229 -0.715 -1.233 -1.767 -2.314 -2.875 -3.453 -4.055 -4.691 -5.380 -6.152 -7.056 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.187 -0.221 -0.707 -1.224 -1.757 -2.302 -2.861 -3.436 -4.033 -4.662 -5.341 -6.095 -6.969 -8.049 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.199 -0.210 -0.697 -1.213 -1.745 -2.288 -2.843 -3.414 -4.005 -4.627 -5.292 -6.026 -6.864 -7.879 -9.306 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.208 -0.203 -0.689 -1.205 -1.735 -2.277 -2.830 -3.397 -3.985 -4.600 -5.257 -5.975 -6.787 -7.757 -9.092 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.221 -0.192 -0.678 -1.193 -1.722 -2.261 -2.811 -3.374 -3.956 -4.563 -5.207 -5.905 -6.684 -7.597 -8.813 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.234 -0.181 -0.668 -1.182 -1.709 -2.246 -2.793 -3.352 -3.928 -4.528 -5.160 -5.840 -6.589 -7.450 -8.564 -9.890 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.245 -0.171 -0.658 -1.171 -1.697 -2.232 -2.775 -3.331 -3.902 -4.494 -5.115 -5.778 -6.500 -7.317 -8.341 -9.514 -10.004 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.257 -0.161 -0.648 -1.160 -1.685 -2.217 -2.758 -3.310 -3.876 -4.461 -5.073 -5.720 -6.418 -7.194 -8.141 -9.336 -9.721 -10.191 -10.902 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.267 -0.152 -0.638 -1.150 -1.673 -2.204 -2.742 -3.290 -3.851 -4.430 -5.032 -5.666 -6.342 -7.082 -7.960 -9.179 -9.533 -9.921 -10.376 -10.974 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.278 -0.143 -0.629 -1.140 -1.662 -2.190 -2.726 -3.270 -3.827 -4.400 -4.993 -5.614 -6.271 -6.980 -7.799 -9.039 -9.373 -9.727 -10.114 -10.557 -11.094 -11.775 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.287 -0.134 -0.621 -1.131 -1.651 -2.177 -2.710 -3.251 -3.803 -4.370 -4.956 -5.565 -6.205 -6.887 -7.655 -8.912 -9.230 -9.564 -9.918 -10.301 -10.730 -11.227 -11.817 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.296 -0.126 -0.612 -1.121 -1.640 -2.165 -2.695 -3.233 -3.781 -4.342 -4.921 -5.519 -6.143 -6.802 -7.527 -8.796 -9.101 -9.418 -9.751 -10.103 -10.481 -10.897 -11.363 -11.891 -12.489 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.305 -0.118 -0.604 -1.112 -1.630 -2.153 -2.680 -3.215 -3.759 -4.315 -4.886 -5.476 -6.086 -6.725 -7.413 -8.688 -8.983 -9.287 -9.603 -9.934 -10.283 -10.655 -11.057 -11.496 -11.979 -12.508 -13.079 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.314 -0.110 -0.596 -1.104 -1.620 -2.141 -2.666 -3.197 -3.737 -4.289 -4.854 -5.434 -6.033 -6.654 -7.313 -8.587 -8.873 -9.166 -9.470 -9.785 -10.113 -10.457 -10.822 -11.210 -11.626 -12.073 -12.550 -13.054 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.321 -0.103 -0.588 -1.095 -1.610 -2.129 -2.652 -3.181 -3.717 -4.263 -4.822 -5.395 -5.983 -6.590 -7.224 -8.493 -8.771 -9.055 -9.347 -9.649 -9.962 -10.287 -10.626 -10.982 -11.356 -11.752 -12.168 -12.604 -13.057 -13.520 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.329 -0.096 -0.581 -1.087 -1.601 -2.118 -2.639 -3.164 -3.697 -4.239 -4.792 -5.358 -5.937 -6.531 -7.146 -8.405 -8.675 -8.951 -9.234 -9.525 -9.825 -10.134 -10.455 -10.788 -11.135 -11.496 -11.872 -12.263 -12.665 -13.077 -13.493 99999.999 99999.999 99999.999 99999.999 99999.999 0.336 -0.090 -0.574 -1.079 -1.591 -2.107 -2.625 -3.148 -3.677 -4.215 -4.763 -5.322 -5.893 -6.477 -7.077 -8.321 -8.584 -8.853 -9.128 -9.410 -9.699 -9.996 -10.303 -10.619 -10.945 -11.282 -11.630 -11.988 -12.356 -12.730 -13.109 -13.487 -13.862 99999.999 99999.999 99999.999 0.342 -0.083 -0.567 -1.071 -1.582 -2.096 -2.613 -3.133 -3.658 -4.192 -4.735 -5.288 -5.852 -6.427 -7.016 -8.241 -8.499 -8.761 -9.028 -9.302 -9.582 -9.869 -10.163 -10.466 -10.776 -11.095 -11.423 -11.758 -12.100 -12.447 -12.797 -13.148 -13.496 -13.837 99999.999 99999.999 0.349 -0.077 -0.561 -1.064 -1.574 -2.086 -2.600 -3.117 -3.640 -4.169 -4.708 -5.255 -5.813 -6.380 -6.959 -8.166 -8.418 -8.674 -8.935 -9.201 -9.473 -9.751 -10.035 -10.326 -10.624 -10.929 -11.240 -11.557 -11.880 -12.207 -12.536 -12.865 -13.192 -13.514 -13.828 -14.132 0.354 -0.071 -0.554 -1.057 -1.565 -2.076 -2.588 -3.103 -3.622 -4.148 -4.681 -5.224 -5.775 -6.336 -6.907 -8.093 -8.340 -8.591 -8.846 -9.106 -9.370 -9.640 -9.916 -10.197 -10.484 -10.777 -11.076 -11.379 -11.686 -11.997 -12.310 -12.623 -12.934 -13.241 -13.541 -13.833 0.393 -0.027 -0.503 -0.996 -1.493 -1.989 -2.482 -2.974 -3.465 -3.958 -4.454 -4.953 -5.455 -5.961 -6.471 -7.508 -7.719 -7.931 -8.145 -8.361 -8.579 -8.799 -9.021 -9.245 -9.472 -9.700 -9.931 -10.164 -10.398 -10.634 -10.871 -11.109 -11.347 -11.585 -11.823 -12.060 0.401 -0.006 -0.471 -0.954 -1.439 -1.921 -2.399 -2.873 -3.342 -3.810 -4.276 -4.742 -5.208 -5.675 -6.142 -7.079 -7.268 -7.457 -7.647 -7.838 -8.029 -8.222 -8.415 -8.609 -8.805 -9.002 -9.199 -9.398 -9.598 -9.799 -10.001 -10.204 -10.408 -10.613 -10.818 -11.023 0.385 -0.002 -0.455 -0.926 -1.399 -1.870 -2.334 -2.792 -3.243 -3.690 -4.133 -4.573 -5.011 -5.446 -5.880 -6.745 -6.917 -7.090 -7.263 -7.436 -7.609 -7.783 -7.957 -8.132 -8.307 -8.482 -8.659 -8.836 -9.013 -9.192 -9.371 -9.550 -9.731 -9.912 -10.094 -10.276 0.350 -0.013 -0.450 -0.909 -1.372 -1.831 -2.283 -2.727 -3.163 -3.593 -4.016 -4.434 -4.849 -5.259 -5.667 -6.473 -6.634 -6.794 -6.954 -7.113 -7.273 -7.433 -7.593 -7.753 -7.913 -8.073 -8.234 -8.395 -8.556 -8.718 -8.880 -9.043 -9.206 -9.370 -9.535 -9.700 0.299 -0.035 -0.457 -0.903 -1.354 -1.802 -2.242 -2.674 -3.097 -3.512 -3.919 -4.319 -4.714 -5.104 -5.489 -6.248 -6.398 -6.548 -6.698 -6.847 -6.996 -7.145 -7.293 -7.442 -7.590 -7.739 -7.888 -8.036 -8.185 -8.334 -8.484 -8.634 -8.784 -8.934 -9.085 -9.237 0.236 -0.068 -0.472 -0.906 -1.345 -1.782 -2.212 -2.632 -3.044 -3.445 -3.838 -4.223 -4.601 -4.973 -5.339 -6.058 -6.200 -6.342 -6.482 -6.623 -6.763 -6.903 -7.042 -7.182 -7.321 -7.460 -7.599 -7.738 -7.877 -8.016 -8.155 -8.295 -8.435 -8.575 -8.715 -8.856 0.163 -0.108 -0.495 -0.915 -1.343 -1.769 -2.189 -2.599 -2.999 -3.390 -3.770 -4.141 -4.505 -4.861 -5.211 -5.896 -6.031 -6.165 -6.299 -6.432 -6.565 -6.697 -6.829 -6.960 -7.092 -7.223 -7.354 -7.485 -7.616 -7.747 -7.878 -8.009 -8.141 -8.272 -8.404 -8.536 99999.999 -0.154 -0.524 -0.931 -1.348 -1.763 -2.173 -2.573 -2.963 -3.343 -3.712 -4.072 -4.423 -4.766 -5.102 -5.757 -5.885 -6.013 -6.141 -6.268 -6.394 -6.520 -6.645 -6.770 -6.895 -7.020 -7.144 -7.268 -7.392 -7.517 -7.641 -7.765 -7.890 -8.015 -8.139 -8.265 ZnCl3- ZnCl3(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 2 1.000 15 3.000 3 0.099 0.020 -0.246 -0.615 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.099 0.020 -0.246 -0.615 -1.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.099 0.020 -0.246 -0.614 -1.050 -1.536 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.101 0.022 -0.245 -0.613 -1.048 -1.535 -2.066 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.103 0.023 -0.243 -0.611 -1.047 -1.533 -2.064 -2.637 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.106 0.026 -0.240 -0.608 -1.043 -1.530 -2.060 -2.632 -3.249 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.111 0.031 -0.236 -0.604 -1.039 -1.525 -2.054 -2.626 -3.241 -3.909 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.119 0.037 -0.230 -0.598 -1.032 -1.517 -2.046 -2.616 -3.229 -3.894 -4.631 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.129 0.046 -0.221 -0.589 -1.023 -1.507 -2.035 -2.603 -3.213 -3.875 -4.605 -5.435 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.142 0.058 -0.210 -0.578 -1.011 -1.494 -2.020 -2.585 -3.193 -3.848 -4.570 -5.386 -6.343 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.159 0.073 -0.196 -0.563 -0.996 -1.478 -2.001 -2.563 -3.166 -3.815 -4.526 -5.324 -6.250 -7.388 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.180 0.091 -0.178 -0.545 -0.977 -1.456 -1.977 -2.535 -3.132 -3.773 -4.471 -5.248 -6.138 -7.212 -8.692 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.196 0.105 -0.164 -0.531 -0.962 -1.440 -1.958 -2.514 -3.107 -3.742 -4.431 -5.192 -6.056 -7.085 -8.482 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.218 0.125 -0.145 -0.512 -0.941 -1.417 -1.933 -2.484 -3.071 -3.699 -4.374 -5.115 -5.945 -6.916 -8.199 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.239 0.144 -0.126 -0.492 -0.921 -1.395 -1.908 -2.455 -3.037 -3.657 -4.321 -5.042 -5.842 -6.761 -7.943 -9.032 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.260 0.163 -0.108 -0.474 -0.901 -1.374 -1.884 -2.427 -3.004 -3.616 -4.270 -4.974 -5.746 -6.619 -7.710 -8.851 -9.270 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.279 0.181 -0.090 -0.456 -0.882 -1.353 -1.860 -2.400 -2.972 -3.577 -4.221 -4.909 -5.656 -6.488 -7.499 -8.719 -9.088 -9.519 -10.170 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.298 0.198 -0.073 -0.438 -0.864 -1.332 -1.837 -2.373 -2.941 -3.540 -4.174 -4.848 -5.573 -6.369 -7.310 -8.581 -8.937 -9.316 -9.749 -10.313 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.316 0.215 -0.057 -0.421 -0.845 -1.313 -1.815 -2.348 -2.910 -3.503 -4.129 -4.790 -5.495 -6.259 -7.139 -8.450 -8.794 -9.152 -9.536 -9.967 -10.486 -11.146 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.334 0.231 -0.040 -0.405 -0.828 -1.293 -1.793 -2.322 -2.881 -3.468 -4.086 -4.735 -5.423 -6.159 -6.986 -8.327 -8.660 -9.004 -9.364 -9.749 -10.174 -10.662 -11.241 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.350 0.247 -0.025 -0.388 -0.810 -1.274 -1.771 -2.298 -2.852 -3.434 -4.044 -4.683 -5.355 -6.067 -6.850 -8.212 -8.534 -8.867 -9.211 -9.572 -9.956 -10.372 -10.836 -11.361 -11.956 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.366 0.262 -0.010 -0.373 -0.793 -1.256 -1.751 -2.274 -2.825 -3.401 -4.004 -4.634 -5.292 -5.983 -6.729 -8.104 -8.418 -8.740 -9.072 -9.416 -9.775 -10.155 -10.562 -11.005 -11.489 -12.020 -12.595 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.382 0.277 0.005 -0.357 -0.777 -1.238 -1.730 -2.251 -2.798 -3.369 -3.966 -4.587 -5.233 -5.906 -6.622 -8.002 -8.308 -8.621 -8.942 -9.274 -9.617 -9.974 -10.348 -10.745 -11.168 -11.620 -12.102 -12.613 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.396 0.291 0.020 -0.342 -0.761 -1.220 -1.711 -2.228 -2.771 -3.338 -3.929 -4.542 -5.177 -5.836 -6.527 -7.906 -8.204 -8.509 -8.822 -9.142 -9.472 -9.813 -10.166 -10.534 -10.920 -11.324 -11.749 -12.194 -12.655 -13.128 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.410 0.305 0.034 -0.327 -0.745 -1.203 -1.691 -2.206 -2.746 -3.308 -3.893 -4.499 -5.125 -5.772 -6.443 -7.814 -8.106 -8.404 -8.709 -9.020 -9.339 -9.667 -10.005 -10.353 -10.714 -11.088 -11.476 -11.877 -12.290 -12.713 -13.140 99999.999 99999.999 99999.999 99999.999 99999.999 0.424 0.319 0.047 -0.313 -0.730 -1.186 -1.672 -2.185 -2.721 -3.279 -3.859 -4.458 -5.076 -5.712 -6.369 -7.727 -8.013 -8.305 -8.602 -8.905 -9.215 -9.532 -9.858 -10.191 -10.534 -10.887 -11.249 -11.621 -12.002 -12.389 -12.779 -13.170 -13.556 99999.999 99999.999 99999.999 0.436 0.331 0.061 -0.299 -0.715 -1.170 -1.654 -2.164 -2.696 -3.251 -3.825 -4.419 -5.030 -5.657 -6.302 -7.644 -7.925 -8.210 -8.501 -8.797 -9.099 -9.407 -9.722 -10.044 -10.373 -10.710 -11.054 -11.405 -11.762 -12.124 -12.488 -12.852 -13.213 -13.568 99999.999 99999.999 0.449 0.344 0.073 -0.286 -0.700 -1.154 -1.636 -2.143 -2.673 -3.223 -3.793 -4.381 -4.986 -5.606 -6.241 -7.565 -7.841 -8.121 -8.405 -8.694 -8.989 -9.289 -9.595 -9.907 -10.225 -10.550 -10.879 -11.215 -11.554 -11.898 -12.243 -12.587 -12.929 -13.266 -13.594 -13.911 0.460 0.356 0.086 -0.273 -0.686 -1.138 -1.619 -2.123 -2.650 -3.196 -3.762 -4.345 -4.943 -5.556 -6.184 -7.489 -7.760 -8.035 -8.314 -8.597 -8.885 -9.178 -9.477 -9.780 -10.089 -10.402 -10.721 -11.044 -11.370 -11.699 -12.029 -12.359 -12.686 -13.009 -13.325 -13.632 0.547 0.455 0.193 -0.157 -0.560 -0.999 -1.462 -1.946 -2.445 -2.960 -3.487 -4.027 -4.577 -5.136 -5.704 -6.863 -7.100 -7.338 -7.578 -7.821 -8.065 -8.311 -8.560 -8.811 -9.064 -9.319 -9.576 -9.835 -10.095 -10.357 -10.620 -10.884 -11.148 -11.412 -11.675 -11.936 0.590 0.521 0.272 -0.068 -0.460 -0.887 -1.336 -1.801 -2.280 -2.769 -3.268 -3.776 -4.290 -4.810 -5.334 -6.397 -6.611 -6.827 -7.043 -7.261 -7.479 -7.699 -7.920 -8.141 -8.365 -8.589 -8.814 -9.041 -9.269 -9.498 -9.728 -9.959 -10.191 -10.424 -10.657 -10.890 0.598 0.561 0.328 0.001 -0.381 -0.795 -1.232 -1.682 -2.144 -2.613 -3.089 -3.570 -4.056 -4.545 -5.037 -6.027 -6.226 -6.425 -6.624 -6.824 -7.025 -7.226 -7.428 -7.630 -7.833 -8.037 -8.241 -8.447 -8.653 -8.859 -9.067 -9.275 -9.484 -9.694 -9.905 -10.116 0.577 0.579 0.366 0.052 -0.317 -0.721 -1.145 -1.583 -2.030 -2.482 -2.939 -3.399 -3.862 -4.326 -4.791 -5.723 -5.910 -6.096 -6.283 -6.470 -6.657 -6.844 -7.032 -7.219 -7.408 -7.596 -7.785 -7.975 -8.164 -8.355 -8.546 -8.737 -8.930 -9.122 -9.316 -9.510 0.534 0.580 0.389 0.090 -0.268 -0.660 -1.073 -1.499 -1.933 -2.371 -2.812 -3.254 -3.697 -4.141 -4.584 -5.469 -5.645 -5.822 -5.998 -6.174 -6.350 -6.527 -6.703 -6.880 -7.056 -7.233 -7.410 -7.587 -7.764 -7.942 -8.120 -8.299 -8.478 -8.658 -8.838 -9.018 0.472 0.566 0.399 0.115 -0.230 -0.611 -1.014 -1.429 -1.851 -2.277 -2.703 -3.130 -3.557 -3.983 -4.407 -5.252 -5.420 -5.588 -5.756 -5.923 -6.091 -6.258 -6.425 -6.592 -6.759 -6.927 -7.094 -7.261 -7.429 -7.597 -7.765 -7.933 -8.102 -8.271 -8.440 -8.610 0.394 0.541 0.397 0.130 -0.202 -0.572 -0.964 -1.369 -1.781 -2.195 -2.610 -3.024 -3.436 -3.846 -4.254 -5.065 -5.226 -5.387 -5.547 -5.707 -5.867 -6.027 -6.187 -6.346 -6.506 -6.665 -6.824 -6.984 -7.143 -7.303 -7.462 -7.622 -7.783 -7.943 -8.104 -8.265 99999.999 0.506 0.387 0.136 -0.183 -0.542 -0.924 -1.319 -1.721 -2.125 -2.529 -2.931 -3.331 -3.728 -4.122 -4.902 -5.057 -5.212 -5.366 -5.520 -5.673 -5.827 -5.980 -6.133 -6.286 -6.438 -6.591 -6.744 -6.896 -7.049 -7.202 -7.355 -7.508 -7.662 -7.816 -7.970 ZnF+ ZnF(1) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 2 1.000 15 1.000 23 -1.162 -1.150 -1.224 -1.345 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.162 -1.150 -1.224 -1.345 -1.495 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.162 -1.150 -1.224 -1.344 -1.495 -1.668 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.162 -1.150 -1.224 -1.344 -1.494 -1.668 -1.863 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.161 -1.149 -1.224 -1.344 -1.494 -1.667 -1.862 -2.078 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.160 -1.149 -1.223 -1.343 -1.493 -1.666 -1.861 -2.076 -2.314 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.159 -1.148 -1.222 -1.342 -1.492 -1.665 -1.859 -2.074 -2.311 -2.575 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.157 -1.146 -1.221 -1.341 -1.490 -1.663 -1.856 -2.070 -2.306 -2.569 -2.869 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.154 -1.144 -1.219 -1.339 -1.488 -1.660 -1.853 -2.065 -2.300 -2.561 -2.857 -3.206 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.150 -1.142 -1.217 -1.336 -1.485 -1.656 -1.848 -2.059 -2.292 -2.550 -2.842 -3.183 -3.597 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.145 -1.138 -1.214 -1.333 -1.481 -1.652 -1.842 -2.051 -2.281 -2.536 -2.822 -3.154 -3.553 -4.058 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.139 -1.134 -1.210 -1.329 -1.476 -1.645 -1.834 -2.041 -2.268 -2.518 -2.798 -3.119 -3.499 -3.972 -4.648 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.135 -1.131 -1.207 -1.326 -1.473 -1.641 -1.828 -2.034 -2.258 -2.505 -2.780 -3.093 -3.459 -3.910 -4.548 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.128 -1.126 -1.203 -1.321 -1.467 -1.634 -1.820 -2.023 -2.245 -2.487 -2.755 -3.057 -3.406 -3.828 -4.409 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.122 -1.122 -1.199 -1.317 -1.462 -1.628 -1.812 -2.013 -2.232 -2.470 -2.732 -3.024 -3.357 -3.752 -4.282 -4.569 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.116 -1.118 -1.195 -1.313 -1.457 -1.622 -1.804 -2.003 -2.219 -2.453 -2.709 -2.993 -3.311 -3.682 -4.166 -4.549 -4.700 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.110 -1.114 -1.191 -1.309 -1.452 -1.616 -1.797 -1.993 -2.207 -2.437 -2.688 -2.963 -3.269 -3.619 -4.062 -4.504 -4.648 -4.816 -5.090 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.104 -1.110 -1.188 -1.305 -1.448 -1.610 -1.789 -1.984 -2.195 -2.422 -2.668 -2.935 -3.229 -3.561 -3.967 -4.446 -4.590 -4.742 -4.917 -5.154 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.099 -1.106 -1.184 -1.301 -1.443 -1.605 -1.782 -1.975 -2.183 -2.407 -2.648 -2.909 -3.193 -3.507 -3.883 -4.388 -4.528 -4.674 -4.831 -5.008 -5.228 -5.520 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.094 -1.102 -1.181 -1.297 -1.439 -1.599 -1.775 -1.966 -2.172 -2.393 -2.630 -2.884 -3.159 -3.459 -3.807 -4.332 -4.468 -4.610 -4.758 -4.916 -5.093 -5.301 -5.555 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.089 -1.099 -1.177 -1.294 -1.434 -1.594 -1.769 -1.958 -2.161 -2.379 -2.612 -2.861 -3.127 -3.415 -3.740 -4.278 -4.411 -4.548 -4.690 -4.839 -4.998 -5.173 -5.371 -5.600 -5.865 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.084 -1.095 -1.174 -1.290 -1.430 -1.588 -1.762 -1.949 -2.151 -2.366 -2.595 -2.839 -3.098 -3.375 -3.681 -4.228 -4.357 -4.489 -4.626 -4.769 -4.918 -5.077 -5.248 -5.437 -5.647 -5.881 -6.139 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.079 -1.092 -1.171 -1.286 -1.426 -1.583 -1.756 -1.941 -2.140 -2.353 -2.579 -2.818 -3.071 -3.339 -3.629 -4.180 -4.306 -4.434 -4.567 -4.704 -4.846 -4.994 -5.151 -5.319 -5.499 -5.695 -5.906 -6.132 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.074 -1.088 -1.168 -1.283 -1.422 -1.578 -1.749 -1.933 -2.130 -2.340 -2.563 -2.798 -3.045 -3.306 -3.583 -4.135 -4.257 -4.382 -4.511 -4.643 -4.779 -4.921 -5.068 -5.223 -5.386 -5.558 -5.741 -5.934 -6.136 -6.344 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.070 -1.085 -1.165 -1.280 -1.418 -1.574 -1.743 -1.926 -2.121 -2.328 -2.548 -2.779 -3.022 -3.275 -3.543 -4.092 -4.211 -4.333 -4.457 -4.586 -4.717 -4.853 -4.994 -5.140 -5.291 -5.449 -5.614 -5.785 -5.963 -6.146 -6.332 99999.999 99999.999 99999.999 99999.999 99999.999 -1.066 -1.082 -1.162 -1.277 -1.414 -1.569 -1.737 -1.918 -2.111 -2.317 -2.533 -2.761 -2.999 -3.248 -3.507 -4.051 -4.167 -4.286 -4.407 -4.532 -4.659 -4.791 -4.925 -5.064 -5.208 -5.356 -5.509 -5.666 -5.828 -5.994 -6.161 -6.329 -6.495 99999.999 99999.999 99999.999 -1.061 -1.079 -1.159 -1.273 -1.410 -1.564 -1.731 -1.911 -2.102 -2.305 -2.519 -2.744 -2.978 -3.222 -3.476 -4.012 -4.125 -4.241 -4.359 -4.481 -4.605 -4.732 -4.862 -4.996 -5.133 -5.273 -5.418 -5.565 -5.716 -5.869 -6.024 -6.179 -6.332 -6.482 99999.999 99999.999 -1.057 -1.076 -1.156 -1.270 -1.407 -1.560 -1.726 -1.904 -2.093 -2.294 -2.506 -2.727 -2.959 -3.199 -3.447 -3.974 -4.085 -4.198 -4.314 -4.432 -4.553 -4.676 -4.802 -4.931 -5.063 -5.198 -5.336 -5.477 -5.619 -5.764 -5.909 -6.054 -6.198 -6.340 -6.477 -6.609 -1.054 -1.073 -1.153 -1.267 -1.403 -1.555 -1.720 -1.897 -2.085 -2.283 -2.493 -2.711 -2.940 -3.176 -3.421 -3.938 -4.047 -4.158 -4.271 -4.386 -4.503 -4.623 -4.746 -4.871 -4.999 -5.129 -5.262 -5.396 -5.533 -5.670 -5.809 -5.947 -6.084 -6.219 -6.350 -6.478 -1.023 -1.050 -1.130 -1.241 -1.371 -1.516 -1.671 -1.836 -2.009 -2.190 -2.378 -2.574 -2.776 -2.985 -3.198 -3.642 -3.733 -3.826 -3.920 -4.015 -4.111 -4.208 -4.307 -4.407 -4.508 -4.611 -4.714 -4.819 -4.924 -5.031 -5.138 -5.245 -5.353 -5.461 -5.568 -5.675 -1.004 -1.034 -1.113 -1.220 -1.346 -1.484 -1.631 -1.786 -1.947 -2.115 -2.288 -2.466 -2.649 -2.837 -3.028 -3.421 -3.501 -3.582 -3.664 -3.746 -3.830 -3.914 -3.998 -4.084 -4.170 -4.257 -4.345 -4.434 -4.523 -4.613 -4.704 -4.796 -4.888 -4.981 -5.074 -5.168 -0.993 -1.024 -1.101 -1.205 -1.325 -1.458 -1.598 -1.745 -1.897 -2.053 -2.214 -2.378 -2.546 -2.717 -2.891 -3.246 -3.319 -3.391 -3.464 -3.538 -3.612 -3.686 -3.761 -3.836 -3.912 -3.989 -4.066 -4.144 -4.222 -4.301 -4.381 -4.461 -4.542 -4.623 -4.705 -4.788 -0.991 -1.019 -1.093 -1.193 -1.309 -1.436 -1.570 -1.710 -1.854 -2.002 -2.152 -2.305 -2.461 -2.619 -2.779 -3.103 -3.169 -3.235 -3.301 -3.368 -3.435 -3.502 -3.570 -3.638 -3.706 -3.775 -3.844 -3.914 -3.984 -4.055 -4.126 -4.197 -4.270 -4.342 -4.415 -4.489 -0.993 -1.018 -1.088 -1.184 -1.296 -1.418 -1.547 -1.681 -1.818 -1.958 -2.100 -2.243 -2.389 -2.535 -2.684 -2.983 -3.044 -3.105 -3.166 -3.227 -3.288 -3.349 -3.411 -3.473 -3.536 -3.598 -3.661 -3.725 -3.788 -3.853 -3.917 -3.982 -4.048 -4.113 -4.180 -4.246 -1.001 -1.020 -1.086 -1.178 -1.285 -1.403 -1.527 -1.656 -1.787 -1.920 -2.055 -2.190 -2.327 -2.464 -2.603 -2.881 -2.937 -2.994 -3.050 -3.107 -3.163 -3.220 -3.277 -3.334 -3.392 -3.450 -3.508 -3.566 -3.624 -3.683 -3.743 -3.802 -3.862 -3.923 -3.984 -4.045 -1.011 -1.025 -1.087 -1.174 -1.278 -1.391 -1.510 -1.634 -1.760 -1.888 -2.016 -2.144 -2.273 -2.403 -2.532 -2.793 -2.846 -2.898 -2.951 -3.003 -3.056 -3.109 -3.162 -3.215 -3.269 -3.322 -3.376 -3.430 -3.485 -3.539 -3.594 -3.649 -3.705 -3.761 -3.817 -3.874 99999.999 -1.031 -1.089 -1.173 -1.272 -1.381 -1.496 -1.615 -1.737 -1.859 -1.982 -2.104 -2.227 -2.349 -2.471 -2.716 -2.766 -2.815 -2.864 -2.913 -2.963 -3.012 -3.062 -3.112 -3.162 -3.212 -3.262 -3.313 -3.364 -3.415 -3.466 -3.518 -3.570 -3.622 -3.675 -3.728 ZnO,aq ZnO(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 2.000 Ref: Shock07 3 -2.000 1 1.000 15 1.000 2 19.745 17.935 16.436 15.179 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.745 17.935 16.436 15.179 14.110 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.744 17.935 16.436 15.178 14.109 13.189 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.744 17.934 16.435 15.178 14.109 13.188 12.386 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.743 17.933 16.434 15.177 14.108 13.188 12.386 11.678 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.741 17.931 16.433 15.175 14.107 13.187 12.385 11.677 11.045 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.738 17.928 16.430 15.173 14.105 13.185 12.383 11.676 11.045 10.472 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.734 17.925 16.427 15.170 14.102 13.182 12.381 11.675 11.044 10.472 9.944 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.729 17.919 16.422 15.165 14.098 13.179 12.379 11.673 11.043 10.473 9.946 9.448 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.722 17.912 16.415 15.159 14.093 13.175 12.375 11.670 11.042 10.473 9.949 9.454 8.980 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.713 17.903 16.407 15.152 14.086 13.169 12.370 11.667 11.040 10.473 9.952 9.462 8.992 8.548 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.701 17.891 16.395 15.141 14.077 13.161 12.364 11.662 11.037 10.473 9.955 9.471 9.009 8.563 8.188 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.692 17.882 16.387 15.134 14.070 13.155 12.359 11.659 11.035 10.473 9.958 9.478 9.021 8.579 8.145 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.678 17.869 16.374 15.122 14.059 13.146 12.352 11.653 11.032 10.472 9.961 9.487 9.038 8.605 8.153 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.665 17.856 16.362 15.111 14.049 13.137 12.345 11.648 11.028 10.471 9.964 9.495 9.054 8.632 8.187 10.128 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.652 17.842 16.349 15.099 14.039 13.128 12.337 11.642 11.025 10.470 9.966 9.502 9.069 8.657 8.228 8.718 9.286 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.639 17.829 16.337 15.088 14.029 13.119 12.330 11.636 11.021 10.469 9.968 9.508 9.083 8.681 8.271 8.373 8.553 8.899 9.400 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.625 17.816 16.325 15.077 14.019 13.111 12.322 11.630 11.017 10.467 9.969 9.514 9.095 8.702 8.311 8.218 8.276 8.410 8.643 8.963 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.612 17.803 16.312 15.065 14.008 13.102 12.315 11.624 11.013 10.465 9.970 9.519 9.105 8.722 8.347 8.131 8.134 8.179 8.281 8.445 8.663 8.902 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.599 17.790 16.300 15.054 13.998 13.092 12.307 11.618 11.008 10.462 9.970 9.522 9.114 8.738 8.379 8.077 8.049 8.049 8.084 8.161 8.280 8.435 8.608 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.586 17.777 16.288 15.043 13.988 13.083 12.299 11.612 11.004 10.460 9.970 9.526 9.121 8.752 8.406 8.042 7.995 7.969 7.966 7.991 8.048 8.136 8.249 8.377 8.505 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.573 17.763 16.275 15.031 13.977 13.074 12.292 11.606 10.999 10.457 9.969 9.528 9.128 8.764 8.428 8.017 7.959 7.915 7.889 7.883 7.901 7.942 8.007 8.091 8.188 8.288 8.384 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.560 17.750 16.263 15.020 13.967 13.065 12.284 11.599 10.994 10.454 9.968 9.530 9.133 8.774 8.446 8.000 7.933 7.878 7.836 7.810 7.802 7.812 7.842 7.890 7.953 8.027 8.107 8.187 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.546 17.737 16.250 15.008 13.957 13.056 12.276 11.593 10.989 10.451 9.967 9.531 9.137 8.781 8.460 7.988 7.915 7.852 7.799 7.759 7.733 7.722 7.727 7.747 7.782 7.830 7.887 7.951 8.019 8.088 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.533 17.724 16.238 14.997 13.947 13.047 12.268 11.586 10.984 10.447 9.965 9.531 9.139 8.787 8.470 7.980 7.902 7.833 7.773 7.723 7.684 7.658 7.644 7.644 7.657 7.682 7.718 7.763 7.815 7.873 7.934 99999.999 99999.999 99999.999 99999.999 99999.999 19.520 17.711 16.226 14.986 13.936 13.038 12.260 11.580 10.979 10.444 9.964 9.531 9.141 8.791 8.477 7.974 7.893 7.819 7.753 7.696 7.649 7.611 7.584 7.568 7.564 7.571 7.588 7.616 7.651 7.694 7.743 7.797 7.857 99999.999 99999.999 99999.999 19.507 17.698 16.214 14.974 13.926 13.028 12.252 11.573 10.974 10.440 9.962 9.531 9.143 8.793 8.481 7.970 7.886 7.809 7.739 7.677 7.622 7.576 7.539 7.512 7.494 7.487 7.489 7.501 7.521 7.549 7.585 7.627 7.675 7.729 99999.999 99999.999 19.494 17.685 16.201 14.963 13.915 13.019 12.244 11.566 10.968 10.436 9.959 9.530 9.143 8.795 8.484 7.968 7.882 7.802 7.729 7.662 7.602 7.550 7.506 7.469 7.442 7.423 7.413 7.411 7.418 7.433 7.455 7.485 7.521 7.564 7.613 7.668 19.481 17.672 16.189 14.952 13.905 13.010 12.235 11.559 10.963 10.432 9.957 9.529 9.144 8.797 8.486 7.966 7.879 7.797 7.721 7.651 7.588 7.530 7.480 7.437 7.401 7.373 7.353 7.341 7.337 7.340 7.350 7.368 7.393 7.424 7.462 7.506 19.351 17.543 16.067 14.838 13.801 12.916 12.152 11.487 10.903 10.386 9.925 9.511 9.138 8.802 8.498 7.977 7.885 7.797 7.713 7.632 7.555 7.481 7.410 7.343 7.279 7.219 7.161 7.107 7.056 7.008 6.963 6.922 6.884 6.850 6.819 6.791 19.221 17.415 15.945 14.725 13.697 12.820 12.066 11.412 10.838 10.332 9.883 9.481 9.119 8.794 8.500 7.993 7.903 7.816 7.733 7.653 7.575 7.501 7.429 7.359 7.293 7.228 7.166 7.106 7.048 6.992 6.938 6.885 6.835 6.787 6.740 6.695 19.093 17.287 15.824 14.612 13.592 12.725 11.979 11.333 10.769 10.273 9.834 9.442 9.091 8.776 8.491 8.001 7.914 7.830 7.749 7.671 7.596 7.524 7.454 7.386 7.321 7.257 7.196 7.137 7.079 7.023 6.969 6.916 6.864 6.814 6.765 6.718 18.965 17.161 15.704 14.500 13.488 12.628 11.891 11.253 10.697 10.210 9.779 9.397 9.056 8.749 8.474 8.000 7.916 7.835 7.757 7.682 7.610 7.540 7.473 7.408 7.345 7.284 7.225 7.168 7.112 7.058 7.006 6.954 6.905 6.856 6.808 6.762 18.838 17.036 15.585 14.388 13.384 12.532 11.802 11.172 10.624 10.144 9.722 9.347 9.014 8.717 8.449 7.991 7.910 7.832 7.757 7.685 7.616 7.548 7.484 7.421 7.361 7.303 7.246 7.192 7.138 7.087 7.037 6.988 6.941 6.894 6.849 6.805 18.713 16.912 15.467 14.277 13.280 12.435 11.713 11.090 10.549 10.076 9.661 9.294 8.969 8.679 8.419 7.975 7.897 7.822 7.750 7.680 7.613 7.549 7.487 7.427 7.369 7.313 7.260 7.207 7.157 7.108 7.060 7.014 6.969 6.925 6.882 6.841 18.588 16.789 15.349 14.166 13.177 12.339 11.623 11.007 10.473 10.007 9.598 9.238 8.920 8.637 8.384 7.954 7.878 7.806 7.736 7.669 7.605 7.543 7.483 7.426 7.370 7.317 7.265 7.215 7.167 7.120 7.075 7.031 6.989 6.947 6.907 6.867 99999.999 16.667 15.233 14.056 13.074 12.243 11.534 10.924 10.396 9.936 9.534 9.180 8.868 8.591 8.345 7.927 7.854 7.784 7.717 7.652 7.590 7.530 7.473 7.418 7.365 7.314 7.264 7.216 7.170 7.126 7.083 7.041 7.000 6.961 6.923 6.886 ZnOH+ ZnOH(+1) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 3 -1.000 1 1.000 2 1.000 15 9.048 7.841 6.824 5.958 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.048 7.841 6.824 5.958 5.214 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.048 7.842 6.824 5.958 5.214 4.567 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.048 7.842 6.824 5.958 5.214 4.567 3.998 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.048 7.842 6.824 5.958 5.214 4.567 3.998 3.490 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.048 7.842 6.824 5.958 5.215 4.568 3.998 3.491 3.034 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.049 7.842 6.824 5.959 5.215 4.568 3.999 3.492 3.035 2.617 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.049 7.842 6.824 5.959 5.215 4.569 4.000 3.493 3.036 2.619 2.231 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.050 7.843 6.825 5.960 5.216 4.570 4.001 3.495 3.039 2.622 2.235 1.867 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.050 7.843 6.825 5.960 5.217 4.571 4.002 3.497 3.041 2.626 2.240 1.875 1.525 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.051 7.844 6.826 5.961 5.218 4.572 4.004 3.499 3.045 2.630 2.247 1.884 1.537 1.217 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.052 7.845 6.827 5.962 5.219 4.574 4.007 3.502 3.049 2.636 2.255 1.896 1.553 1.228 0.986 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.053 7.845 6.827 5.963 5.220 4.575 4.008 3.505 3.052 2.641 2.261 1.904 1.565 1.241 0.937 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.054 7.846 6.828 5.963 5.221 4.577 4.011 3.508 3.057 2.646 2.269 1.917 1.583 1.263 0.935 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.055 7.846 6.829 5.964 5.222 4.578 4.013 3.511 3.061 2.652 2.277 1.928 1.600 1.286 0.959 2.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.055 7.847 6.829 5.965 5.223 4.580 4.015 3.514 3.065 2.657 2.284 1.939 1.616 1.309 0.991 1.552 2.123 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.056 7.847 6.829 5.966 5.224 4.581 4.017 3.517 3.068 2.663 2.292 1.949 1.631 1.331 1.025 1.221 1.419 1.777 2.300 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.057 7.847 6.830 5.966 5.225 4.582 4.019 3.519 3.072 2.667 2.298 1.959 1.645 1.351 1.059 1.072 1.151 1.304 1.554 1.897 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.057 7.848 6.830 5.966 5.226 4.584 4.021 3.522 3.075 2.672 2.304 1.968 1.657 1.370 1.090 0.988 1.014 1.080 1.201 1.385 1.626 1.896 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.058 7.848 6.830 5.967 5.226 4.585 4.022 3.524 3.079 2.676 2.310 1.976 1.669 1.387 1.118 0.936 0.932 0.954 1.010 1.106 1.246 1.424 1.625 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.058 7.848 6.830 5.967 5.227 4.586 4.024 3.526 3.082 2.680 2.316 1.983 1.680 1.402 1.142 0.901 0.879 0.875 0.894 0.940 1.017 1.125 1.261 1.415 1.573 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.058 7.848 6.830 5.967 5.227 4.586 4.025 3.528 3.084 2.684 2.321 1.990 1.689 1.415 1.163 0.878 0.843 0.822 0.818 0.834 0.871 0.933 1.018 1.124 1.244 1.371 1.496 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.058 7.848 6.830 5.967 5.228 4.587 4.026 3.530 3.087 2.688 2.326 1.997 1.698 1.426 1.180 0.862 0.818 0.786 0.766 0.761 0.773 0.804 0.853 0.920 1.004 1.100 1.203 1.309 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.058 7.848 6.830 5.967 5.228 4.588 4.028 3.532 3.090 2.691 2.331 2.003 1.705 1.436 1.194 0.851 0.801 0.760 0.730 0.711 0.705 0.713 0.737 0.776 0.831 0.898 0.976 1.061 1.150 1.242 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.058 7.847 6.830 5.967 5.228 4.588 4.029 3.534 3.092 2.695 2.335 2.008 1.712 1.445 1.205 0.843 0.789 0.742 0.703 0.674 0.656 0.649 0.654 0.672 0.704 0.747 0.801 0.865 0.936 1.013 1.094 99999.999 99999.999 99999.999 99999.999 99999.999 9.058 7.847 6.830 5.967 5.229 4.589 4.030 3.535 3.095 2.698 2.339 2.013 1.718 1.452 1.213 0.839 0.780 0.729 0.684 0.648 0.620 0.602 0.593 0.596 0.609 0.634 0.669 0.713 0.766 0.826 0.892 0.963 1.038 99999.999 99999.999 99999.999 9.058 7.847 6.829 5.967 5.229 4.589 4.031 3.537 3.097 2.701 2.343 2.018 1.724 1.458 1.220 0.836 0.775 0.719 0.670 0.628 0.593 0.566 0.548 0.539 0.539 0.548 0.567 0.595 0.631 0.676 0.727 0.784 0.846 0.914 99999.999 99999.999 9.058 7.846 6.829 5.967 5.229 4.590 4.031 3.538 3.099 2.704 2.347 2.023 1.729 1.463 1.225 0.835 0.771 0.713 0.660 0.614 0.573 0.540 0.514 0.495 0.485 0.482 0.488 0.503 0.525 0.555 0.592 0.636 0.685 0.741 0.801 0.867 9.058 7.846 6.829 5.967 5.229 4.590 4.032 3.540 3.101 2.707 2.350 2.027 1.733 1.468 1.230 0.835 0.769 0.709 0.653 0.603 0.559 0.520 0.488 0.462 0.443 0.431 0.427 0.430 0.441 0.459 0.483 0.514 0.552 0.595 0.644 0.698 9.053 7.839 6.822 5.961 5.226 4.590 4.036 3.548 3.115 2.728 2.378 2.062 1.774 1.513 1.275 0.865 0.792 0.723 0.656 0.592 0.531 0.473 0.418 0.365 0.315 0.268 0.223 0.182 0.143 0.107 0.074 0.044 0.016 -0.008 -0.030 -0.048 9.043 7.828 6.811 5.952 5.218 4.585 4.034 3.550 3.122 2.740 2.396 2.086 1.804 1.548 1.315 0.907 0.834 0.763 0.695 0.630 0.566 0.505 0.446 0.389 0.333 0.280 0.229 0.179 0.131 0.084 0.039 -0.004 -0.046 -0.086 -0.125 -0.163 9.029 7.813 6.797 5.939 5.207 4.577 4.028 3.548 3.123 2.745 2.407 2.102 1.826 1.575 1.346 0.945 0.873 0.803 0.736 0.671 0.608 0.547 0.487 0.430 0.374 0.320 0.268 0.217 0.167 0.118 0.071 0.025 -0.020 -0.064 -0.106 -0.148 9.013 7.796 6.781 5.925 5.194 4.565 4.019 3.542 3.120 2.746 2.412 2.112 1.840 1.594 1.369 0.977 0.906 0.838 0.772 0.708 0.646 0.586 0.527 0.471 0.416 0.363 0.311 0.260 0.211 0.163 0.116 0.070 0.025 -0.019 -0.062 -0.104 8.995 7.778 6.763 5.908 5.179 4.552 4.008 3.533 3.115 2.744 2.413 2.117 1.849 1.607 1.387 1.002 0.933 0.866 0.802 0.739 0.678 0.620 0.563 0.507 0.454 0.401 0.351 0.301 0.253 0.206 0.160 0.115 0.071 0.028 -0.014 -0.056 8.976 7.758 6.744 5.890 5.163 4.537 3.996 3.522 3.106 2.738 2.411 2.118 1.854 1.616 1.400 1.022 0.955 0.889 0.826 0.765 0.705 0.648 0.592 0.538 0.486 0.435 0.385 0.337 0.290 0.244 0.200 0.156 0.113 0.071 0.030 -0.010 8.955 7.737 6.723 5.870 5.145 4.521 3.981 3.510 3.097 2.731 2.406 2.116 1.856 1.621 1.408 1.038 0.971 0.907 0.845 0.785 0.727 0.671 0.617 0.564 0.513 0.463 0.415 0.368 0.322 0.277 0.234 0.191 0.150 0.109 0.070 0.031 99999.999 7.716 6.702 5.850 5.126 4.504 3.966 3.497 3.085 2.722 2.399 2.112 1.854 1.622 1.413 1.049 0.984 0.921 0.860 0.801 0.745 0.690 0.636 0.585 0.535 0.486 0.439 0.393 0.349 0.305 0.263 0.222 0.181 0.142 0.103 0.065 ZnO2-2 ZnO2(-2) P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 4.000 Ref: Shock07 3 -4.000 1 1.000 15 2.000 2 43.327 40.525 38.219 36.302 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.327 40.525 38.219 36.302 34.695 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.326 40.524 38.218 36.301 34.694 33.341 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.325 40.522 38.217 36.300 34.693 33.340 32.198 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.322 40.519 38.214 36.297 34.690 33.337 32.196 31.235 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.317 40.515 38.210 36.293 34.686 33.333 32.191 31.230 30.428 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.310 40.508 38.203 36.286 34.679 33.326 32.184 31.223 30.420 29.763 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.300 40.498 38.194 36.277 34.670 33.317 32.174 31.213 30.409 29.750 29.232 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.286 40.485 38.181 36.264 34.658 33.304 32.161 31.198 30.393 29.732 29.210 28.835 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.267 40.467 38.164 36.248 34.641 33.287 32.143 31.179 30.372 29.708 29.181 28.798 28.586 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.242 40.444 38.141 36.225 34.619 33.264 32.120 31.155 30.346 29.677 29.144 28.750 28.517 28.519 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.211 40.413 38.112 36.197 34.591 33.236 32.090 31.123 30.311 29.639 29.098 28.691 28.433 28.379 28.773 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.186 40.390 38.090 36.175 34.569 33.214 32.068 31.099 30.285 29.609 29.063 28.647 28.373 28.283 28.543 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.151 40.357 38.057 36.144 34.537 33.182 32.035 31.065 30.248 29.568 29.014 28.586 28.291 28.160 28.303 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.116 40.324 38.025 36.112 34.506 33.151 32.003 31.031 30.211 29.527 28.967 28.528 28.215 28.050 28.112 30.079 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.082 40.291 37.994 36.081 34.476 33.119 31.971 30.997 30.175 29.487 28.922 28.473 28.144 27.949 27.950 28.526 29.276 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.048 40.258 37.962 36.050 34.445 33.089 31.939 30.964 30.140 29.448 28.877 28.420 28.076 27.857 27.808 28.052 28.379 28.922 29.791 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.013 40.225 37.930 36.019 34.414 33.058 31.908 30.931 30.105 29.410 28.834 28.369 28.013 27.772 27.681 27.766 27.957 28.248 28.684 29.310 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.979 40.192 37.899 35.989 34.384 33.027 31.877 30.899 30.070 29.372 28.792 28.320 27.952 27.693 27.567 27.557 27.681 27.864 28.128 28.495 28.988 29.612 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.945 40.160 37.868 35.958 34.354 32.997 31.846 30.867 30.036 29.336 28.751 28.272 27.894 27.619 27.464 27.388 27.471 27.596 27.773 28.014 28.333 28.741 29.238 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.912 40.127 37.836 35.928 34.324 32.967 31.815 30.835 30.003 29.299 28.710 28.226 27.839 27.550 27.370 27.246 27.301 27.387 27.512 27.682 27.905 28.187 28.536 28.948 29.416 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.878 40.095 37.805 35.898 34.294 32.937 31.785 30.804 29.970 29.264 28.671 28.181 27.787 27.486 27.285 27.121 27.155 27.216 27.305 27.429 27.592 27.798 28.052 28.356 28.706 29.098 29.520 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.845 40.063 37.774 35.868 34.264 32.908 31.755 30.773 29.937 29.229 28.633 28.138 27.736 27.425 27.206 27.009 27.028 27.068 27.133 27.225 27.347 27.502 27.694 27.924 28.193 28.497 28.831 29.188 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.811 40.031 37.744 35.838 34.235 32.878 31.725 30.742 29.905 29.194 28.595 28.096 27.688 27.367 27.134 26.908 26.914 26.938 26.984 27.052 27.145 27.264 27.413 27.592 27.802 28.042 28.309 28.599 28.906 29.223 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.778 40.000 37.713 35.808 34.206 32.849 31.695 30.711 29.873 29.160 28.558 28.055 27.641 27.313 27.067 26.814 26.810 26.822 26.852 26.902 26.973 27.066 27.182 27.324 27.491 27.683 27.900 28.137 28.391 28.659 28.934 99999.999 99999.999 99999.999 99999.999 99999.999 42.745 39.968 37.683 35.778 34.176 32.820 31.665 30.681 29.841 29.127 28.522 28.015 27.596 27.261 27.005 26.728 26.714 26.716 26.734 26.769 26.822 26.894 26.987 27.100 27.235 27.391 27.568 27.764 27.977 28.202 28.437 28.678 28.919 99999.999 99999.999 99999.999 42.713 39.936 37.652 35.749 34.147 32.791 31.636 30.651 29.810 29.093 28.486 27.976 27.553 27.211 26.946 26.646 26.625 26.618 26.626 26.649 26.688 26.744 26.817 26.908 27.018 27.146 27.293 27.456 27.634 27.826 28.027 28.236 28.448 28.660 99999.999 99999.999 42.680 39.905 37.622 35.719 34.118 32.762 31.607 30.621 29.779 29.061 28.451 27.937 27.510 27.163 26.891 26.569 26.542 26.527 26.526 26.539 26.566 26.609 26.666 26.740 26.830 26.936 27.058 27.195 27.346 27.509 27.682 27.863 28.049 28.238 28.426 28.611 42.648 39.874 37.592 35.690 34.090 32.733 31.578 30.592 29.748 29.028 28.416 27.900 27.469 27.117 26.839 26.497 26.463 26.442 26.434 26.438 26.455 26.486 26.531 26.590 26.664 26.752 26.854 26.970 27.098 27.238 27.387 27.545 27.709 27.876 28.045 28.212 42.330 39.567 37.296 35.403 33.808 32.455 31.299 30.307 29.455 28.723 28.093 27.554 27.095 26.707 26.384 25.912 25.844 25.784 25.732 25.689 25.653 25.626 25.606 25.594 25.589 25.592 25.603 25.620 25.644 25.675 25.712 25.755 25.804 25.857 25.915 25.977 42.025 39.270 37.010 35.126 33.538 32.188 31.033 30.040 29.183 28.443 27.802 27.248 26.771 26.361 26.011 25.469 25.384 25.306 25.234 25.169 25.111 25.059 25.014 24.974 24.941 24.913 24.890 24.874 24.862 24.855 24.853 24.856 24.864 24.876 24.891 24.911 41.730 38.982 36.732 34.857 33.276 31.931 30.778 29.785 28.926 28.181 27.533 26.970 26.480 26.055 25.688 25.101 25.005 24.916 24.833 24.755 24.684 24.618 24.558 24.503 24.454 24.409 24.369 24.334 24.304 24.278 24.256 24.238 24.225 24.215 24.209 24.206 41.443 38.702 36.462 34.595 33.021 31.682 30.533 29.541 28.682 27.934 27.281 26.711 26.213 25.777 25.397 24.780 24.677 24.580 24.489 24.403 24.323 24.248 24.179 24.114 24.054 23.999 23.948 23.902 23.860 23.822 23.787 23.757 23.730 23.707 23.688 23.671 41.162 38.428 36.197 34.340 32.774 31.440 30.295 29.306 28.447 27.698 27.042 26.468 25.963 25.520 25.131 24.492 24.383 24.281 24.184 24.093 24.006 23.925 23.849 23.778 23.711 23.648 23.590 23.536 23.486 23.439 23.397 23.358 23.322 23.290 23.261 23.236 40.886 38.159 35.938 34.090 32.532 31.204 30.063 29.077 28.220 27.471 26.814 26.237 25.728 25.280 24.884 24.228 24.116 24.009 23.908 23.812 23.722 23.636 23.555 23.478 23.406 23.338 23.275 23.215 23.159 23.107 23.058 23.013 22.971 22.933 22.897 22.865 40.616 37.894 35.684 33.846 32.295 30.973 29.838 28.855 28.000 27.252 26.595 26.016 25.505 25.053 24.652 23.983 23.868 23.759 23.654 23.555 23.461 23.372 23.287 23.207 23.131 23.059 22.991 22.927 22.867 22.810 22.757 22.708 22.661 22.618 22.578 22.541 99999.999 37.634 35.434 33.605 32.062 30.747 29.617 28.639 27.787 27.040 26.384 25.804 25.291 24.836 24.432 23.754 23.637 23.525 23.418 23.317 23.220 23.128 23.041 22.957 22.878 22.803 22.733 22.665 22.602 22.542 22.485 22.432 22.382 22.336 22.292 22.251 HZnO2- HZnO2(-1) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 3.000 Ref: Shock07 3 -3.000 1 1.000 15 2.000 2 29.828 27.748 26.003 24.529 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.828 27.748 26.003 24.529 23.273 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.827 27.748 26.003 24.528 23.272 22.195 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.826 27.747 26.002 24.527 23.271 22.194 21.265 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.824 27.745 26.000 24.525 23.270 22.192 21.263 20.458 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.821 27.742 25.997 24.523 23.267 22.190 21.261 20.456 19.757 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.816 27.737 25.993 24.519 23.263 22.186 21.257 20.452 19.753 19.149 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.809 27.731 25.987 24.513 23.257 22.180 21.251 20.446 19.748 19.143 18.624 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.800 27.722 25.978 24.505 23.250 22.173 21.244 20.438 19.740 19.134 18.614 18.177 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.788 27.711 25.967 24.494 23.239 22.163 21.233 20.428 19.729 19.123 18.601 18.161 17.815 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.772 27.695 25.953 24.480 23.226 22.149 21.220 20.415 19.715 19.108 18.584 18.141 17.786 17.562 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.751 27.675 25.934 24.462 23.208 22.132 21.203 20.397 19.697 19.089 18.564 18.117 17.752 17.497 17.513 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.734 27.660 25.919 24.448 23.195 22.119 21.190 20.384 19.683 19.074 18.548 18.098 17.728 17.456 17.367 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.711 27.638 25.898 24.428 23.175 22.100 21.171 20.365 19.664 19.054 18.525 18.072 17.696 17.406 17.246 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.688 27.616 25.877 24.408 23.156 22.081 21.152 20.346 19.644 19.033 18.503 18.048 17.665 17.364 17.164 19.332 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.664 27.594 25.856 24.388 23.136 22.062 21.133 20.327 19.625 19.013 18.482 18.024 17.637 17.326 17.102 17.706 18.429 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.641 27.572 25.835 24.368 23.117 22.043 21.114 20.308 19.606 18.993 18.460 18.000 17.610 17.291 17.051 17.259 17.537 18.024 18.773 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.618 27.550 25.815 24.348 23.097 22.024 21.096 20.290 19.587 18.974 18.440 17.977 17.584 17.259 17.007 17.020 17.156 17.389 17.753 18.269 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.595 27.528 25.794 24.328 23.078 22.005 21.077 20.271 19.568 18.954 18.419 17.955 17.559 17.229 16.968 16.860 16.929 17.054 17.253 17.541 17.928 18.396 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.572 27.506 25.773 24.308 23.059 21.986 21.058 20.252 19.549 18.935 18.399 17.933 17.534 17.200 16.932 16.741 16.771 16.838 16.953 17.124 17.361 17.666 18.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.548 27.484 25.752 24.288 23.039 21.967 21.040 20.234 19.531 18.916 18.379 17.912 17.510 17.172 16.898 16.645 16.650 16.682 16.747 16.852 17.002 17.201 17.450 17.741 18.062 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.525 27.462 25.731 24.268 23.020 21.948 21.021 20.216 19.512 18.897 18.359 17.891 17.487 17.145 16.866 16.565 16.552 16.560 16.594 16.656 16.752 16.884 17.055 17.263 17.503 17.766 18.044 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.502 27.440 25.710 24.248 23.001 21.930 21.003 20.197 19.494 18.878 18.340 17.870 17.464 17.119 16.835 16.497 16.470 16.461 16.473 16.506 16.566 16.653 16.771 16.918 17.095 17.297 17.518 17.752 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.480 27.419 25.690 24.228 22.982 21.911 20.985 20.179 19.476 18.860 18.320 17.849 17.442 17.094 16.805 16.436 16.400 16.378 16.373 16.386 16.420 16.476 16.556 16.660 16.790 16.942 17.114 17.302 17.501 17.707 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.457 27.397 25.669 24.208 22.963 21.892 20.966 20.161 19.457 18.841 18.301 17.829 17.419 17.069 16.776 16.382 16.337 16.305 16.288 16.286 16.300 16.334 16.386 16.459 16.553 16.667 16.799 16.948 17.110 17.281 17.459 99999.999 99999.999 99999.999 99999.999 99999.999 29.434 27.375 25.648 24.188 22.944 21.874 20.948 20.143 19.439 18.823 18.282 17.809 17.398 17.044 16.748 16.333 16.282 16.241 16.214 16.200 16.200 16.216 16.248 16.297 16.364 16.448 16.549 16.665 16.795 16.935 17.085 17.239 17.398 99999.999 99999.999 99999.999 29.411 27.353 25.628 24.169 22.925 21.855 20.930 20.125 19.421 18.804 18.263 17.789 17.376 17.020 16.720 16.288 16.231 16.184 16.149 16.125 16.114 16.116 16.132 16.163 16.209 16.270 16.345 16.435 16.538 16.652 16.775 16.905 17.041 17.181 99999.999 99999.999 29.388 27.332 25.607 24.149 22.905 21.837 20.912 20.107 19.403 18.786 18.244 17.769 17.355 16.997 16.693 16.246 16.184 16.132 16.090 16.058 16.038 16.030 16.033 16.049 16.079 16.121 16.177 16.245 16.325 16.416 16.517 16.625 16.740 16.860 16.983 17.108 29.365 27.310 25.586 24.129 22.886 21.818 20.894 20.089 19.385 18.768 18.226 17.750 17.334 16.974 16.666 16.207 16.141 16.084 16.037 15.999 15.971 15.953 15.947 15.951 15.967 15.995 16.034 16.085 16.147 16.218 16.299 16.389 16.485 16.586 16.692 16.801 29.140 27.095 25.382 23.934 22.698 21.636 20.715 19.913 19.211 18.593 18.048 17.566 17.141 16.767 16.438 15.906 15.819 15.737 15.661 15.591 15.527 15.469 15.416 15.368 15.326 15.289 15.258 15.232 15.211 15.195 15.184 15.178 15.176 15.179 15.186 15.196 28.919 26.884 25.181 23.741 22.513 21.457 20.541 19.742 19.042 18.425 17.880 17.396 16.967 16.585 16.247 15.684 15.588 15.497 15.411 15.329 15.253 15.180 15.112 15.048 14.989 14.933 14.881 14.833 14.789 14.748 14.711 14.676 14.645 14.618 14.592 14.570 28.701 26.675 24.982 23.551 22.331 21.281 20.370 19.576 18.878 18.263 17.719 17.235 16.804 16.419 16.076 15.497 15.396 15.301 15.209 15.122 15.039 14.961 14.886 14.814 14.747 14.682 14.622 14.564 14.509 14.458 14.409 14.363 14.320 14.279 14.241 14.205 28.486 26.469 24.786 23.364 22.151 21.107 20.202 19.412 18.718 18.106 17.563 17.080 16.648 16.263 15.917 15.329 15.227 15.128 15.034 14.944 14.857 14.775 14.696 14.621 14.549 14.480 14.414 14.352 14.292 14.235 14.180 14.128 14.079 14.032 13.987 13.944 28.273 26.266 24.592 23.179 21.974 20.937 20.037 19.252 18.562 17.952 17.411 16.930 16.499 16.113 15.767 15.175 15.070 14.970 14.875 14.783 14.694 14.610 14.529 14.451 14.377 14.305 14.237 14.171 14.108 14.048 13.990 13.935 13.882 13.831 13.782 13.735 28.063 26.064 24.401 22.997 21.799 20.769 19.875 19.094 18.408 17.802 17.263 16.784 16.355 15.969 15.623 15.029 14.924 14.823 14.726 14.634 14.544 14.458 14.376 14.297 14.221 14.148 14.077 14.010 13.945 13.883 13.823 13.766 13.710 13.657 13.606 13.557 27.855 25.866 24.211 22.816 21.627 20.603 19.715 18.939 18.257 17.654 17.119 16.641 16.214 15.830 15.484 14.890 14.785 14.684 14.587 14.493 14.403 14.317 14.233 14.153 14.076 14.002 13.931 13.863 13.797 13.733 13.672 13.613 13.557 13.502 13.450 13.399 99999.999 25.669 24.024 22.638 21.456 20.439 19.557 18.786 18.108 17.509 16.977 16.502 16.077 15.695 15.350 14.757 14.651 14.550 14.453 14.359 14.269 14.182 14.099 14.018 13.941 13.866 13.794 13.725 13.658 13.594 13.532 13.473 13.415 13.360 13.307 13.255 Fe(Ac)+ FeCH3COO+ P-T:All Charge = 1. Radius(Å) = 2.50 Alk. = 0.000 Ref: Shock07 2 1.000 11 1.000 35 -1.428 -1.290 -1.296 -1.381 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.428 -1.290 -1.296 -1.381 -1.517 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.428 -1.290 -1.296 -1.381 -1.517 -1.690 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.428 -1.290 -1.296 -1.380 -1.516 -1.690 -1.894 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.428 -1.289 -1.295 -1.380 -1.515 -1.689 -1.893 -2.125 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.427 -1.289 -1.294 -1.379 -1.514 -1.688 -1.892 -2.124 -2.382 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.421 -1.281 -1.286 -1.369 -1.503 -1.675 -1.876 -2.104 -2.358 -2.640 -2.956 -3.321 -3.754 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.419 -1.278 -1.282 -1.365 -1.498 -1.669 -1.869 -2.095 -2.347 -2.625 -2.937 -3.293 -3.712 -4.232 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.416 -1.274 -1.277 -1.359 -1.492 -1.661 -1.859 -2.084 -2.333 -2.607 -2.912 -3.258 -3.660 -4.150 -4.829 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.414 -1.271 -1.274 -1.355 -1.487 -1.655 -1.852 -2.075 -2.322 -2.593 -2.894 -3.232 -3.622 -4.091 -4.734 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.411 -1.267 -1.269 -1.349 -1.480 -1.647 -1.843 -2.063 -2.307 -2.574 -2.869 -3.197 -3.571 -4.013 -4.603 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.409 -1.263 -1.264 -1.344 -1.473 -1.639 -1.833 -2.052 -2.293 -2.556 -2.845 -3.165 -3.523 -3.941 -4.484 -4.842 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.407 -1.260 -1.260 -1.338 -1.467 -1.632 -1.824 -2.041 -2.279 -2.539 -2.823 -3.134 -3.479 -3.875 -4.375 -4.842 -4.997 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.405 -1.257 -1.256 -1.333 -1.461 -1.624 -1.815 -2.030 -2.266 -2.522 -2.801 -3.105 -3.438 -3.814 -4.277 -4.799 -4.953 -5.126 -5.388 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.404 -1.254 -1.252 -1.329 -1.455 -1.617 -1.807 -2.019 -2.253 -2.506 -2.781 -3.077 -3.400 -3.759 -4.188 -4.743 -4.898 -5.059 -5.240 -5.474 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.403 -1.251 -1.248 -1.324 -1.450 -1.611 -1.799 -2.009 -2.240 -2.491 -2.761 -3.051 -3.365 -3.708 -4.108 -4.687 -4.839 -4.996 -5.162 -5.346 -5.566 -5.848 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.402 -1.249 -1.245 -1.320 -1.444 -1.604 -1.791 -2.000 -2.229 -2.476 -2.742 -3.027 -3.332 -3.662 -4.037 -4.633 -4.781 -4.934 -5.093 -5.261 -5.445 -5.655 -5.905 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.402 -1.247 -1.242 -1.316 -1.439 -1.598 -1.783 -1.990 -2.217 -2.462 -2.724 -3.004 -3.301 -3.620 -3.974 -4.582 -4.727 -4.875 -5.029 -5.188 -5.357 -5.539 -5.741 -5.969 -6.228 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.402 -1.245 -1.239 -1.312 -1.434 -1.592 -1.776 -1.981 -2.206 -2.448 -2.707 -2.982 -3.273 -3.581 -3.918 -4.534 -4.675 -4.819 -4.968 -5.122 -5.282 -5.449 -5.628 -5.822 -6.034 -6.266 -6.518 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.403 -1.244 -1.236 -1.308 -1.430 -1.586 -1.768 -1.972 -2.195 -2.435 -2.691 -2.961 -3.246 -3.546 -3.868 -4.488 -4.626 -4.767 -4.911 -5.060 -5.213 -5.373 -5.539 -5.714 -5.901 -6.099 -6.311 -6.535 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.403 -1.242 -1.233 -1.304 -1.425 -1.580 -1.761 -1.964 -2.185 -2.422 -2.675 -2.942 -3.221 -3.515 -3.825 -4.445 -4.579 -4.717 -4.858 -5.002 -5.151 -5.303 -5.461 -5.625 -5.796 -5.975 -6.163 -6.359 -6.562 -6.769 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.404 -1.241 -1.231 -1.301 -1.421 -1.575 -1.755 -1.956 -2.175 -2.410 -2.660 -2.923 -3.198 -3.486 -3.786 -4.403 -4.535 -4.670 -4.807 -4.948 -5.092 -5.239 -5.391 -5.547 -5.708 -5.875 -6.047 -6.225 -6.408 -6.594 -6.782 99999.999 99999.999 99999.999 99999.999 99999.999 -1.405 -1.240 -1.229 -1.298 -1.417 -1.570 -1.748 -1.948 -2.165 -2.398 -2.645 -2.905 -3.177 -3.459 -3.753 -4.364 -4.494 -4.625 -4.760 -4.897 -5.037 -5.180 -5.327 -5.477 -5.631 -5.789 -5.951 -6.116 -6.285 -6.457 -6.629 -6.801 -6.971 99999.999 99999.999 99999.999 -1.407 -1.239 -1.227 -1.295 -1.413 -1.565 -1.742 -1.940 -2.155 -2.386 -2.631 -2.888 -3.156 -3.434 -3.722 -4.327 -4.454 -4.583 -4.714 -4.848 -4.985 -5.124 -5.267 -5.412 -5.560 -5.712 -5.866 -6.023 -6.183 -6.344 -6.506 -6.667 -6.826 -6.981 99999.999 99999.999 -1.409 -1.239 -1.225 -1.292 -1.409 -1.560 -1.736 -1.933 -2.146 -2.375 -2.618 -2.872 -3.137 -3.412 -3.695 -4.291 -4.416 -4.542 -4.671 -4.802 -4.936 -5.072 -5.210 -5.351 -5.495 -5.641 -5.790 -5.941 -6.093 -6.247 -6.401 -6.554 -6.706 -6.854 -6.998 -7.137 -1.411 -1.238 -1.223 -1.289 -1.405 -1.555 -1.730 -1.925 -2.137 -2.364 -2.605 -2.856 -3.118 -3.390 -3.670 -4.257 -4.379 -4.504 -4.630 -4.758 -4.889 -5.022 -5.157 -5.295 -5.435 -5.576 -5.720 -5.866 -6.013 -6.161 -6.309 -6.456 -6.602 -6.746 -6.885 -7.020 -1.443 -1.245 -1.215 -1.271 -1.377 -1.517 -1.682 -1.864 -2.062 -2.272 -2.493 -2.723 -2.961 -3.206 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-2.800 -2.989 -3.372 -3.449 -3.527 -3.605 -3.682 -3.761 -3.839 -3.917 -3.996 -4.075 -4.154 -4.234 -4.313 -4.393 -4.474 -4.554 -4.635 -4.716 -4.798 -4.880 -4.962 -1.834 -1.454 -1.332 -1.326 -1.383 -1.480 -1.602 -1.742 -1.894 -2.054 -2.220 -2.391 -2.565 -2.742 -2.922 -3.284 -3.357 -3.431 -3.504 -3.577 -3.651 -3.725 -3.799 -3.873 -3.947 -4.022 -4.096 -4.171 -4.247 -4.322 -4.398 -4.473 -4.550 -4.626 -4.703 -4.780 -1.940 -1.518 -1.376 -1.356 -1.403 -1.491 -1.606 -1.739 -1.884 -2.037 -2.196 -2.360 -2.526 -2.695 -2.866 -3.211 -3.280 -3.350 -3.419 -3.489 -3.559 -3.629 -3.699 -3.769 -3.840 -3.910 -3.981 -4.052 -4.123 -4.195 -4.266 -4.338 -4.410 -4.482 -4.555 -4.628 99999.999 -1.587 -1.424 -1.391 -1.427 -1.507 -1.615 -1.741 -1.879 -2.026 -2.179 -2.336 -2.495 -2.657 -2.820 -3.149 -3.215 -3.282 -3.348 -3.415 -3.481 -3.548 -3.615 -3.682 -3.749 -3.816 -3.883 -3.951 -4.019 -4.087 -4.155 -4.223 -4.292 -4.361 -4.430 -4.499 Fe(Ac)2,aq Fe(CH3COO)2 P-T:All Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: Shock07 2 1.000 11 2.000 35 -2.981 -2.485 -2.331 -2.371 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.981 -2.485 -2.331 -2.371 -2.542 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.981 -2.484 -2.330 -2.371 -2.541 -2.807 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.974 -2.477 -2.322 -2.362 -2.532 -2.797 -3.138 -3.547 -4.018 -4.556 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.970 -2.473 -2.317 -2.357 -2.526 -2.790 -3.131 -3.538 -4.007 -4.542 -5.158 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.965 -2.466 -2.311 -2.350 -2.518 -2.781 -3.121 -3.526 -3.993 -4.524 -5.134 -5.848 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-7.897 -8.043 -8.189 U(Ac)+2 UCH3COO+2 P-T:All Charge = 2. Radius(Å) = 8.00 Alk. = 0.000 Ref: Shock07 6 0.625 1 0.375 6 1.000 30 -0.500 2 -0.375 4 1.000 35 11.055 10.504 9.857 9.178 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.055 10.504 9.857 9.178 8.493 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.054 10.503 9.857 9.178 8.492 7.810 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 10.793 10.305 9.695 9.042 8.377 7.713 7.057 6.412 5.779 5.156 4.544 3.941 3.343 2.747 2.143 0.929 0.664 0.386 0.093 -0.222 -0.563 -0.934 -1.336 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.769 10.287 9.680 9.029 8.366 7.704 7.050 6.406 5.774 5.154 4.544 3.943 3.348 2.757 2.162 0.969 0.714 0.452 0.179 -0.108 -0.411 -0.734 -1.078 -1.443 -1.826 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.744 10.268 9.664 9.016 8.355 7.695 7.042 6.400 5.769 5.151 4.543 3.944 3.353 2.766 2.179 1.002 0.755 0.503 0.243 -0.025 -0.305 -0.598 -0.905 -1.229 -1.567 -1.917 -2.276 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.719 10.250 9.649 9.003 8.344 7.686 7.034 6.394 5.765 5.147 4.541 3.945 3.357 2.774 2.193 1.030 0.789 0.545 0.295 0.039 -0.225 -0.498 -0.782 -1.076 -1.383 -1.699 -2.025 -2.356 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.694 10.231 9.634 8.991 8.333 7.676 7.026 6.387 5.760 5.144 4.540 3.946 3.360 2.781 2.205 1.054 0.819 0.580 0.338 0.091 -0.162 -0.421 -0.688 -0.963 -1.246 -1.538 -1.838 -2.143 -2.452 -2.763 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.669 10.212 9.619 8.978 8.322 7.667 7.019 6.381 5.755 5.141 4.538 3.946 3.363 2.787 2.216 1.076 0.844 0.610 0.374 0.134 -0.110 -0.359 -0.614 -0.874 -1.141 -1.415 -1.694 -1.979 -2.268 -2.560 -2.851 99999.999 99999.999 99999.999 99999.999 99999.999 10.644 10.194 9.604 8.965 8.311 7.658 7.011 6.374 5.750 5.137 4.536 3.946 3.365 2.792 2.225 1.095 0.867 0.637 0.405 0.171 -0.067 -0.308 -0.553 -0.803 -1.057 -1.317 -1.581 -1.850 -2.123 -2.398 -2.674 -2.950 -3.224 99999.999 99999.999 99999.999 10.619 10.175 9.588 8.952 8.300 7.648 7.003 6.368 5.744 5.133 4.534 3.945 3.367 2.797 2.233 1.112 0.887 0.660 0.432 0.203 -0.029 -0.264 -0.502 -0.743 -0.988 -1.237 -1.489 -1.746 -2.005 -2.267 -2.530 -2.793 -3.056 -3.317 99999.999 99999.999 10.593 10.156 9.573 8.939 8.289 7.639 6.995 6.361 5.739 5.129 4.532 3.945 3.368 2.801 2.239 1.127 0.905 0.681 0.457 0.231 0.003 -0.226 -0.458 -0.693 -0.930 -1.170 -1.413 -1.659 -1.908 -2.159 -2.411 -2.663 -2.915 -3.167 -3.416 -3.662 10.568 10.137 9.558 8.926 8.278 7.629 6.987 6.354 5.734 5.125 4.529 3.944 3.369 2.804 2.245 1.141 0.921 0.700 0.478 0.256 0.032 -0.193 -0.420 -0.649 -0.880 -1.113 -1.349 -1.587 -1.827 -2.068 -2.311 -2.554 -2.798 -3.040 -3.281 -3.520 10.308 9.945 9.402 8.795 8.166 7.533 6.904 6.285 5.677 5.081 4.498 3.927 3.368 2.820 2.282 1.232 1.025 0.820 0.615 0.411 0.208 0.005 -0.197 -0.399 -0.600 -0.800 -1.001 -1.201 -1.401 -1.600 -1.799 -1.998 -2.196 -2.393 -2.590 -2.786 10.041 9.748 9.244 8.662 8.052 7.434 6.818 6.211 5.614 5.030 4.458 3.899 3.352 2.816 2.292 1.275 1.075 0.878 0.681 0.486 0.292 0.099 -0.092 -0.283 -0.473 -0.661 -0.849 -1.035 -1.221 -1.406 -1.590 -1.773 -1.955 -2.137 -2.317 -2.496 9.768 9.549 9.083 8.527 7.936 7.333 6.730 6.134 5.548 4.974 4.412 3.863 3.326 2.801 2.287 1.293 1.099 0.907 0.716 0.526 0.338 0.152 -0.034 -0.218 -0.401 -0.583 -0.763 -0.942 -1.120 -1.297 -1.473 -1.648 -1.822 -1.995 -2.166 -2.337 9.489 9.346 8.920 8.390 7.818 7.230 6.640 6.055 5.479 4.914 4.362 3.821 3.293 2.777 2.272 1.297 1.107 0.919 0.732 0.547 0.363 0.180 -0.001 -0.180 -0.358 -0.535 -0.711 -0.885 -1.058 -1.230 -1.401 -1.570 -1.739 -1.906 -2.072 -2.237 9.207 9.140 8.755 8.251 7.698 7.126 6.548 5.974 5.408 4.852 4.308 3.775 3.255 2.747 2.250 1.291 1.104 0.919 0.736 0.554 0.373 0.194 0.017 -0.159 -0.334 -0.507 -0.679 -0.850 -1.019 -1.187 -1.354 -1.519 -1.684 -1.847 -2.009 -2.170 8.921 8.933 8.588 8.111 7.578 7.020 6.455 5.892 5.335 4.788 4.251 3.726 3.213 2.712 2.223 1.277 1.094 0.911 0.731 0.551 0.374 0.198 0.023 -0.150 -0.322 -0.492 -0.661 -0.828 -0.995 -1.160 -1.324 -1.486 -1.648 -1.808 -1.967 -2.125 8.632 8.724 8.421 7.970 7.456 6.913 6.361 5.808 5.260 4.721 4.192 3.675 3.169 2.674 2.191 1.258 1.077 0.897 0.719 0.542 0.367 0.193 0.021 -0.149 -0.319 -0.486 -0.653 -0.818 -0.982 -1.144 -1.306 -1.466 -1.625 -1.782 -1.939 -2.094 99999.999 8.513 8.252 7.828 7.333 6.805 6.265 5.723 5.184 4.653 4.131 3.621 3.121 2.633 2.156 1.235 1.055 0.878 0.702 0.527 0.355 0.183 0.013 -0.155 -0.322 -0.488 -0.652 -0.815 -0.977 -1.138 -1.297 -1.455 -1.611 -1.767 -1.921 -2.075 U(Ac)+2 UCH3COO+2 P-T:All Charge = 2. Radius(Å) = 8.00 Alk. = 0.000 Ref: Shock07 5 1.000 1 -0.750 31 1.000 30 -0.500 2 1.000 35 68.092 62.373 57.272 52.721 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.092 62.373 57.272 52.721 48.636 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.092 62.373 57.272 52.721 48.636 44.942 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.092 62.373 57.272 52.722 48.637 44.943 41.577 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.092 62.373 57.273 52.722 48.637 44.943 41.578 38.489 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.092 62.374 57.274 52.723 48.639 44.945 41.579 38.491 35.635 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.092 62.375 57.275 52.725 48.640 44.947 41.582 38.494 35.638 32.977 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.092 62.376 57.277 52.727 48.643 44.950 41.585 38.498 35.643 32.983 30.480 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.092 62.378 57.280 52.730 48.647 44.954 41.590 38.503 35.650 32.991 30.491 28.110 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.092 62.380 57.283 52.735 48.651 44.960 41.596 38.511 35.659 33.003 30.506 28.131 25.829 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.092 62.383 57.287 52.740 48.658 44.967 41.605 38.520 35.670 33.017 30.525 28.158 25.872 23.584 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.092 62.387 57.293 52.747 48.665 44.975 41.615 38.532 35.685 33.035 30.548 28.191 25.922 23.679 21.239 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.091 62.390 57.297 52.752 48.671 44.982 41.623 38.541 35.696 33.048 30.566 28.215 25.959 23.741 21.415 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.091 62.393 57.303 52.759 48.680 44.992 41.634 38.554 35.711 33.067 30.590 28.247 26.006 23.820 21.587 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.090 62.397 57.309 52.766 48.688 45.001 41.645 38.567 35.726 33.085 30.612 28.278 26.050 23.889 21.717 15.935 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.089 62.400 57.314 52.773 48.696 45.010 41.655 38.579 35.740 33.102 30.634 28.307 26.090 23.950 21.824 17.354 15.951 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.087 62.403 57.319 52.780 48.704 45.019 41.665 38.591 35.754 33.119 30.655 28.334 26.128 24.005 21.915 17.760 16.748 15.560 14.106 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.086 62.406 57.325 52.786 48.711 45.028 41.675 38.602 35.768 33.135 30.675 28.360 26.163 24.055 21.995 17.991 17.103 16.144 15.074 13.857 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.084 62.409 57.330 52.792 48.719 45.037 41.685 38.614 35.781 33.151 30.694 28.384 26.195 24.101 22.065 18.153 17.326 16.463 15.547 14.557 13.476 12.303 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.082 62.412 57.334 52.799 48.726 45.045 41.695 38.625 35.794 33.166 30.713 28.408 26.226 24.143 22.128 18.278 17.487 16.677 15.839 14.961 14.031 13.041 11.992 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.080 62.415 57.339 52.805 48.733 45.053 41.704 38.636 35.806 33.181 30.731 28.430 26.255 24.182 22.184 18.381 17.614 16.837 16.045 15.230 14.385 13.504 12.582 11.621 10.630 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.077 62.417 57.344 52.811 48.740 45.061 41.713 38.646 35.818 33.195 30.748 28.451 26.282 24.218 22.235 18.468 17.719 16.965 16.204 15.429 14.636 13.822 12.981 12.112 11.218 10.304 9.379 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.075 62.419 57.348 52.816 48.747 45.069 41.722 38.656 35.830 33.209 30.765 28.472 26.307 24.251 22.281 18.545 17.809 17.072 16.332 15.585 14.828 14.057 13.270 12.465 11.640 10.799 9.946 9.087 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.072 62.421 57.352 52.822 48.754 45.077 41.731 38.666 35.842 33.223 30.781 28.491 26.332 24.282 22.323 18.612 17.887 17.164 16.440 15.713 14.982 14.242 13.492 12.731 11.956 11.170 10.373 9.569 8.762 7.959 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.069 62.423 57.356 52.828 48.761 45.085 41.740 38.676 35.853 33.236 30.797 28.510 26.355 24.311 22.361 18.674 17.957 17.244 16.533 15.822 15.109 14.393 13.670 12.941 12.203 11.457 10.703 9.944 9.181 8.419 7.661 99999.999 99999.999 99999.999 99999.999 99999.999 68.066 62.425 57.360 52.833 48.767 45.092 41.748 38.686 35.864 33.249 30.812 28.528 26.377 24.338 22.395 18.729 18.020 17.316 16.615 15.917 15.219 14.519 13.818 13.112 12.402 11.687 10.967 10.242 9.515 8.788 8.063 7.344 6.633 99999.999 99999.999 99999.999 68.063 62.427 57.364 52.838 48.773 45.099 41.756 38.695 35.875 33.262 30.827 28.545 26.397 24.364 22.428 18.780 18.077 17.381 16.689 16.000 15.314 14.629 13.943 13.257 12.568 11.876 11.182 10.485 9.787 9.089 8.393 7.701 7.015 6.338 99999.999 99999.999 68.059 62.428 57.368 52.843 48.779 45.106 41.765 38.705 35.886 33.274 30.841 28.562 26.418 24.388 22.458 18.828 18.130 17.440 16.755 16.075 15.398 14.724 14.052 13.380 12.709 12.036 11.363 10.688 10.014 9.340 8.667 7.999 7.335 6.678 6.031 5.393 68.056 62.429 57.372 52.848 48.786 45.113 41.773 38.714 35.896 33.286 30.855 28.579 26.437 24.412 22.486 18.872 18.179 17.494 16.815 16.143 15.474 14.810 14.148 13.489 12.831 12.173 11.517 10.860 10.205 9.551 8.899 8.250 7.606 6.968 6.337 5.715 68.012 62.437 57.402 52.893 48.840 45.177 41.845 38.796 35.990 33.393 30.978 28.721 26.603 24.606 22.716 19.205 18.540 17.886 17.242 16.607 15.982 15.365 14.756 14.155 13.561 12.974 12.393 11.819 11.251 10.688 10.132 9.580 9.035 8.494 7.960 7.431 67.957 62.434 57.423 52.927 48.885 45.230 41.906 38.865 36.068 33.482 31.079 28.835 26.733 24.755 22.886 19.431 18.779 18.140 17.511 16.893 16.286 15.688 15.100 14.520 13.950 13.387 12.833 12.286 11.746 11.214 10.688 10.169 9.657 9.151 8.651 8.157 67.891 62.422 57.436 52.955 48.922 45.275 41.958 38.925 36.135 33.557 31.163 28.931 26.840 24.875 23.022 19.603 18.960 18.329 17.710 17.102 16.505 15.918 15.341 14.774 14.215 13.666 13.125 12.593 12.068 11.551 11.041 10.538 10.042 9.553 9.071 8.595 67.818 62.404 57.443 52.976 48.953 45.314 42.004 38.977 36.194 33.623 31.236 29.012 26.931 24.976 23.134 19.742 19.105 18.480 17.868 17.266 16.676 16.097 15.527 14.968 14.417 13.876 13.344 12.820 12.305 11.797 11.297 10.804 10.318 9.840 9.368 8.902 67.738 62.380 57.444 52.992 48.979 45.347 42.043 39.022 36.245 33.680 31.300 29.083 27.010 25.063 23.230 19.859 19.226 18.606 17.998 17.402 16.817 16.242 15.678 15.124 14.580 14.045 13.518 13.001 12.491 11.990 11.497 11.011 10.532 10.060 9.595 9.137 67.653 62.351 57.441 53.003 49.000 45.376 42.078 39.062 36.291 33.731 31.357 29.146 27.079 25.139 23.314 19.958 19.329 18.713 18.109 17.516 16.935 16.365 15.805 15.255 14.715 14.184 13.663 13.150 12.645 12.148 11.660 11.179 10.705 10.238 9.778 9.325 67.564 62.318 57.433 53.011 49.017 45.400 42.109 39.098 36.331 33.776 31.407 29.201 27.140 25.206 23.387 20.045 19.419 18.806 18.205 17.615 17.037 16.470 15.914 15.367 14.830 14.303 13.785 13.275 12.774 12.282 11.797 11.319 10.849 10.386 9.930 9.481 99999.999 62.282 57.423 53.014 49.031 45.421 42.135 39.130 36.368 33.817 31.453 29.251 27.195 25.266 23.452 20.122 19.499 18.888 18.289 17.702 17.127 16.562 16.008 15.465 14.931 14.406 13.891 13.384 12.886 12.396 11.914 11.440 10.973 10.513 10.060 9.613 U(Ac)2+ U(CH3COO)2+ P-T:All Charge = 1. Radius(Å) = 8.00 Alk. = 0.000 Ref: Shock07 6 0.625 1 0.375 6 1.000 30 -0.500 2 -0.375 4 2.000 35 8.376 8.158 7.559 6.765 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.376 8.158 7.559 6.765 5.859 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.375 8.158 7.559 6.765 5.859 4.881 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.375 8.158 7.559 6.765 5.859 4.881 3.855 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.374 8.157 7.558 6.765 5.859 4.881 3.855 2.793 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.372 8.156 7.558 6.765 5.859 4.882 3.856 2.795 1.703 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.369 8.155 7.557 6.765 5.860 4.883 3.858 2.797 1.706 0.584 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.365 8.152 7.556 6.765 5.860 4.884 3.860 2.801 1.712 0.591 -0.570 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.360 8.149 7.554 6.764 5.861 4.886 3.863 2.806 1.718 0.601 -0.555 -1.772 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.352 8.145 7.552 6.763 5.861 4.888 3.868 2.812 1.727 0.614 -0.536 -1.742 -3.038 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.342 8.139 7.549 6.762 5.862 4.891 3.873 2.820 1.739 0.630 -0.512 -1.706 -2.979 -4.400 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.328 8.132 7.545 6.761 5.863 4.894 3.879 2.829 1.753 0.651 -0.483 -1.661 -2.909 -4.279 -5.969 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.317 8.125 7.541 6.759 5.863 4.897 3.883 2.837 1.764 0.666 -0.461 -1.629 -2.858 -4.195 -5.796 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.301 8.116 7.536 6.757 5.864 4.900 3.889 2.846 1.778 0.686 -0.432 -1.585 -2.790 -4.085 -5.590 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.284 8.106 7.530 6.754 5.863 4.902 3.895 2.856 1.792 0.706 -0.404 -1.544 -2.728 -3.986 -5.414 -8.323 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.267 8.096 7.524 6.751 5.863 4.905 3.900 2.864 1.805 0.724 -0.378 -1.506 -2.671 -3.897 -5.261 -7.653 -8.448 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.249 8.086 7.517 6.747 5.862 4.907 3.905 2.873 1.817 0.742 -0.353 -1.470 -2.618 -3.816 -5.125 -7.424 -8.032 -8.748 -9.684 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.231 8.075 7.511 6.744 5.861 4.908 3.910 2.880 1.828 0.758 -0.329 -1.437 -2.569 -3.742 -5.004 -7.264 -7.815 -8.409 -9.080 -9.879 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.212 8.063 7.504 6.740 5.860 4.909 3.914 2.888 1.839 0.774 -0.307 -1.405 -2.524 -3.676 -4.896 -7.137 -7.656 -8.200 -8.782 -9.421 -10.144 -10.977 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.192 8.052 7.496 6.735 5.858 4.910 3.917 2.894 1.850 0.789 -0.286 -1.376 -2.483 -3.615 -4.800 -7.029 -7.527 -8.042 -8.581 -9.151 -9.764 -10.437 -11.181 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.173 8.040 7.489 6.731 5.856 4.911 3.921 2.901 1.860 0.803 -0.267 -1.349 -2.445 -3.560 -4.716 -6.934 -7.417 -7.913 -8.424 -8.955 -9.513 -10.105 -10.740 -11.423 -12.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.152 8.028 7.481 6.726 5.854 4.911 3.924 2.907 1.869 0.817 -0.248 -1.323 -2.409 -3.510 -4.641 -6.849 -7.321 -7.801 -8.293 -8.799 -9.324 -9.870 -10.443 -11.047 -11.684 -12.355 -13.053 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.132 8.015 7.472 6.721 5.852 4.911 3.926 2.912 1.878 0.829 -0.230 -1.299 -2.376 -3.465 -4.575 -6.773 -7.234 -7.703 -8.180 -8.668 -9.170 -9.686 -10.221 -10.776 -11.354 -11.956 -12.579 -13.220 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.110 8.002 7.464 6.716 5.849 4.911 3.929 2.917 1.886 0.842 -0.213 -1.276 -2.346 -3.424 -4.517 -6.702 -7.155 -7.614 -8.080 -8.555 -9.039 -9.534 -10.042 -10.565 -11.104 -11.659 -12.231 -12.817 -13.414 -14.017 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.089 7.989 7.455 6.710 5.846 4.911 3.931 2.922 1.894 0.853 -0.197 -1.255 -2.318 -3.387 -4.466 -6.637 -7.083 -7.534 -7.990 -8.453 -8.924 -9.403 -9.892 -10.392 -10.903 -11.427 -11.962 -12.508 -13.063 -13.624 -14.187 99999.999 99999.999 99999.999 99999.999 99999.999 8.067 7.975 7.446 6.704 5.843 4.910 3.933 2.927 1.902 0.864 -0.182 -1.234 -2.292 -3.353 -4.421 -6.576 -7.016 -7.460 -7.908 -8.362 -8.822 -9.288 -9.762 -10.244 -10.735 -11.235 -11.744 -12.261 -12.785 -13.314 -13.845 -14.376 -14.901 99999.999 99999.999 99999.999 8.045 7.961 7.437 6.698 5.839 4.909 3.934 2.931 1.909 0.875 -0.168 -1.215 -2.267 -3.322 -4.381 -6.519 -6.953 -7.391 -7.833 -8.278 -8.729 -9.185 -9.647 -10.115 -10.590 -11.073 -11.561 -12.056 -12.557 -13.061 -13.568 -14.074 -14.577 -15.074 99999.999 99999.999 8.022 7.947 7.427 6.692 5.836 4.908 3.935 2.935 1.916 0.885 -0.154 -1.197 -2.244 -3.293 -4.344 -6.465 -6.895 -7.327 -7.763 -8.201 -8.644 -9.091 -9.543 -10.000 -10.463 -10.931 -11.404 -11.882 -12.364 -12.849 -13.336 -13.822 -14.307 -14.787 -15.260 -15.725 7.999 7.933 7.418 6.685 5.832 4.906 3.936 2.938 1.922 0.895 -0.140 -1.180 -2.222 -3.265 -4.310 -6.415 -6.840 -7.267 -7.697 -8.130 -8.566 -9.005 -9.449 -9.897 -10.348 -10.805 -11.265 -11.729 -12.196 -12.666 -13.137 -13.608 -14.077 -14.543 -15.004 -15.457 7.748 7.776 7.309 6.610 5.782 4.880 3.933 2.959 1.968 0.969 -0.035 -1.040 -2.043 -3.044 -4.040 -6.022 -6.417 -6.812 -7.207 -7.602 -7.997 -8.392 -8.788 -9.184 -9.580 -9.977 -10.374 -10.771 -11.168 -11.565 -11.962 -12.359 -12.755 -13.150 -13.543 -13.935 7.468 7.597 7.182 6.517 5.717 4.837 3.911 2.958 1.989 1.013 0.034 -0.944 -1.918 -2.887 -3.850 -5.753 -6.131 -6.507 -6.883 -7.257 -7.631 -8.004 -8.376 -8.747 -9.118 -9.488 -9.857 -10.226 -10.594 -10.962 -11.328 -11.694 -12.060 -12.424 -12.787 -13.149 7.165 7.400 7.041 6.412 5.638 4.780 3.874 2.940 1.990 1.034 0.076 -0.879 -1.830 -2.774 -3.710 -5.556 -5.920 -6.284 -6.646 -7.007 -7.366 -7.724 -8.081 -8.437 -8.791 -9.145 -9.497 -9.848 -10.198 -10.547 -10.896 -11.243 -11.589 -11.934 -12.278 -12.621 6.842 7.190 6.888 6.295 5.548 4.713 3.826 2.909 1.978 1.039 0.100 -0.837 -1.768 -2.691 -3.606 -5.405 -5.760 -6.113 -6.465 -6.816 -7.164 -7.511 -7.857 -8.201 -8.544 -8.886 -9.226 -9.565 -9.902 -10.238 -10.573 -10.907 -11.240 -11.572 -11.902 -12.231 6.505 6.968 6.724 6.169 5.449 4.636 3.768 2.869 1.953 1.031 0.107 -0.812 -1.726 -2.631 -3.527 -5.288 -5.635 -5.981 -6.324 -6.666 -7.006 -7.345 -7.682 -8.017 -8.351 -8.683 -9.014 -9.343 -9.671 -9.998 -10.323 -10.647 -10.969 -11.291 -11.611 -11.929 6.155 6.736 6.552 6.035 5.343 4.551 3.702 2.819 1.919 1.011 0.103 -0.802 -1.700 -2.589 -3.470 -5.198 -5.538 -5.876 -6.213 -6.548 -6.881 -7.212 -7.542 -7.870 -8.197 -8.521 -8.845 -9.166 -9.487 -9.805 -10.123 -10.439 -10.753 -11.067 -11.378 -11.689 5.795 6.497 6.373 5.894 5.229 4.460 3.629 2.762 1.877 0.983 0.089 -0.802 -1.687 -2.562 -3.428 -5.127 -5.461 -5.794 -6.125 -6.454 -6.781 -7.106 -7.430 -7.752 -8.072 -8.391 -8.708 -9.023 -9.337 -9.649 -9.960 -10.270 -10.578 -10.885 -11.190 -11.494 99999.999 6.250 6.187 5.747 5.110 4.363 3.550 2.699 1.828 0.948 0.066 -0.812 -1.684 -2.547 -3.400 -5.073 -5.402 -5.730 -6.055 -6.379 -6.701 -7.021 -7.339 -7.656 -7.971 -8.284 -8.596 -8.906 -9.215 -9.522 -9.827 -10.131 -10.434 -10.735 -11.035 -11.334 U(Ac)2+ U(CH3COO)2+ P-T:All Charge = 1. Radius(Å) = 8.00 Alk. = 0.000 Ref: Shock07 5 1.000 1 -0.750 31 1.000 30 -0.500 2 2.000 35 65.413 60.027 54.974 50.308 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.413 60.027 54.974 50.308 46.002 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.413 60.028 54.974 50.308 46.002 42.012 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.414 60.028 54.975 50.309 46.004 42.014 38.295 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.414 60.029 54.976 50.311 46.005 42.016 38.297 34.809 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.416 60.031 54.979 50.314 46.008 42.019 38.301 34.814 31.519 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.418 60.034 54.982 50.317 46.012 42.024 38.306 34.820 31.527 28.388 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.420 60.039 54.987 50.323 46.019 42.030 38.314 34.829 31.537 28.402 25.379 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.424 60.044 54.994 50.330 46.027 42.040 38.325 34.841 31.552 28.420 25.403 22.450 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.429 60.052 55.003 50.340 46.038 42.052 38.339 34.858 31.572 28.444 25.435 22.496 19.557 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.434 60.061 55.014 50.353 46.052 42.068 38.357 34.879 31.597 28.475 25.476 22.553 19.645 16.631 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.441 60.073 55.028 50.369 46.070 42.088 38.380 34.905 31.628 28.514 25.526 22.623 19.749 16.810 13.482 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.447 60.082 55.039 50.381 46.083 42.103 38.397 34.925 31.652 28.543 25.564 22.674 19.825 16.934 13.757 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.453 60.095 55.054 50.399 46.103 42.124 38.421 34.953 31.685 28.584 25.615 22.744 19.926 17.094 14.063 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.459 60.106 55.069 50.415 46.121 42.145 38.445 34.981 31.717 28.623 25.665 22.810 20.020 17.237 14.316 7.680 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.465 60.118 55.083 50.432 46.139 42.166 38.468 35.007 31.749 28.660 25.712 22.873 20.107 17.366 14.534 9.154 7.490 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.470 60.129 55.097 50.447 46.157 42.186 38.490 35.033 31.779 28.697 25.757 22.931 20.188 17.484 14.726 9.619 8.360 6.900 5.078 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.474 60.139 55.111 50.463 46.174 42.205 38.512 35.058 31.808 28.732 25.801 22.987 20.263 17.592 14.897 9.913 8.783 7.572 6.227 4.677 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.478 60.149 55.123 50.478 46.191 42.224 38.534 35.083 31.837 28.766 25.842 23.040 20.334 17.691 15.049 10.137 9.072 7.965 6.795 5.530 4.135 2.584 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.481 60.159 55.136 50.492 46.208 42.242 38.555 35.107 31.865 28.799 25.882 23.091 20.400 17.781 15.185 10.321 9.297 8.249 7.165 6.032 4.829 3.538 2.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.483 60.168 55.148 50.507 46.224 42.260 38.575 35.130 31.892 28.831 25.921 23.139 20.462 17.865 15.307 10.478 9.483 8.473 7.443 6.383 5.283 4.132 2.920 1.641 0.301 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.485 60.176 55.160 50.520 46.239 42.278 38.595 35.153 31.918 28.862 25.958 23.184 20.520 17.941 15.416 10.617 9.643 8.662 7.667 6.654 5.618 4.549 3.443 2.294 1.101 -0.133 -1.398 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.487 60.184 55.171 50.534 46.255 42.295 38.614 35.175 31.944 28.892 25.994 23.228 20.574 18.012 15.513 10.742 9.786 8.825 7.857 6.878 5.883 4.869 3.831 2.765 1.669 0.543 -0.608 -1.778 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.488 60.192 55.182 50.547 46.270 42.312 38.633 35.197 31.969 28.921 26.028 23.269 20.625 18.077 15.601 10.856 9.913 8.970 8.022 7.068 6.105 5.129 4.138 3.129 2.099 1.049 -0.020 -1.105 -2.199 -3.295 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.489 60.200 55.193 50.560 46.284 42.328 38.652 35.218 31.993 28.949 26.062 23.309 20.674 18.137 15.679 10.961 10.030 9.100 8.169 7.235 6.296 5.349 4.392 3.423 2.441 1.445 0.436 -0.585 -1.614 -2.646 -3.675 99999.999 99999.999 99999.999 99999.999 99999.999 65.489 60.207 55.203 50.572 46.298 42.344 38.670 35.238 32.017 28.977 26.094 23.348 20.720 18.193 15.750 11.059 10.138 9.219 8.302 7.384 6.464 5.539 4.608 3.671 2.724 1.768 0.804 -0.169 -1.148 -2.129 -3.108 -4.082 -5.044 99999.999 99999.999 99999.999 65.488 60.213 55.213 50.584 46.312 42.360 38.688 35.259 32.040 29.004 26.125 23.385 20.764 18.246 15.814 11.150 10.238 9.329 8.424 7.519 6.614 5.708 4.798 3.884 2.965 2.041 1.110 0.175 -0.765 -1.706 -2.645 -3.580 -4.506 -5.420 99999.999 99999.999 65.488 60.220 55.223 50.596 46.326 42.375 38.705 35.278 32.063 29.030 26.156 23.420 20.805 18.295 15.874 11.235 10.331 9.431 8.536 7.643 6.751 5.859 4.967 4.073 3.176 2.275 1.372 0.466 -0.442 -1.351 -2.258 -3.161 -4.056 -4.942 -5.814 -6.670 65.486 60.226 55.232 50.607 46.339 42.390 38.722 35.298 32.085 29.055 26.185 23.455 20.846 18.343 15.930 11.316 10.419 9.527 8.640 7.757 6.876 5.998 5.119 4.241 3.362 2.482 1.601 0.718 -0.165 -1.047 -1.928 -2.804 -3.674 -4.535 -5.385 -6.221 65.452 60.267 55.309 50.707 46.456 42.524 38.874 35.470 32.282 29.281 26.445 23.754 21.191 18.742 16.394 11.951 11.098 10.254 9.420 8.594 7.777 6.967 6.165 5.370 4.581 3.798 3.021 2.249 1.484 0.723 -0.032 -0.781 -1.525 -2.262 -2.994 -3.718 65.384 60.282 55.362 50.783 46.550 42.633 38.999 35.612 32.443 29.465 26.654 23.993 21.463 19.051 16.744 12.403 11.573 10.755 9.947 9.150 8.363 7.585 6.816 6.056 5.304 4.560 3.824 3.095 2.373 1.658 0.950 0.248 -0.447 -1.136 -1.819 -2.496 65.288 60.274 55.395 50.840 46.624 42.723 39.102 35.731 32.578 29.618 26.828 24.189 21.685 19.300 17.024 12.754 11.940 11.138 10.348 9.569 8.801 8.042 7.294 6.555 5.825 5.104 4.391 3.687 2.990 2.301 1.619 0.944 0.276 -0.386 -1.041 -1.689 65.171 60.248 55.411 50.881 46.683 42.796 39.189 35.831 32.692 29.747 26.974 24.354 21.870 19.508 17.256 13.040 12.238 11.448 10.670 9.904 9.149 8.405 7.671 6.946 6.231 5.526 4.829 4.141 3.461 2.788 2.124 1.467 0.817 0.174 -0.462 -1.092 65.036 60.208 55.413 50.909 46.730 42.857 39.263 35.916 32.790 29.858 27.100 24.496 22.029 19.685 17.453 13.279 12.486 11.706 10.938 10.182 9.437 8.703 7.979 7.266 6.563 5.868 5.183 4.507 3.839 3.179 2.527 1.883 1.246 0.616 -0.006 -0.623 64.887 60.155 55.404 50.926 46.765 42.907 39.325 35.990 32.875 29.955 27.209 24.618 22.165 19.837 17.621 13.483 12.698 11.925 11.165 10.417 9.680 8.955 8.240 7.535 6.840 6.155 5.479 4.812 4.153 3.503 2.861 2.226 1.599 0.979 0.366 -0.239 64.726 60.091 55.386 50.934 46.791 42.947 39.377 36.053 32.948 30.039 27.304 24.725 22.285 19.970 17.768 13.660 12.881 12.115 11.361 10.619 9.889 9.171 8.462 7.765 7.077 6.399 5.730 5.070 4.419 3.777 3.142 2.515 1.896 1.284 0.679 0.081 99999.999 60.020 55.358 50.933 46.808 42.979 39.420 36.107 33.012 30.112 27.387 24.819 22.390 20.086 17.897 13.815 13.041 12.280 11.532 10.796 10.071 9.358 8.656 7.964 7.282 6.610 5.947 5.294 4.649 4.012 3.384 2.763 2.150 1.544 0.946 0.354 U(Ac)3,aq U(CH3COO)3 P-T:All Charge = 0. Radius(Å) = 8.00 Alk. = 0.000 Ref: Shock07 6 0.625 1 0.375 6 1.000 30 -0.500 2 -0.375 4 3.000 35 6.401 6.590 6.069 5.168 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.401 6.590 6.069 5.168 4.031 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.401 6.590 6.070 5.168 4.032 2.739 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.401 6.590 6.070 5.169 4.033 2.740 1.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.401 6.591 6.071 5.170 4.034 2.742 1.336 -0.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.401 6.592 6.073 5.172 4.037 2.744 1.340 -0.151 -1.715 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.401 6.594 6.075 5.175 4.040 2.749 1.345 -0.145 -1.707 -3.341 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.401 6.596 6.078 5.179 4.045 2.755 1.353 -0.135 -1.695 -3.326 -5.042 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.401 6.598 6.083 5.185 4.052 2.763 1.363 -0.123 -1.680 -3.306 -5.014 -6.835 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.401 6.602 6.089 5.192 4.061 2.774 1.376 -0.106 -1.659 -3.279 -4.977 -6.782 -8.750 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.400 6.606 6.096 5.201 4.073 2.788 1.393 -0.085 -1.633 -3.245 -4.931 -6.716 -8.646 -10.839 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.399 6.611 6.104 5.213 4.087 2.805 1.414 -0.059 -1.600 -3.203 -4.874 -6.634 -8.523 -10.629 -13.296 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.397 6.615 6.111 5.222 4.098 2.819 1.430 -0.039 -1.575 -3.171 -4.832 -6.575 -8.433 -10.483 -12.991 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.393 6.619 6.119 5.233 4.112 2.837 1.453 -0.012 -1.541 -3.127 -4.774 -6.494 -8.313 -10.293 -12.635 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.388 6.623 6.127 5.244 4.127 2.854 1.474 0.015 -1.507 -3.085 -4.719 -6.417 -8.202 -10.122 -12.335 -17.281 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.382 6.625 6.134 5.255 4.140 2.871 1.495 0.041 -1.476 -3.045 -4.666 -6.346 -8.100 -9.967 -12.073 -15.915 -17.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.376 6.627 6.141 5.265 4.153 2.887 1.515 0.065 -1.445 -3.006 -4.616 -6.278 -8.005 -9.826 -11.841 -15.469 -16.475 -17.690 -19.312 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.368 6.628 6.147 5.274 4.165 2.903 1.535 0.089 -1.416 -2.969 -4.569 -6.215 -7.917 -9.697 -11.634 -15.171 -16.059 -17.036 -18.158 -19.516 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.360 6.629 6.152 5.283 4.177 2.918 1.553 0.112 -1.387 -2.934 -4.523 -6.155 -7.835 -9.580 -11.450 -14.937 -15.764 -16.642 -17.593 -18.652 -19.865 -21.273 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.350 6.629 6.157 5.291 4.188 2.932 1.571 0.134 -1.360 -2.900 -4.480 -6.098 -7.758 -9.473 -11.286 -14.741 -15.529 -16.350 -17.217 -18.144 -19.154 -20.272 -21.516 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.340 6.628 6.161 5.298 4.199 2.946 1.588 0.156 -1.333 -2.867 -4.438 -6.045 -7.687 -9.375 -11.139 -14.570 -15.330 -16.113 -16.928 -17.783 -18.688 -19.657 -20.704 -21.838 -23.059 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.329 6.627 6.164 5.305 4.209 2.959 1.605 0.176 -1.308 -2.835 -4.399 -5.994 -7.621 -9.285 -11.009 -14.418 -15.155 -15.912 -16.691 -17.498 -18.340 -19.224 -20.158 -21.149 -22.201 -23.311 -24.471 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.317 6.625 6.167 5.312 4.219 2.972 1.621 0.196 -1.283 -2.804 -4.360 -5.946 -7.559 -9.204 -10.893 -14.280 -15.000 -15.734 -16.487 -17.261 -18.059 -18.888 -19.751 -20.653 -21.597 -22.585 -23.612 -24.671 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.304 6.622 6.170 5.318 4.228 2.984 1.636 0.216 -1.259 -2.775 -4.324 -5.900 -7.502 -9.129 -10.791 -14.153 -14.858 -15.576 -16.307 -17.055 -17.823 -18.612 -19.426 -20.269 -21.142 -22.046 -22.980 -23.941 -24.923 -25.916 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.291 6.619 6.172 5.324 4.236 2.996 1.651 0.234 -1.236 -2.746 -4.289 -5.857 -7.447 -9.060 -10.700 -14.036 -14.729 -15.432 -16.146 -16.874 -17.617 -18.376 -19.155 -19.955 -20.778 -21.624 -22.492 -23.382 -24.289 -25.208 -26.131 99999.999 99999.999 99999.999 99999.999 99999.999 6.277 6.615 6.174 5.329 4.245 3.007 1.666 0.252 -1.214 -2.719 -4.255 -5.816 -7.396 -8.996 -10.618 -13.927 -14.609 -15.299 -15.999 -16.710 -17.433 -18.170 -18.922 -19.690 -20.475 -21.278 -22.099 -22.935 -23.786 -24.648 -25.515 -26.382 -27.244 99999.999 99999.999 99999.999 6.262 6.611 6.175 5.334 4.252 3.017 1.679 0.270 -1.192 -2.692 -4.223 -5.776 -7.348 -8.937 -10.544 -13.825 -14.497 -15.177 -15.864 -16.561 -17.268 -17.986 -18.716 -19.458 -20.215 -20.985 -21.769 -22.566 -23.374 -24.191 -25.013 -25.837 -26.657 -27.469 99999.999 99999.999 6.247 6.606 6.175 5.338 4.260 3.028 1.693 0.287 -1.171 -2.667 -4.191 -5.738 -7.302 -8.882 -10.477 -13.728 -14.392 -15.062 -15.739 -16.424 -17.117 -17.819 -18.531 -19.253 -19.986 -20.731 -21.486 -22.252 -23.027 -23.809 -24.595 -25.383 -26.169 -26.950 -27.721 -28.479 6.230 6.601 6.175 5.342 4.267 3.037 1.706 0.303 -1.151 -2.642 -4.161 -5.701 -7.258 -8.829 -10.414 -13.637 -14.293 -14.955 -15.622 -16.296 -16.977 -17.666 -18.362 -19.068 -19.782 -20.506 -21.238 -21.979 -22.727 -23.480 -24.238 -24.997 -25.755 -26.509 -27.256 -27.992 6.034 6.522 6.155 5.359 4.315 3.114 1.810 0.439 -0.980 -2.431 -3.904 -5.392 -6.890 -8.393 -9.900 -12.921 -13.528 -14.135 -14.743 -15.352 -15.963 -16.575 -17.189 -17.804 -18.421 -19.040 -19.660 -20.281 -20.904 -21.528 -22.152 -22.777 -23.401 -24.024 -24.647 -25.267 5.784 6.402 6.099 5.345 4.331 3.157 1.880 0.535 -0.854 -2.273 -3.710 -5.159 -6.613 -8.068 -9.522 -12.419 -12.996 -13.573 -14.150 -14.725 -15.301 -15.876 -16.450 -17.025 -17.599 -18.173 -18.747 -19.320 -19.893 -20.466 -21.038 -21.610 -22.181 -22.751 -23.321 -23.889 5.492 6.251 6.016 5.304 4.322 3.175 1.922 0.601 -0.763 -2.154 -3.562 -4.978 -6.398 -7.816 -9.230 -12.037 -12.594 -13.150 -13.705 -14.259 -14.811 -15.363 -15.913 -16.462 -17.009 -17.556 -18.102 -18.646 -19.190 -19.732 -20.274 -20.814 -21.354 -21.892 -22.429 -22.965 5.167 6.072 5.909 5.242 4.293 3.172 1.942 0.644 -0.697 -2.065 -3.447 -4.837 -6.228 -7.615 -8.997 -11.734 -12.276 -12.817 -13.356 -13.893 -14.429 -14.963 -15.495 -16.026 -16.555 -17.082 -17.608 -18.133 -18.656 -19.178 -19.698 -20.217 -20.734 -21.251 -21.765 -22.279 4.815 5.872 5.784 5.163 4.246 3.151 1.945 0.668 -0.653 -1.999 -3.360 -4.726 -6.092 -7.454 -8.809 -11.488 -12.018 -12.546 -13.073 -13.597 -14.120 -14.640 -15.159 -15.676 -16.191 -16.704 -17.215 -17.725 -18.232 -18.739 -19.243 -19.746 -20.247 -20.747 -21.245 -21.742 4.440 5.655 5.642 5.068 4.185 3.116 1.932 0.676 -0.625 -1.953 -3.294 -4.640 -5.984 -7.324 -8.655 -11.285 -11.806 -12.324 -12.840 -13.353 -13.865 -14.375 -14.883 -15.388 -15.892 -16.393 -16.893 -17.391 -17.887 -18.381 -18.873 -19.363 -19.852 -20.339 -20.825 -21.308 4.046 5.422 5.486 4.960 4.111 3.069 1.907 0.670 -0.612 -1.922 -3.245 -4.572 -5.898 -7.218 -8.529 -11.117 -11.629 -12.138 -12.645 -13.150 -13.653 -14.154 -14.652 -15.148 -15.642 -16.135 -16.625 -17.113 -17.599 -18.083 -18.565 -19.046 -19.525 -20.001 -20.477 -20.950 99999.999 5.176 5.319 4.840 4.026 3.011 1.871 0.654 -0.612 -1.904 -3.211 -4.522 -5.830 -7.133 -8.426 -10.977 -11.481 -11.983 -12.482 -12.979 -13.474 -13.967 -14.458 -14.946 -15.432 -15.917 -16.399 -16.879 -17.357 -17.833 -18.307 -18.779 -19.249 -19.718 -20.185 -20.650 U(Ac)3,aq U(CH3COO)3 P-T:All Charge = 0. Radius(Å) = 8.00 Alk. = 0.000 Ref: Shock07 5 1.000 1 -0.750 31 1.000 30 -0.500 2 3.000 35 63.438 58.458 53.484 48.710 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.438 58.458 53.484 48.710 44.175 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.438 58.459 53.485 48.711 44.176 39.870 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.439 58.461 53.487 48.713 44.178 39.872 35.775 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.441 58.463 53.489 48.716 44.181 39.876 35.778 31.861 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.445 58.467 53.494 48.721 44.186 39.881 35.784 31.868 28.101 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.450 58.473 53.500 48.728 44.193 39.889 35.793 31.878 28.113 24.463 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.456 58.482 53.510 48.738 44.204 39.901 35.806 31.893 28.131 24.484 20.907 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.466 58.493 53.522 48.751 44.218 39.917 35.824 31.913 28.154 24.513 20.945 17.387 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.478 58.509 53.539 48.769 44.238 39.938 35.847 31.939 28.185 24.551 20.994 17.456 13.845 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.493 58.528 53.561 48.792 44.262 39.965 35.877 31.974 28.225 24.600 21.057 17.543 13.977 10.192 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.512 58.553 53.588 48.822 44.294 39.999 35.915 32.017 28.275 24.661 21.135 17.650 14.136 10.460 6.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.526 58.572 53.609 48.844 44.318 40.025 35.944 32.049 28.314 24.707 21.193 17.728 14.250 10.645 6.562 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.545 58.598 53.638 48.875 44.352 40.062 35.985 32.095 28.367 24.770 21.273 17.836 14.404 10.885 7.018 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.563 58.623 53.666 48.906 44.384 40.097 36.024 32.140 28.418 24.832 21.350 17.937 14.546 11.101 7.395 -1.278 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.580 58.647 53.694 48.936 44.417 40.132 36.063 32.184 28.469 24.891 21.423 18.032 14.678 11.296 7.722 0.892 -1.361 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.596 58.670 53.720 48.965 44.448 40.166 36.101 32.226 28.517 24.949 21.494 18.123 14.801 11.474 8.010 1.573 -0.083 -2.043 -4.550 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.611 58.693 53.746 48.993 44.479 40.200 36.137 32.267 28.564 25.004 21.561 18.209 14.916 11.637 8.266 2.006 0.538 -1.055 -2.851 -4.960 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.625 58.715 53.772 49.021 44.509 40.232 36.173 32.307 28.610 25.058 21.626 18.291 15.024 11.787 8.495 2.336 0.963 -0.477 -2.016 -3.701 -5.586 -7.711 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.639 58.736 53.796 49.048 44.538 40.264 36.208 32.347 28.655 25.110 21.689 18.368 15.124 11.924 8.700 2.608 1.295 -0.059 -1.471 -2.962 -4.561 -6.297 -8.188 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.651 58.756 53.820 49.074 44.566 40.295 36.243 32.385 28.699 25.161 21.749 18.442 15.219 12.050 8.883 2.842 1.570 0.272 -1.062 -2.445 -3.892 -5.420 -7.045 -8.774 -10.603 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.662 58.775 53.844 49.100 44.594 40.326 36.276 32.423 28.741 25.210 21.807 18.513 15.307 12.166 9.047 3.049 1.809 0.551 -0.731 -2.044 -3.399 -4.804 -6.272 -7.808 -9.416 -11.090 -12.816 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.673 58.794 53.866 49.125 44.622 40.356 36.309 32.459 28.783 25.258 21.863 18.581 15.391 12.273 9.195 3.235 2.020 0.793 -0.450 -1.714 -3.006 -4.332 -5.699 -7.112 -8.574 -10.086 -11.641 -13.228 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.682 58.812 53.888 49.150 44.648 40.385 36.341 32.495 28.823 25.304 21.917 18.645 15.470 12.372 9.327 3.405 2.210 1.008 -0.205 -1.433 -2.679 -3.949 -5.246 -6.575 -7.939 -9.338 -10.770 -12.229 -13.708 -15.194 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.691 58.830 53.910 49.173 44.675 40.413 36.372 32.530 28.863 25.349 21.970 18.707 15.544 12.464 9.445 3.562 2.384 1.202 0.013 -1.185 -2.397 -3.625 -4.871 -6.140 -7.434 -8.752 -10.095 -11.459 -12.840 -14.229 -15.619 99999.999 99999.999 99999.999 99999.999 99999.999 63.699 58.847 53.930 49.197 44.700 40.441 36.403 32.564 28.901 25.393 22.021 18.767 15.615 12.550 9.553 3.708 2.545 1.380 0.211 -0.964 -2.148 -3.343 -4.551 -5.775 -7.016 -8.274 -9.551 -10.843 -12.149 -13.462 -14.778 -16.088 -17.386 99999.999 99999.999 99999.999 63.706 58.863 53.951 49.220 44.725 40.468 36.433 32.598 28.939 25.436 22.070 18.824 15.682 12.630 9.651 3.844 2.694 1.544 0.392 -0.764 -1.925 -3.093 -4.270 -5.459 -6.659 -7.872 -9.098 -10.335 -11.582 -12.835 -14.091 -15.343 -16.586 -17.815 99999.999 99999.999 63.712 58.879 53.970 49.242 44.750 40.495 36.463 32.630 28.976 25.478 22.118 18.880 15.747 12.706 9.741 3.973 2.834 1.696 0.559 -0.580 -1.722 -2.868 -4.020 -5.180 -6.348 -7.525 -8.710 -9.904 -11.105 -12.310 -13.517 -14.721 -15.919 -17.105 -18.275 -19.424 63.718 58.894 53.990 49.264 44.774 40.522 36.492 32.662 29.012 25.519 22.165 18.933 15.809 12.778 9.826 4.094 2.965 1.839 0.715 -0.410 -1.535 -2.663 -3.794 -4.930 -6.072 -7.219 -8.372 -9.531 -10.695 -11.861 -13.028 -14.193 -15.352 -16.502 -17.638 -18.757 63.738 59.014 54.155 49.457 44.988 40.757 36.751 32.950 29.334 25.882 22.576 19.402 16.345 13.393 10.534 5.052 3.987 2.931 1.884 0.844 -0.189 -1.215 -2.236 -3.251 -4.260 -5.265 -6.265 -7.261 -8.252 -9.239 -10.221 -11.199 -12.171 -13.137 -14.097 -15.050 63.700 59.088 54.279 49.610 45.164 40.953 36.967 33.189 29.600 26.179 22.911 19.778 16.769 13.870 11.072 5.737 4.707 3.689 2.680 1.682 0.693 -0.287 -1.259 -2.222 -3.177 -4.125 -5.065 -5.999 -6.926 -7.846 -8.760 -9.667 -10.569 -11.464 -12.352 -13.235 63.616 59.124 54.369 49.732 45.309 41.117 37.150 33.392 29.825 26.429 23.190 20.090 17.117 14.258 11.505 6.273 5.267 4.272 3.289 2.317 1.355 0.404 -0.538 -1.470 -2.393 -3.307 -4.213 -5.111 -6.002 -6.884 -7.760 -8.628 -9.489 -10.344 -11.192 -12.033 63.495 59.131 54.432 49.828 45.428 41.256 37.306 33.566 30.017 26.643 23.427 20.354 17.410 14.584 11.865 6.711 5.722 4.745 3.780 2.827 1.885 0.953 0.033 -0.878 -1.779 -2.671 -3.554 -4.428 -5.293 -6.151 -7.001 -7.843 -8.678 -9.505 -10.326 -11.140 63.346 59.112 54.473 49.903 45.527 41.373 37.440 33.716 30.184 26.829 23.633 20.582 17.662 14.862 12.171 7.080 6.104 5.140 4.190 3.251 2.324 1.408 0.502 -0.392 -1.277 -2.152 -3.018 -3.874 -4.722 -5.562 -6.393 -7.216 -8.032 -8.840 -9.641 -10.435 63.172 59.073 54.494 49.959 45.607 41.472 37.555 33.847 30.330 26.991 23.812 20.780 17.881 15.103 12.435 7.395 6.430 5.478 4.539 3.611 2.696 1.792 0.899 0.017 -0.855 -1.717 -2.569 -3.413 -4.247 -5.072 -5.889 -6.699 -7.500 -8.293 -9.080 -9.859 62.977 59.016 54.499 50.000 45.672 41.556 37.655 33.961 30.459 27.134 23.970 20.954 18.073 15.314 12.667 7.670 6.714 5.771 4.841 3.923 3.017 2.123 1.240 0.368 -0.493 -1.345 -2.187 -3.019 -3.843 -4.657 -5.463 -6.261 -7.051 -7.833 -8.608 -9.375 99999.999 58.946 54.490 50.027 45.724 41.627 37.741 34.061 30.572 27.260 24.111 21.109 18.243 15.500 12.870 7.911 6.962 6.027 5.105 4.196 3.298 2.412 1.538 0.674 -0.179 -1.022 -1.855 -2.679 -3.493 -4.299 -5.096 -5.885 -6.665 -7.438 -8.204 -8.962 UO2(Ac)+ UO2CH3COO+ P-T:All Charge = 1. Radius(Å) = 8.00 Alk. = 0.000 Ref: Shock07 2 1.000 30 1.000 35 -3.404 -3.042 -2.895 -2.875 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.404 -3.042 -2.895 -2.875 -2.941 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.404 -3.042 -2.895 -2.875 -2.941 -3.072 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.403 -3.041 -2.894 -2.874 -2.940 -3.071 -3.253 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.403 -3.041 -2.893 -2.873 -2.939 -3.070 -3.252 -3.477 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.402 -3.039 -2.892 -2.871 -2.938 -3.068 -3.250 -3.475 -3.739 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.401 -3.038 -2.890 -2.869 -2.935 -3.065 -3.247 -3.471 -3.735 -4.038 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.400 -3.035 -2.887 -2.866 -2.931 -3.061 -3.242 -3.466 -3.729 -4.031 -4.378 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.398 -3.032 -2.882 -2.861 -2.926 -3.056 -3.236 -3.459 -3.720 -4.020 -4.365 -4.766 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.396 -3.027 -2.877 -2.855 -2.920 -3.048 -3.227 -3.449 -3.709 -4.007 -4.347 -4.741 -5.210 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.394 -3.022 -2.870 -2.847 -2.911 -3.039 -3.217 -3.437 -3.694 -3.989 -4.324 -4.710 -5.165 -5.725 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.390 -3.015 -2.862 -2.837 -2.900 -3.027 -3.203 -3.421 -3.676 -3.967 -4.296 -4.672 -5.109 -5.640 -6.366 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.388 -3.010 -2.855 -2.830 -2.892 -3.017 -3.193 -3.410 -3.663 -3.951 -4.275 -4.644 -5.069 -5.578 -6.266 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.386 -3.003 -2.846 -2.820 -2.880 -3.005 -3.178 -3.393 -3.644 -3.928 -4.246 -4.605 -5.014 -5.496 -6.130 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.384 -2.996 -2.837 -2.810 -2.869 -2.992 -3.165 -3.377 -3.625 -3.905 -4.219 -4.569 -4.964 -5.421 -6.007 -6.569 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.382 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Radius(Å) = 8.00 Alk. = 0.000 Ref: Shock07 2 1.000 30 2.000 35 -6.421 -5.586 -5.239 -5.181 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.421 -5.586 -5.239 -5.181 -5.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.420 -5.585 -5.239 -5.181 -5.317 -5.597 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-16.225 -16.588 -16.950 -17.312 -17.674 -18.035 -18.396 -18.757 -19.117 -19.476 -19.836 -20.195 -20.553 -20.911 99999.999 -6.244 -5.098 -4.686 -4.697 -4.978 -5.444 -6.036 -6.720 -7.469 -8.264 -9.094 -9.947 -10.817 -11.699 -13.482 -13.840 -14.198 -14.556 -14.914 -15.273 -15.630 -15.988 -16.345 -16.702 -17.059 -17.415 -17.771 -18.126 -18.481 -18.836 -19.190 -19.543 -19.896 -20.249 -20.601 Zn(Ac)+ ZnCH3COO+ P-T:All Charge = 1. Radius(Å) = 2.50 Alk. = 0.000 Ref: Shock07 2 1.000 15 1.000 35 -1.540 -1.605 -1.788 -2.025 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.540 -1.605 -1.788 -2.025 -2.294 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.540 -1.605 -1.788 -2.025 -2.294 -2.585 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.539 -1.605 -1.787 -2.025 -2.294 -2.584 -2.893 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.539 -1.604 -1.787 -2.024 -2.293 -2.584 -2.892 -3.218 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.538 -1.604 -1.786 -2.023 -2.292 -2.582 -2.891 -3.216 -3.560 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.537 -1.603 -1.785 -2.022 -2.291 -2.581 -2.889 -3.213 -3.556 -3.922 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.535 -1.601 -1.783 -2.020 -2.288 -2.578 -2.886 -3.210 -3.551 -3.916 -4.313 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.533 -1.599 -1.781 -2.018 -2.286 -2.575 -2.881 -3.204 -3.545 -3.907 -4.300 -4.741 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.531 -1.597 -1.779 -2.015 -2.282 -2.570 -2.876 -3.197 -3.536 -3.895 -4.284 -4.718 -5.216 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.527 -1.594 -1.775 -2.011 -2.277 -2.565 -2.869 -3.188 -3.524 -3.880 -4.264 -4.688 -5.172 -5.751 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.523 -1.590 -1.771 -2.006 -2.271 -2.557 -2.860 -3.177 -3.510 -3.862 -4.239 -4.652 -5.118 -5.669 -6.388 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.520 -1.587 -1.768 -2.002 -2.267 -2.552 -2.853 -3.169 -3.500 -3.848 -4.220 -4.626 -5.079 -5.608 -6.305 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.516 -1.583 -1.763 -1.997 -2.261 -2.544 -2.844 -3.157 -3.485 -3.829 -4.195 -4.589 -5.026 -5.527 -6.177 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.513 -1.579 -1.759 -1.992 -2.255 -2.537 -2.835 -3.146 -3.470 -3.811 -4.170 -4.555 -4.976 -5.452 -6.055 -6.017 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.510 -1.576 -1.755 -1.987 -2.249 -2.530 -2.826 -3.135 -3.457 -3.793 -4.147 -4.523 -4.930 -5.383 -5.942 -6.296 -6.332 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.507 -1.572 -1.751 -1.983 -2.244 -2.524 -2.818 -3.124 -3.444 -3.776 -4.125 -4.493 -4.887 -5.319 -5.839 -6.320 -6.434 -6.532 -6.683 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.504 -1.569 -1.748 -1.979 -2.239 -2.517 -2.810 -3.114 -3.431 -3.760 -4.104 -4.464 -4.847 -5.261 -5.745 -6.296 -6.434 -6.563 -6.692 -6.853 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.502 -1.567 -1.745 -1.975 -2.234 -2.511 -2.802 -3.105 -3.419 -3.745 -4.084 -4.438 -4.810 -5.208 -5.661 -6.258 -6.404 -6.546 -6.687 -6.831 -7.000 -7.223 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.500 -1.564 -1.741 -1.971 -2.229 -2.505 -2.794 -3.095 -3.407 -3.730 -4.064 -4.412 -4.775 -5.159 -5.585 -6.215 -6.364 -6.511 -6.658 -6.805 -6.959 -7.131 -7.336 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.498 -1.562 -1.739 -1.967 -2.224 -2.499 -2.787 -3.086 -3.395 -3.715 -4.046 -4.388 -4.743 -5.115 -5.518 -6.172 -6.321 -6.469 -6.618 -6.767 -6.919 -7.078 -7.250 -7.444 -7.668 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.497 -1.560 -1.736 -1.964 -2.220 -2.494 -2.780 -3.077 -3.384 -3.701 -4.029 -4.366 -4.714 -5.075 -5.459 -6.129 -6.277 -6.425 -6.574 -6.723 -6.875 -7.029 -7.189 -7.360 -7.545 -7.749 -7.972 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.496 -1.558 -1.733 -1.960 -2.216 -2.488 -2.773 -3.069 -3.374 -3.688 -4.012 -4.345 -4.686 -5.038 -5.407 -6.088 -6.234 -6.380 -6.528 -6.677 -6.827 -6.979 -7.135 -7.295 -7.463 -7.641 -7.829 -8.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.495 -1.556 -1.731 -1.957 -2.212 -2.483 -2.767 -3.061 -3.363 -3.675 -3.996 -4.324 -4.661 -5.005 -5.362 -6.047 -6.191 -6.337 -6.483 -6.630 -6.779 -6.929 -7.082 -7.237 -7.396 -7.560 -7.730 -7.907 -8.090 -8.277 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.494 -1.555 -1.729 -1.954 -2.208 -2.478 -2.761 -3.053 -3.353 -3.663 -3.980 -4.305 -4.637 -4.975 -5.322 -6.008 -6.151 -6.294 -6.439 -6.584 -6.731 -6.880 -7.029 -7.181 -7.335 -7.492 -7.652 -7.815 -7.982 -8.151 -8.321 99999.999 99999.999 99999.999 99999.999 99999.999 -1.494 -1.554 -1.727 -1.951 -2.204 -2.473 -2.754 -3.045 -3.344 -3.651 -3.966 -4.287 -4.615 -4.948 -5.287 -5.971 -6.111 -6.253 -6.395 -6.539 -6.684 -6.830 -6.978 -7.127 -7.277 -7.430 -7.584 -7.739 -7.896 -8.055 -8.212 -8.369 -8.522 99999.999 99999.999 99999.999 -1.494 -1.553 -1.725 -1.949 -2.200 -2.469 -2.749 -3.037 -3.334 -3.639 -3.951 -4.270 -4.594 -4.923 -5.256 -5.934 -6.073 -6.213 -6.353 -6.495 -6.638 -6.783 -6.928 -7.075 -7.222 -7.371 -7.521 -7.672 -7.823 -7.974 -8.124 -8.273 -8.419 -8.559 99999.999 99999.999 -1.494 -1.552 -1.723 -1.946 -2.197 -2.464 -2.743 -3.030 -3.325 -3.628 -3.938 -4.253 -4.574 -4.899 -5.228 -5.899 -6.036 -6.174 -6.313 -6.453 -6.594 -6.736 -6.879 -7.024 -7.169 -7.315 -7.462 -7.609 -7.756 -7.903 -8.049 -8.192 -8.333 -8.470 -8.601 -8.725 -1.495 -1.551 -1.722 -1.944 -2.194 -2.460 -2.737 -3.023 -3.317 -3.617 -3.924 -4.237 -4.555 -4.877 -5.202 -5.866 -6.001 -6.137 -6.274 -6.412 -6.551 -6.691 -6.832 -6.974 -7.117 -7.261 -7.405 -7.550 -7.694 -7.838 -7.980 -8.120 -8.258 -8.392 -8.522 -8.645 -1.511 -1.553 -1.715 -1.928 -2.169 -2.426 -2.692 -2.965 -3.242 -3.525 -3.811 -4.101 -4.394 -4.689 -4.985 -5.583 -5.703 -5.824 -5.946 -6.068 -6.190 -6.314 -6.437 -6.562 -6.687 -6.812 -6.938 -7.065 -7.191 -7.318 -7.444 -7.571 -7.697 -7.822 -7.946 -8.069 -1.545 -1.569 -1.719 -1.924 -2.157 -2.404 -2.661 -2.922 -3.187 -3.455 -3.725 -3.998 -4.271 -4.545 -4.820 -5.370 -5.480 -5.591 -5.701 -5.812 -5.923 -6.034 -6.146 -6.258 -6.370 -6.482 -6.595 -6.709 -6.822 -6.936 -7.050 -7.165 -7.279 -7.394 -7.509 -7.623 -1.594 -1.597 -1.734 -1.929 -2.153 -2.392 -2.640 -2.892 -3.147 -3.402 -3.659 -3.917 -4.175 -4.433 -4.690 -5.203 -5.306 -5.408 -5.510 -5.612 -5.715 -5.817 -5.920 -6.022 -6.125 -6.228 -6.331 -6.435 -6.538 -6.642 -6.746 -6.850 -6.955 -7.060 -7.165 -7.270 -1.655 -1.633 -1.757 -1.942 -2.157 -2.388 -2.628 -2.871 -3.116 -3.362 -3.608 -3.854 -4.098 -4.343 -4.586 -5.069 -5.165 -5.260 -5.356 -5.452 -5.547 -5.643 -5.738 -5.834 -5.929 -6.025 -6.120 -6.216 -6.312 -6.408 -6.504 -6.600 -6.697 -6.794 -6.891 -6.988 -1.725 -1.677 -1.786 -1.961 -2.167 -2.390 -2.622 -2.858 -3.095 -3.332 -3.568 -3.803 -4.037 -4.270 -4.501 -4.958 -5.049 -5.139 -5.229 -5.319 -5.409 -5.499 -5.589 -5.679 -5.768 -5.858 -5.947 -6.037 -6.126 -6.216 -6.306 -6.396 -6.486 -6.576 -6.667 -6.757 -1.802 -1.727 -1.821 -1.985 -2.183 -2.398 -2.622 -2.851 -3.080 -3.310 -3.537 -3.763 -3.988 -4.210 -4.431 -4.866 -4.952 -5.038 -5.124 -5.209 -5.295 -5.380 -5.465 -5.549 -5.634 -5.719 -5.803 -5.888 -5.972 -6.057 -6.141 -6.226 -6.311 -6.396 -6.481 -6.566 -1.886 -1.781 -1.861 -2.014 -2.203 -2.410 -2.628 -2.849 -3.072 -3.294 -3.514 -3.732 -3.948 -4.161 -4.373 -4.789 -4.871 -4.953 -5.035 -5.117 -5.198 -5.279 -5.360 -5.441 -5.521 -5.602 -5.682 -5.762 -5.842 -5.923 -6.003 -6.083 -6.164 -6.244 -6.325 -6.406 99999.999 -1.840 -1.904 -2.047 -2.227 -2.427 -2.637 -2.852 -3.068 -3.283 -3.497 -3.708 -3.916 -4.122 -4.325 -4.724 -4.803 -4.882 -4.960 -5.038 -5.116 -5.194 -5.271 -5.348 -5.425 -5.502 -5.579 -5.655 -5.732 -5.809 -5.885 -5.962 -6.039 -6.116 -6.192 -6.269 Zn(Ac)2,aq Zn(CH3COO)2 P-T:All Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: Shock07 2 1.000 15 2.000 35 -3.808 -3.452 -3.428 -3.585 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.808 -3.452 -3.428 -3.585 -3.859 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.808 -3.452 -3.427 -3.584 -3.859 -4.219 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-7.433 -8.253 -9.128 -10.072 -11.133 -12.939 -13.390 -13.866 -14.379 -14.952 -15.624 -16.436 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.859 -3.928 -3.601 -3.611 -3.838 -4.215 -4.703 -5.277 -5.923 -6.628 -7.387 -8.196 -9.055 -9.974 -10.987 -12.802 -13.235 -13.686 -14.161 -14.669 -15.226 -15.852 -16.570 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.844 -3.908 -3.580 -3.589 -3.814 -4.189 -4.676 -5.248 -5.889 -6.590 -7.342 -8.141 -8.987 -9.883 -10.856 -12.677 -13.096 -13.529 -13.980 -14.452 -14.954 -15.495 -16.087 -16.741 -17.463 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.829 -3.889 -3.559 -3.567 -3.791 -4.165 -4.649 -5.219 -5.857 -6.553 -7.299 -8.090 -8.923 -9.800 -10.739 -12.562 -12.969 -13.388 -13.821 -14.270 -14.739 -15.233 -15.759 -16.323 -16.930 -17.582 -18.275 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.815 -3.871 -3.539 -3.546 -3.769 -4.141 -4.623 -5.190 -5.825 -6.517 -7.257 -8.040 -8.862 -9.724 -10.635 -12.455 -12.852 -13.260 -13.679 -14.110 -14.557 -15.021 -15.507 -16.018 -16.557 -17.127 -17.727 -18.353 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.802 -3.853 -3.520 -3.525 -3.747 -4.118 -4.598 -5.163 -5.795 -6.482 -7.217 -7.993 -8.806 -9.653 -10.542 -12.354 -12.744 -13.141 -13.549 -13.966 -14.396 -14.840 -15.299 -15.775 -16.272 -16.789 -17.328 -17.887 -18.462 -19.047 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.790 -3.837 -3.501 -3.505 -3.726 -4.095 -4.574 -5.136 -5.765 -6.448 -7.178 -7.948 -8.752 -9.588 -10.459 -12.260 -12.642 -13.031 -13.428 -13.835 -14.251 -14.678 -15.118 -15.571 -16.038 -16.520 -17.018 -17.530 -18.055 -18.589 -19.128 99999.999 99999.999 99999.999 99999.999 99999.999 -4.778 -3.820 -3.483 -3.486 -3.705 -4.073 -4.550 -5.110 -5.736 -6.416 -7.141 -7.905 -8.702 -9.528 -10.384 -12.170 -12.546 -12.927 -13.316 -13.713 -14.118 -14.533 -14.957 -15.392 -15.837 -16.295 -16.763 -17.243 -17.732 -18.229 -18.729 -19.230 -19.727 99999.999 99999.999 99999.999 -4.768 -3.805 -3.465 -3.467 -3.685 -4.051 -4.527 -5.084 -5.707 -6.383 -7.104 -7.863 -8.653 -9.472 -10.317 -12.085 -12.455 -12.830 -13.211 -13.600 -13.995 -14.399 -14.811 -15.231 -15.660 -16.099 -16.546 -17.002 -17.465 -17.933 -18.405 -18.878 -19.348 -19.812 99999.999 99999.999 -4.758 -3.790 -3.448 -3.448 -3.665 -4.030 -4.504 -5.059 -5.679 -6.352 -7.069 -7.823 -8.607 -9.419 -10.255 -12.004 -12.368 -12.737 -13.112 -13.493 -13.881 -14.275 -14.676 -15.085 -15.501 -15.924 -16.355 -16.792 -17.235 -17.683 -18.133 -18.584 -19.033 -19.477 -19.914 -20.340 -4.749 -3.776 -3.431 -3.430 -3.646 -4.010 -4.481 -5.035 -5.652 -6.322 -7.035 -7.784 -8.563 -9.368 -10.197 -11.927 -12.286 -12.650 -13.019 -13.393 -13.773 -14.159 -14.551 -14.950 -15.355 -15.766 -16.183 -16.606 -17.033 -17.464 -17.897 -18.331 -18.763 -19.192 -19.615 -20.029 -4.699 -3.663 -3.292 -3.274 -3.477 -3.828 -4.284 -4.818 -5.412 -6.054 -6.734 -7.444 -8.179 -8.935 -9.707 -11.295 -11.619 -11.946 -12.275 -12.607 -12.941 -13.277 -13.616 -13.957 -14.301 -14.647 -14.996 -15.346 -15.698 -16.052 -16.407 -16.763 -17.120 -17.476 -17.832 -18.186 -4.708 -3.598 -3.194 -3.157 -3.345 -3.682 -4.125 -4.643 -5.219 -5.838 -6.492 -7.174 -7.877 -8.597 -9.330 -10.827 -11.130 -11.435 -11.741 -12.049 -12.358 -12.668 -12.979 -13.292 -13.606 -13.921 -14.238 -14.555 -14.874 -15.194 -15.514 -15.836 -16.158 -16.480 -16.803 -17.127 -4.764 -3.570 -3.128 -3.069 -3.242 -3.566 -3.995 -4.499 -5.059 -5.661 -6.295 -6.953 -7.631 -8.323 -9.026 -10.456 -10.745 -11.035 -11.325 -11.617 -11.908 -12.201 -12.494 -12.788 -13.083 -13.378 -13.674 -13.971 -14.269 -14.567 -14.865 -15.164 -15.464 -15.764 -16.064 -16.365 -4.858 -3.572 -3.089 -3.007 -3.162 -3.473 -3.889 -4.381 -4.927 -5.513 -6.130 -6.769 -7.426 -8.096 -8.776 -10.153 -10.431 -10.709 -10.987 -11.266 -11.545 -11.825 -12.105 -12.386 -12.666 -12.948 -13.229 -13.511 -13.793 -14.075 -14.358 -14.641 -14.925 -15.209 -15.493 -15.777 -4.983 -3.600 -3.073 -2.964 -3.102 -3.399 -3.803 -4.283 -4.816 -5.389 -5.991 -6.614 -7.254 -7.905 -8.565 -9.899 -10.168 -10.436 -10.705 -10.975 -11.244 -11.514 -11.783 -12.053 -12.323 -12.593 -12.864 -13.134 -13.405 -13.676 -13.946 -14.217 -14.489 -14.760 -15.032 -15.303 -5.134 -3.648 -3.075 -2.940 -3.059 -3.341 -3.733 -4.201 -4.723 -5.284 -5.873 -6.483 -7.107 -7.742 -8.385 -9.683 -9.944 -10.205 -10.466 -10.728 -10.989 -11.250 -11.512 -11.773 -12.035 -12.296 -12.558 -12.819 -13.080 -13.342 -13.603 -13.865 -14.126 -14.388 -14.650 -14.912 -5.306 -3.713 -3.093 -2.930 -3.030 -3.297 -3.677 -4.134 -4.645 -5.195 -5.773 -6.370 -6.981 -7.602 -8.230 -9.498 -9.752 -10.007 -10.261 -10.516 -10.770 -11.025 -11.279 -11.534 -11.788 -12.042 -12.296 -12.551 -12.805 -13.058 -13.312 -13.566 -13.820 -14.074 -14.328 -14.582 99999.999 -3.793 -3.124 -2.933 -3.013 -3.265 -3.632 -4.078 -4.579 -5.119 -5.686 -6.273 -6.872 -7.481 -8.097 -9.337 -9.586 -9.834 -10.083 -10.332 -10.581 -10.830 -11.078 -11.327 -11.575 -11.823 -12.071 -12.319 -12.567 -12.815 -13.062 -13.310 -13.558 -13.805 -14.052 -14.300 ScOH+2 ScOH(+2) P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 3 -1.000 1 1.000 49 1.000 2 142.834 130.320 119.770 110.762 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.834 130.320 119.770 110.762 102.980 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.834 130.320 119.770 110.762 102.980 96.191 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.834 130.319 119.770 110.762 102.980 96.191 90.214 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.834 130.319 119.770 110.762 102.980 96.191 90.214 84.910 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.834 130.319 119.770 110.761 102.980 96.191 90.214 84.911 80.171 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.833 130.319 119.769 110.761 102.980 96.191 90.214 84.911 80.172 75.907 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.832 130.318 119.769 110.761 102.980 96.191 90.215 84.912 80.173 75.909 72.048 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.831 130.317 119.768 110.761 102.980 96.192 90.216 84.913 80.175 75.912 72.051 68.533 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.829 130.316 119.768 110.760 102.980 96.192 90.217 84.915 80.177 75.915 72.056 68.540 65.324 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.827 130.314 119.767 110.760 102.980 96.192 90.218 84.917 80.180 75.919 72.062 68.549 65.334 62.404 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.824 130.312 119.765 110.759 102.980 96.193 90.219 84.919 80.183 75.924 72.069 68.560 65.348 62.407 59.809 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.821 130.311 119.764 110.758 102.979 96.193 90.220 84.920 80.186 75.928 72.075 68.568 65.360 62.417 59.732 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.818 130.308 119.762 110.757 102.979 96.193 90.221 84.923 80.189 75.933 72.083 68.580 65.377 62.436 59.713 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.814 130.306 119.760 110.756 102.978 96.193 90.222 84.925 80.192 75.938 72.090 68.591 65.393 62.457 59.728 58.245 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.811 130.303 119.758 110.754 102.977 96.193 90.223 84.926 80.195 75.942 72.097 68.601 65.409 62.479 59.757 56.372 56.414 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.807 130.300 119.756 110.753 102.977 96.193 90.223 84.928 80.198 75.947 72.103 68.611 65.423 62.501 59.790 55.919 55.442 55.215 55.263 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.803 130.297 119.754 110.751 102.976 96.193 90.224 84.929 80.201 75.951 72.109 68.620 65.437 62.521 59.823 55.711 55.073 54.560 54.205 54.014 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.799 130.294 119.752 110.749 102.974 96.192 90.224 84.931 80.203 75.954 72.115 68.628 65.449 62.539 59.853 55.592 54.880 54.248 53.713 53.289 52.973 52.732 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.795 130.291 119.749 110.748 102.973 96.192 90.224 84.932 80.205 75.958 72.120 68.636 65.460 62.556 59.881 55.515 54.763 54.070 53.445 52.897 52.432 52.045 51.718 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.790 130.288 119.747 110.746 102.972 96.191 90.224 84.933 80.207 75.961 72.125 68.643 65.470 62.570 59.906 55.463 54.685 53.956 53.280 52.662 52.108 51.618 51.189 50.809 50.461 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.786 130.285 119.744 110.744 102.971 96.191 90.225 84.934 80.209 75.964 72.129 68.649 65.479 62.583 59.926 55.426 54.631 53.879 53.171 52.510 51.900 51.344 50.840 50.386 49.973 49.591 49.229 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.782 130.281 119.742 110.742 102.969 96.190 90.224 84.935 80.211 75.967 72.133 68.655 65.487 62.594 59.943 55.398 54.592 53.824 53.094 52.405 51.760 51.159 50.603 50.092 49.622 49.189 48.785 48.404 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.777 130.278 119.739 110.740 102.968 96.189 90.224 84.935 80.213 75.970 72.137 68.660 65.494 62.603 59.956 55.379 54.563 53.783 53.038 52.330 51.660 51.028 50.436 49.884 49.370 48.893 48.448 48.030 47.636 47.262 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.773 130.275 119.736 110.738 102.966 96.188 90.224 84.936 80.214 75.972 72.141 68.665 65.500 62.610 59.965 55.364 54.542 53.753 52.997 52.275 51.587 50.933 50.315 49.733 49.186 48.673 48.192 47.740 47.315 46.913 46.532 99999.999 99999.999 99999.999 99999.999 99999.999 142.768 130.271 119.734 110.736 102.965 96.187 90.224 84.936 80.215 75.974 72.144 68.669 65.505 62.616 59.973 55.353 54.526 53.730 52.966 52.233 51.532 50.862 50.225 49.620 49.048 48.507 47.997 47.516 47.062 46.633 46.227 45.842 45.476 99999.999 99999.999 99999.999 142.763 130.268 119.731 110.733 102.963 96.186 90.223 84.936 80.216 75.976 72.147 68.673 65.510 62.621 59.978 55.345 54.513 53.713 52.942 52.201 51.490 50.808 50.157 49.535 48.943 48.381 47.847 47.342 46.863 46.409 45.979 45.571 45.184 44.816 99999.999 99999.999 142.759 130.264 119.728 110.731 102.961 96.184 90.223 84.937 80.217 75.978 72.150 68.677 65.514 62.625 59.981 55.339 54.504 53.699 52.923 52.176 51.457 50.766 50.104 49.469 48.862 48.283 47.731 47.206 46.706 46.231 45.779 45.350 44.942 44.554 44.185 43.835 142.754 130.260 119.725 110.729 102.959 96.183 90.222 84.937 80.218 75.980 72.153 68.680 65.518 62.629 59.984 55.335 54.497 53.689 52.909 52.157 51.432 50.734 50.062 49.417 48.799 48.206 47.639 47.098 46.581 46.088 45.618 45.169 44.742 44.336 43.948 43.579 142.703 130.220 119.692 110.702 102.938 96.167 90.211 84.933 80.222 75.991 72.172 68.707 65.550 62.665 60.018 55.341 54.492 53.670 52.873 52.101 51.351 50.625 49.920 49.236 48.572 47.928 47.303 46.697 46.109 45.538 44.985 44.448 43.927 43.422 42.932 42.457 142.646 130.176 119.655 110.670 102.911 96.145 90.195 84.922 80.217 75.993 72.181 68.723 65.573 62.692 60.049 55.371 54.521 53.697 52.897 52.120 51.366 50.634 49.923 49.231 48.559 47.906 47.270 46.651 46.048 45.462 44.891 44.334 43.792 43.264 42.749 42.247 142.586 130.128 119.615 110.635 102.881 96.120 90.174 84.906 80.206 75.988 72.182 68.730 65.586 62.711 60.073 55.401 54.552 53.728 52.928 52.151 51.397 50.664 49.952 49.259 48.585 47.930 47.291 46.670 46.064 45.474 44.898 44.337 43.790 43.256 42.734 42.225 142.523 130.078 119.572 110.598 102.849 96.092 90.150 84.886 80.191 75.978 72.177 68.731 65.593 62.723 60.090 55.427 54.578 53.755 52.957 52.181 51.428 50.696 49.984 49.292 48.618 47.963 47.324 46.703 46.097 45.506 44.930 44.369 43.820 43.285 42.763 42.252 142.458 130.025 119.527 110.558 102.814 96.061 90.124 84.864 80.173 75.964 72.168 68.727 65.594 62.729 60.100 55.446 54.599 53.778 52.981 52.206 51.454 50.723 50.013 49.322 48.649 47.995 47.357 46.737 46.132 45.542 44.967 44.406 43.858 43.323 42.801 42.291 142.391 129.971 119.480 110.517 102.777 96.029 90.095 84.839 80.152 75.947 72.155 68.718 65.590 62.730 60.106 55.460 54.615 53.795 52.999 52.226 51.476 50.746 50.037 49.347 48.676 48.023 47.387 46.767 46.163 45.575 45.001 44.441 43.894 43.361 42.840 42.331 142.323 129.916 119.432 110.475 102.740 95.995 90.065 84.812 80.129 75.928 72.140 68.707 65.582 62.726 60.107 55.469 54.625 53.807 53.013 52.241 51.492 50.764 50.056 49.368 48.698 48.046 47.411 46.793 46.190 45.603 45.030 44.471 43.926 43.394 42.874 42.367 99999.999 129.861 119.384 110.432 102.701 95.960 90.034 84.785 80.104 75.907 72.122 68.692 65.571 62.720 60.104 55.473 54.631 53.814 53.022 52.252 51.504 50.777 50.071 49.383 48.715 48.064 47.431 46.814 46.212 45.626 45.055 44.497 43.953 43.422 42.904 42.397 ScO+ ScO(+1) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 3 -2.000 1 1.000 49 1.000 2 11.502 9.740 8.338 7.200 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.502 9.740 8.338 7.200 6.261 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.502 9.740 8.338 7.200 6.262 5.476 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.502 9.740 8.338 7.200 6.262 5.476 4.809 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.503 9.740 8.339 7.201 6.262 5.477 4.810 4.235 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.503 9.741 8.339 7.201 6.263 5.477 4.811 4.236 3.734 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.503 9.741 8.340 7.202 6.264 5.479 4.812 4.238 3.737 3.290 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.504 9.742 8.341 7.203 6.265 5.480 4.814 4.241 3.740 3.294 2.886 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.505 9.743 8.342 7.205 6.267 5.483 4.817 4.245 3.745 3.300 2.894 2.512 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.506 9.745 8.344 7.207 6.270 5.486 4.821 4.249 3.751 3.308 2.904 2.525 2.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.507 9.747 8.346 7.210 6.273 5.490 4.826 4.256 3.758 3.318 2.917 2.543 2.188 1.875 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.508 9.749 8.349 7.213 6.277 5.495 4.832 4.263 3.768 3.330 2.933 2.565 2.217 1.892 1.718 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.509 9.750 8.351 7.216 6.280 5.499 4.837 4.269 3.775 3.339 2.946 2.582 2.239 1.915 1.628 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.511 9.753 8.354 7.219 6.284 5.504 4.843 4.277 3.785 3.352 2.963 2.606 2.272 1.953 1.621 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.512 9.755 8.357 7.223 6.289 5.509 4.850 4.285 3.795 3.364 2.979 2.628 2.303 1.995 1.660 5.671 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.513 9.757 8.359 7.226 6.292 5.514 4.856 4.292 3.804 3.376 2.994 2.649 2.333 2.036 1.715 3.175 4.315 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.514 9.758 8.362 7.229 6.296 5.518 4.861 4.300 3.813 3.387 3.009 2.669 2.361 2.076 1.775 2.575 3.024 3.771 4.837 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.514 9.760 8.364 7.232 6.300 5.523 4.867 4.307 3.822 3.398 3.023 2.688 2.387 2.113 1.834 2.305 2.537 2.905 3.452 4.177 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.515 9.762 8.366 7.234 6.303 5.527 4.872 4.313 3.830 3.408 3.036 2.706 2.412 2.148 1.889 2.155 2.289 2.498 2.806 3.230 3.764 4.361 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.515 9.763 8.368 7.237 6.306 5.531 4.877 4.320 3.838 3.418 3.049 2.723 2.434 2.179 1.939 2.061 2.141 2.269 2.457 2.719 3.061 3.477 3.939 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.516 9.764 8.370 7.240 6.310 5.535 4.882 4.326 3.846 3.428 3.061 2.738 2.455 2.207 1.983 2.000 2.047 2.126 2.247 2.416 2.642 2.925 3.261 3.632 4.016 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.516 9.765 8.372 7.242 6.313 5.539 4.887 4.332 3.853 3.437 3.073 2.753 2.474 2.232 2.020 1.959 1.983 2.032 2.110 2.223 2.376 2.572 2.812 3.090 3.397 3.719 4.042 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.516 9.766 8.373 7.244 6.315 5.543 4.892 4.338 3.861 3.446 3.084 2.767 2.491 2.255 2.052 1.932 1.940 1.968 2.017 2.093 2.198 2.336 2.509 2.715 2.952 3.211 3.486 3.768 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.516 9.767 8.375 7.246 6.318 5.546 4.896 4.343 3.868 3.455 3.094 2.779 2.507 2.274 2.079 1.913 1.910 1.922 1.952 2.002 2.075 2.173 2.298 2.451 2.631 2.836 3.060 3.299 3.547 3.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.516 9.768 8.376 7.248 6.321 5.549 4.900 4.349 3.874 3.463 3.104 2.792 2.521 2.291 2.100 1.902 1.890 1.891 1.906 1.937 1.987 2.056 2.148 2.261 2.398 2.558 2.737 2.934 3.145 3.366 3.595 99999.999 99999.999 99999.999 99999.999 99999.999 11.515 9.769 8.378 7.250 6.323 5.553 4.905 4.354 3.881 3.471 3.114 2.803 2.534 2.305 2.117 1.895 1.876 1.869 1.873 1.891 1.923 1.972 2.038 2.123 2.227 2.350 2.493 2.652 2.827 3.015 3.215 3.423 3.640 99999.999 99999.999 99999.999 11.515 9.770 8.379 7.252 6.326 5.556 4.909 4.359 3.887 3.479 3.123 2.814 2.546 2.318 2.131 1.892 1.868 1.854 1.850 1.857 1.876 1.909 1.956 2.019 2.098 2.194 2.306 2.435 2.578 2.736 2.905 3.086 3.277 3.477 99999.999 99999.999 11.514 9.770 8.380 7.254 6.328 5.559 4.912 4.364 3.893 3.486 3.132 2.824 2.557 2.330 2.142 1.892 1.864 1.844 1.833 1.832 1.842 1.862 1.895 1.941 2.001 2.075 2.163 2.266 2.383 2.513 2.656 2.810 2.976 3.151 3.335 3.529 11.514 9.770 8.381 7.255 6.330 5.562 4.916 4.368 3.899 3.493 3.141 2.834 2.568 2.341 2.153 1.894 1.862 1.838 1.822 1.815 1.816 1.828 1.849 1.882 1.926 1.983 2.052 2.134 2.229 2.336 2.455 2.586 2.727 2.879 3.040 3.211 11.502 9.770 8.387 7.267 6.347 5.584 4.946 4.407 3.949 3.555 3.215 2.920 2.664 2.444 2.256 1.968 1.923 1.882 1.846 1.813 1.785 1.760 1.739 1.722 1.709 1.700 1.696 1.695 1.698 1.705 1.717 1.734 1.754 1.779 1.809 1.843 11.481 9.762 8.386 7.271 6.356 5.599 4.967 4.435 3.985 3.600 3.270 2.986 2.741 2.530 2.348 2.064 2.019 1.976 1.937 1.901 1.868 1.837 1.809 1.784 1.761 1.741 1.722 1.706 1.692 1.681 1.671 1.663 1.657 1.653 1.650 1.650 11.455 9.748 8.379 7.269 6.360 5.607 4.980 4.454 4.011 3.634 3.313 3.038 2.802 2.600 2.426 2.154 2.110 2.069 2.031 1.996 1.963 1.932 1.904 1.878 1.854 1.832 1.812 1.793 1.776 1.761 1.746 1.733 1.722 1.711 1.701 1.692 11.423 9.730 8.368 7.263 6.358 5.610 4.988 4.468 4.030 3.660 3.346 3.079 2.851 2.657 2.491 2.233 2.191 2.153 2.117 2.083 2.052 2.023 1.997 1.972 1.950 1.929 1.909 1.891 1.875 1.860 1.846 1.833 1.821 1.810 1.799 1.790 11.388 9.708 8.354 7.254 6.353 5.610 4.992 4.476 4.043 3.679 3.371 3.111 2.890 2.703 2.545 2.300 2.261 2.225 2.191 2.160 2.131 2.105 2.080 2.058 2.037 2.018 2.001 1.985 1.970 1.957 1.944 1.933 1.922 1.913 1.904 1.896 11.350 9.684 8.336 7.242 6.345 5.606 4.992 4.480 4.052 3.692 3.390 3.136 2.922 2.741 2.590 2.358 2.321 2.287 2.256 2.227 2.200 2.176 2.154 2.134 2.115 2.098 2.083 2.069 2.056 2.045 2.035 2.025 2.017 2.009 2.003 1.996 11.309 9.657 8.317 7.227 6.335 5.599 4.989 4.481 4.057 3.702 3.404 3.155 2.946 2.772 2.626 2.406 2.372 2.340 2.311 2.284 2.260 2.238 2.218 2.200 2.183 2.169 2.155 2.144 2.133 2.124 2.115 2.108 2.102 2.096 2.092 2.087 99999.999 9.629 8.295 7.210 6.323 5.591 4.984 4.479 4.059 3.708 3.414 3.170 2.966 2.796 2.656 2.447 2.415 2.385 2.358 2.334 2.311 2.291 2.273 2.257 2.243 2.230 2.219 2.209 2.200 2.193 2.187 2.181 2.177 2.173 2.171 2.168 HScO2,aq HScO2(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 3.000 Ref: Shock07 3 -3.000 1 1.000 49 2.000 2 18.847 16.108 13.958 12.235 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.847 16.108 13.958 12.235 10.834 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.847 16.108 13.958 12.235 10.835 9.681 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.847 16.109 13.959 12.236 10.835 9.681 8.719 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.848 16.110 13.959 12.237 10.836 9.683 8.721 7.908 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.849 16.111 13.961 12.238 10.838 9.684 8.722 7.910 7.216 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.850 16.113 13.963 12.240 10.840 9.687 8.725 7.914 7.220 6.615 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.853 16.115 13.966 12.243 10.843 9.690 8.729 7.918 7.225 6.622 6.082 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.856 16.119 13.969 12.247 10.848 9.695 8.735 7.925 7.232 6.631 6.094 5.598 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.859 16.124 13.974 12.253 10.853 9.701 8.742 7.933 7.242 6.643 6.109 5.618 5.157 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.864 16.130 13.981 12.260 10.861 9.710 8.751 7.943 7.255 6.658 6.128 5.643 5.189 4.786 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.870 16.137 13.989 12.269 10.870 9.720 8.763 7.957 7.270 6.677 6.152 5.675 5.231 4.818 4.570 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.875 16.143 13.995 12.275 10.877 9.728 8.771 7.967 7.282 6.691 6.170 5.700 5.263 4.852 4.475 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.881 16.151 14.004 12.284 10.887 9.739 8.784 7.981 7.298 6.710 6.195 5.733 5.309 4.908 4.483 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.887 16.158 14.012 12.293 10.897 9.749 8.796 7.994 7.314 6.729 6.219 5.765 5.353 4.967 4.545 9.325 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.892 16.165 14.020 12.302 10.906 9.759 8.807 8.008 7.329 6.748 6.242 5.796 5.395 5.025 4.625 6.404 7.747 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.897 16.172 14.028 12.310 10.915 9.769 8.818 8.020 7.344 6.765 6.264 5.824 5.434 5.080 4.708 5.701 6.236 7.119 8.358 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.902 16.179 14.036 12.318 10.924 9.779 8.829 8.033 7.358 6.782 6.285 5.852 5.471 5.132 4.789 5.389 5.669 6.109 6.756 7.602 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.907 16.185 14.043 12.326 10.932 9.788 8.839 8.044 7.372 6.799 6.305 5.877 5.506 5.180 4.864 5.217 5.382 5.636 6.005 6.509 7.136 7.825 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.911 16.192 14.050 12.334 10.941 9.797 8.849 8.056 7.386 6.814 6.324 5.902 5.538 5.224 4.933 5.113 5.214 5.372 5.602 5.917 6.325 6.815 7.354 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.915 16.197 14.057 12.341 10.949 9.806 8.859 8.067 7.399 6.829 6.342 5.924 5.567 5.263 4.993 5.047 5.109 5.211 5.361 5.569 5.842 6.182 6.580 7.016 7.462 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.919 16.203 14.063 12.348 10.956 9.814 8.868 8.078 7.411 6.844 6.360 5.946 5.594 5.298 5.045 5.004 5.040 5.105 5.206 5.348 5.537 5.776 6.066 6.399 6.763 7.140 7.516 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.922 16.209 14.069 12.355 10.964 9.822 8.878 8.088 7.423 6.858 6.377 5.966 5.618 5.329 5.089 4.976 4.994 5.034 5.102 5.201 5.334 5.507 5.719 5.970 6.255 6.567 6.893 7.225 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.926 16.214 14.075 12.362 10.971 9.830 8.887 8.098 7.435 6.872 6.393 5.985 5.641 5.357 5.126 4.959 4.963 4.987 5.031 5.100 5.195 5.321 5.479 5.669 5.891 6.140 6.411 6.698 6.995 7.297 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.929 16.219 14.081 12.368 10.978 9.838 8.895 8.108 7.446 6.885 6.408 6.003 5.662 5.381 5.156 4.950 4.944 4.954 4.982 5.029 5.098 5.190 5.309 5.454 5.626 5.824 6.045 6.286 6.543 6.811 7.088 99999.999 99999.999 99999.999 99999.999 99999.999 18.932 16.223 14.087 12.374 10.985 9.846 8.904 8.118 7.457 6.898 6.423 6.019 5.681 5.402 5.181 4.947 4.933 4.933 4.948 4.979 5.028 5.096 5.186 5.297 5.432 5.589 5.768 5.967 6.184 6.416 6.661 6.916 7.181 99999.999 99999.999 99999.999 18.934 16.228 14.092 12.380 10.991 9.853 8.912 8.127 7.468 6.910 6.437 6.036 5.699 5.421 5.202 4.947 4.927 4.920 4.925 4.944 4.978 5.028 5.096 5.182 5.287 5.413 5.557 5.721 5.903 6.100 6.312 6.537 6.774 7.022 99999.999 99999.999 18.937 16.232 14.098 12.386 10.998 9.860 8.920 8.136 7.478 6.922 6.451 6.051 5.715 5.439 5.219 4.951 4.927 4.913 4.910 4.920 4.942 4.978 5.029 5.096 5.179 5.279 5.396 5.531 5.682 5.849 6.031 6.226 6.435 6.655 6.887 7.131 18.939 16.237 14.103 12.392 11.004 9.867 8.927 8.145 7.488 6.934 6.464 6.066 5.731 5.455 5.235 4.957 4.929 4.910 4.902 4.904 4.917 4.942 4.980 5.032 5.097 5.177 5.273 5.383 5.509 5.649 5.804 5.973 6.154 6.349 6.554 6.772 18.950 16.269 14.144 12.439 11.056 9.925 8.993 8.220 7.575 7.034 6.579 6.195 5.873 5.606 5.387 5.078 5.035 4.998 4.966 4.939 4.918 4.903 4.892 4.886 4.886 4.891 4.901 4.916 4.937 4.963 4.994 5.031 5.073 5.121 5.175 5.234 18.946 16.286 14.171 12.472 11.094 9.968 9.042 8.277 7.641 7.111 6.667 6.297 5.987 5.730 5.520 5.218 5.174 5.135 5.100 5.070 5.044 5.022 5.004 4.989 4.978 4.970 4.966 4.964 4.965 4.969 4.976 4.985 4.997 5.011 5.028 5.047 18.929 16.293 14.188 12.495 11.122 10.001 9.080 8.320 7.692 7.171 6.737 6.377 6.078 5.832 5.632 5.345 5.303 5.266 5.233 5.204 5.179 5.157 5.139 5.124 5.112 5.103 5.096 5.092 5.090 5.090 5.092 5.096 5.102 5.109 5.118 5.127 18.903 16.291 14.196 12.510 11.142 10.025 9.108 8.354 7.732 7.217 6.792 6.441 6.152 5.916 5.725 5.454 5.415 5.381 5.351 5.324 5.302 5.283 5.267 5.254 5.243 5.236 5.231 5.228 5.227 5.228 5.231 5.235 5.241 5.248 5.257 5.266 18.870 16.282 14.198 12.518 11.154 10.042 9.129 8.380 7.763 7.254 6.836 6.493 6.212 5.985 5.802 5.548 5.512 5.481 5.454 5.430 5.410 5.394 5.381 5.370 5.363 5.358 5.355 5.354 5.356 5.359 5.364 5.371 5.379 5.388 5.399 5.410 18.831 16.267 14.194 12.520 11.162 10.053 9.145 8.399 7.787 7.283 6.871 6.534 6.261 6.041 5.866 5.628 5.595 5.567 5.542 5.521 5.504 5.491 5.480 5.473 5.468 5.465 5.465 5.468 5.472 5.478 5.485 5.495 5.505 5.517 5.530 5.544 18.787 16.249 14.186 12.518 11.164 10.060 9.155 8.414 7.805 7.306 6.899 6.568 6.301 6.088 5.920 5.696 5.665 5.640 5.618 5.600 5.586 5.575 5.567 5.562 5.560 5.560 5.562 5.567 5.574 5.582 5.593 5.605 5.618 5.632 5.648 5.665 99999.999 16.227 14.174 12.512 11.163 10.063 9.162 8.424 7.819 7.324 6.922 6.595 6.334 6.126 5.965 5.753 5.726 5.702 5.683 5.668 5.656 5.647 5.642 5.639 5.639 5.642 5.647 5.654 5.663 5.674 5.687 5.701 5.717 5.734 5.752 5.771 ScO2- ScO2(-1) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 4.000 Ref: Shock07 3 -4.000 1 1.000 49 2.000 2 29.408 26.004 23.264 21.021 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.408 26.004 23.264 21.021 19.159 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.408 26.004 23.264 21.021 19.159 17.598 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.408 26.004 23.265 21.021 19.160 17.598 16.276 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.408 26.004 23.265 21.022 19.160 17.598 16.276 15.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.409 26.005 23.266 21.022 19.161 17.599 16.277 15.149 14.180 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.409 26.006 23.266 21.023 19.162 17.600 16.278 15.150 14.181 13.346 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.410 26.007 23.268 21.025 19.163 17.602 16.280 15.152 14.183 13.348 12.623 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.410 26.008 23.269 21.026 19.165 17.604 16.282 15.154 14.186 13.351 12.626 12.000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.411 26.010 23.271 21.029 19.167 17.606 16.285 15.157 14.189 13.354 12.630 12.004 11.483 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.412 26.012 23.274 21.032 19.171 17.610 16.288 15.161 14.194 13.359 12.636 12.009 11.482 11.124 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.413 26.015 23.277 21.035 19.174 17.614 16.293 15.166 14.199 13.365 12.643 12.017 11.485 11.083 11.097 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.414 26.017 23.280 21.038 19.177 17.617 16.296 15.170 14.203 13.370 12.648 12.023 11.490 11.069 10.872 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.414 26.019 23.283 21.042 19.181 17.621 16.301 15.175 14.209 13.376 12.655 12.032 11.499 11.065 10.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.415 26.021 23.286 21.045 19.185 17.625 16.305 15.180 14.215 13.382 12.663 12.041 11.510 11.070 10.710 16.836 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.415 26.024 23.289 21.048 19.189 17.629 16.310 15.185 14.220 13.388 12.670 12.050 11.521 11.081 10.706 12.891 14.725 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.415 26.025 23.292 21.051 19.192 17.633 16.314 15.189 14.225 13.394 12.676 12.059 11.532 11.093 10.718 11.897 12.640 13.871 15.673 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.415 26.027 23.294 21.054 19.195 17.636 16.317 15.193 14.229 13.399 12.683 12.067 11.543 11.107 10.736 11.419 11.818 12.439 13.360 14.604 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.414 26.029 23.296 21.057 19.198 17.639 16.321 15.197 14.234 13.404 12.689 12.074 11.552 11.119 10.756 11.130 11.370 11.736 12.266 12.997 13.932 15.013 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.413 26.030 23.298 21.059 19.200 17.642 16.324 15.201 14.238 13.409 12.694 12.081 11.561 11.131 10.776 10.935 11.085 11.317 11.652 12.113 12.714 13.455 14.300 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.413 26.031 23.300 21.061 19.203 17.645 16.327 15.205 14.242 13.414 12.700 12.087 11.569 11.141 10.792 10.793 10.887 11.039 11.261 11.568 11.972 12.481 13.089 13.775 14.505 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.412 26.032 23.302 21.063 19.205 17.648 16.330 15.208 14.246 13.418 12.705 12.093 11.576 11.148 10.805 10.686 10.741 10.840 10.991 11.203 11.484 11.843 12.281 12.793 13.366 13.978 14.606 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.410 26.032 23.303 21.065 19.208 17.650 16.333 15.211 14.250 13.422 12.709 12.098 11.581 11.154 10.814 10.603 10.630 10.692 10.794 10.942 11.143 11.401 11.722 12.106 12.546 13.035 13.557 14.100 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.409 26.033 23.305 21.067 19.210 17.652 16.336 15.214 14.253 13.426 12.714 12.103 11.586 11.159 10.819 10.536 10.542 10.576 10.643 10.747 10.891 11.081 11.320 11.609 11.948 12.334 12.758 13.212 13.686 14.171 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.407 26.033 23.306 21.069 19.211 17.655 16.338 15.217 14.257 13.430 12.718 12.107 11.589 11.161 10.821 10.482 10.471 10.485 10.526 10.596 10.700 10.840 11.019 11.240 11.503 11.806 12.147 12.520 12.920 13.339 13.772 99999.999 99999.999 99999.999 99999.999 99999.999 29.405 26.034 23.307 21.070 19.213 17.657 16.341 15.220 14.260 13.433 12.722 12.111 11.592 11.162 10.819 10.438 10.414 10.411 10.431 10.477 10.550 10.653 10.788 10.958 11.162 11.402 11.675 11.980 12.313 12.669 13.044 13.432 13.832 99999.999 99999.999 99999.999 29.404 26.034 23.308 21.071 19.215 17.658 16.343 15.222 14.263 13.437 12.725 12.114 11.595 11.162 10.816 10.400 10.366 10.350 10.355 10.381 10.430 10.505 10.606 10.736 10.896 11.086 11.306 11.555 11.830 12.130 12.449 12.787 13.138 13.501 99999.999 99999.999 29.401 26.034 23.308 21.072 19.216 17.660 16.345 15.225 14.265 13.440 12.728 12.117 11.597 11.162 10.811 10.369 10.326 10.300 10.291 10.301 10.332 10.384 10.460 10.559 10.684 10.835 11.012 11.215 11.443 11.693 11.964 12.254 12.560 12.879 13.210 13.551 29.399 26.033 23.309 21.073 19.217 17.662 16.347 15.227 14.268 13.443 12.732 12.120 11.599 11.161 10.806 10.343 10.292 10.257 10.238 10.236 10.251 10.286 10.340 10.415 10.513 10.632 10.775 10.940 11.128 11.337 11.567 11.814 12.078 12.357 12.648 12.951 29.369 26.024 23.308 21.077 19.224 17.671 16.359 15.242 14.287 13.466 12.758 12.146 11.619 11.169 10.788 10.217 10.131 10.054 9.986 9.927 9.877 9.835 9.802 9.778 9.762 9.754 9.756 9.765 9.784 9.810 9.846 9.889 9.941 10.001 10.068 10.143 29.328 26.004 23.297 21.071 19.221 17.670 16.361 15.247 14.296 13.478 12.773 12.164 11.638 11.184 10.796 10.189 10.092 10.003 9.921 9.845 9.777 9.714 9.658 9.608 9.564 9.526 9.493 9.466 9.443 9.426 9.413 9.405 9.402 9.403 9.408 9.417 29.279 25.975 23.278 21.057 19.211 17.663 16.355 15.245 14.296 13.482 12.780 12.174 11.650 11.197 10.807 10.188 10.087 9.993 9.905 9.823 9.748 9.678 9.613 9.554 9.500 9.450 9.405 9.364 9.328 9.295 9.266 9.240 9.218 9.199 9.183 9.170 29.222 25.941 23.253 21.038 19.195 17.649 16.345 15.236 14.290 13.479 12.781 12.178 11.657 11.206 10.817 10.194 10.092 9.996 9.906 9.821 9.743 9.670 9.602 9.539 9.480 9.426 9.376 9.329 9.287 9.248 9.212 9.180 9.150 9.124 9.099 9.078 29.161 25.902 23.224 21.014 19.175 17.632 16.330 15.224 14.280 13.471 12.776 12.176 11.658 11.209 10.822 10.201 10.098 10.002 9.911 9.826 9.746 9.672 9.603 9.538 9.477 9.421 9.369 9.320 9.276 9.234 9.196 9.160 9.128 9.098 9.070 9.045 29.095 25.859 23.191 20.986 19.151 17.611 16.311 15.208 14.266 13.459 12.766 12.169 11.654 11.209 10.824 10.206 10.103 10.007 9.916 9.831 9.752 9.677 9.607 9.542 9.481 9.424 9.371 9.322 9.276 9.233 9.194 9.157 9.124 9.092 9.064 9.037 29.027 25.814 23.155 20.956 19.125 17.588 16.290 15.189 14.249 13.445 12.754 12.160 11.647 11.204 10.822 10.208 10.106 10.010 9.920 9.835 9.756 9.682 9.612 9.547 9.486 9.429 9.376 9.326 9.280 9.238 9.198 9.161 9.127 9.096 9.066 9.040 99999.999 25.766 23.117 20.924 19.096 17.563 16.267 15.168 14.230 13.428 12.739 12.147 11.637 11.196 10.817 10.207 10.106 10.011 9.921 9.837 9.758 9.684 9.615 9.550 9.490 9.433 9.381 9.331 9.286 9.243 9.203 9.167 9.133 9.102 9.073 9.046 Sc(Ac)+2 ScCH3COO+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 2 1.000 35 1.000 49 -3.747 -3.328 -3.082 -2.941 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.747 -3.328 -3.082 -2.941 -2.874 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.747 -3.328 -3.082 -2.941 -2.874 -2.864 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.747 -3.328 -3.082 -2.941 -2.874 -2.864 -2.901 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.747 -3.328 -3.082 -2.941 -2.874 -2.864 -2.901 -2.979 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.748 -3.329 -3.082 -2.941 -2.874 -2.863 -2.900 -2.977 -3.094 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.749 -3.329 -3.083 -2.941 -2.874 -2.863 -2.899 -2.976 -3.091 -3.247 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.750 -3.330 -3.083 -2.941 -2.873 -2.862 -2.897 -2.974 -3.088 -3.242 -3.442 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.751 -3.331 -3.084 -2.941 -2.873 -2.861 -2.895 -2.970 -3.083 -3.235 -3.432 -3.687 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.753 -3.332 -3.084 -2.941 -2.872 -2.859 -2.893 -2.966 -3.077 -3.227 -3.419 -3.667 -3.991 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.756 -3.334 -3.085 -2.942 -2.871 -2.857 -2.889 -2.961 -3.070 -3.216 -3.403 -3.643 -3.952 -4.370 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.760 -3.337 -3.087 -2.942 -2.871 -2.855 -2.885 -2.955 -3.061 -3.202 -3.384 -3.613 -3.905 -4.292 -4.879 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.763 -3.339 -3.088 -2.943 -2.870 -2.853 -2.882 -2.950 -3.054 -3.192 -3.369 -3.591 -3.871 -4.237 -4.783 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.768 -3.342 -3.091 -2.944 -2.870 -2.851 -2.878 -2.944 -3.044 -3.179 -3.349 -3.561 -3.825 -4.163 -4.655 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.773 -3.346 -3.093 -2.945 -2.869 -2.850 -2.874 -2.937 -3.035 -3.166 -3.331 -3.534 -3.783 -4.097 -4.541 -4.889 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.779 -3.350 -3.096 -2.946 -2.869 -2.848 -2.871 -2.932 -3.027 -3.154 -3.313 -3.508 -3.744 -4.036 -4.437 -4.797 -4.965 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.785 -3.354 -3.098 -2.948 -2.870 -2.847 -2.868 -2.926 -3.019 -3.142 -3.296 -3.484 -3.708 -3.981 -4.345 -4.734 -4.875 -5.047 -5.320 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.791 -3.358 -3.101 -2.949 -2.870 -2.845 -2.865 -2.921 -3.011 -3.131 -3.281 -3.461 -3.675 -3.931 -4.262 -4.671 -4.804 -4.950 -5.122 -5.355 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.797 -3.363 -3.104 -2.951 -2.870 -2.844 -2.862 -2.917 -3.004 -3.121 -3.266 -3.440 -3.644 -3.885 -4.188 -4.613 -4.739 -4.874 -5.022 -5.193 -5.405 -5.682 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.804 -3.368 -3.108 -2.953 -2.871 -2.844 -2.860 -2.912 -2.997 -3.111 -3.252 -3.420 -3.616 -3.844 -4.122 -4.558 -4.679 -4.807 -4.943 -5.092 -5.260 -5.458 -5.698 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.811 -3.373 -3.111 -2.955 -2.872 -2.843 -2.857 -2.908 -2.990 -3.101 -3.239 -3.402 -3.590 -3.806 -4.064 -4.508 -4.624 -4.745 -4.874 -5.010 -5.159 -5.324 -5.510 -5.726 -5.973 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.818 -3.378 -3.115 -2.958 -2.873 -2.843 -2.855 -2.904 -2.984 -3.092 -3.226 -3.385 -3.566 -3.773 -4.012 -4.462 -4.573 -4.689 -4.811 -4.940 -5.076 -5.224 -5.384 -5.561 -5.758 -5.976 -6.214 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.825 -3.383 -3.119 -2.960 -2.874 -2.842 -2.854 -2.900 -2.978 -3.084 -3.215 -3.369 -3.544 -3.742 -3.968 -4.418 -4.525 -4.637 -4.754 -4.876 -5.004 -5.141 -5.286 -5.442 -5.610 -5.792 -5.989 -6.198 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.833 -3.388 -3.123 -2.963 -2.876 -2.842 -2.852 -2.897 -2.973 -3.076 -3.203 -3.353 -3.524 -3.715 -3.929 -4.378 -4.481 -4.589 -4.701 -4.818 -4.940 -5.068 -5.203 -5.345 -5.496 -5.657 -5.827 -6.006 -6.193 -6.385 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.841 -3.394 -3.127 -2.966 -2.877 -2.843 -2.851 -2.894 -2.968 -3.068 -3.193 -3.339 -3.505 -3.690 -3.895 -4.339 -4.440 -4.544 -4.652 -4.764 -4.881 -5.003 -5.130 -5.263 -5.402 -5.548 -5.701 -5.861 -6.026 -6.195 -6.367 99999.999 99999.999 99999.999 99999.999 99999.999 -3.849 -3.400 -3.131 -2.968 -2.879 -2.843 -2.849 -2.891 -2.963 -3.061 -3.183 -3.326 -3.488 -3.668 -3.865 -4.303 -4.400 -4.501 -4.606 -4.714 -4.826 -4.943 -5.064 -5.190 -5.321 -5.457 -5.598 -5.744 -5.894 -6.047 -6.203 -6.358 -6.512 99999.999 99999.999 99999.999 -3.857 -3.406 -3.135 -2.972 -2.880 -2.843 -2.848 -2.888 -2.958 -3.054 -3.173 -3.313 -3.472 -3.647 -3.839 -4.269 -4.363 -4.461 -4.562 -4.667 -4.775 -4.888 -5.004 -5.124 -5.248 -5.376 -5.509 -5.645 -5.784 -5.926 -6.070 -6.213 -6.356 -6.495 99999.999 99999.999 -3.866 -3.412 -3.140 -2.975 -2.882 -2.844 -2.847 -2.886 -2.954 -3.047 -3.164 -3.301 -3.457 -3.628 -3.815 -4.236 -4.328 -4.423 -4.522 -4.623 -4.728 -4.836 -4.948 -5.063 -5.182 -5.304 -5.430 -5.559 -5.690 -5.823 -5.958 -6.093 -6.226 -6.358 -6.486 -6.608 -3.874 -3.418 -3.145 -2.978 -2.884 -2.845 -2.847 -2.883 -2.950 -3.041 -3.156 -3.290 -3.442 -3.611 -3.794 -4.205 -4.295 -4.388 -4.483 -4.582 -4.683 -4.788 -4.896 -5.007 -5.121 -5.238 -5.359 -5.481 -5.606 -5.733 -5.861 -5.989 -6.116 -6.241 -6.364 -6.482 -3.973 -3.489 -3.198 -3.018 -2.911 -2.859 -2.848 -2.870 -2.920 -2.993 -3.087 -3.198 -3.325 -3.466 -3.619 -3.958 -4.031 -4.105 -4.182 -4.260 -4.340 -4.422 -4.505 -4.591 -4.678 -4.767 -4.857 -4.949 -5.042 -5.136 -5.232 -5.328 -5.425 -5.523 -5.620 -5.718 -4.087 -3.572 -3.262 -3.067 -2.948 -2.884 -2.861 -2.871 -2.907 -2.965 -3.042 -3.136 -3.244 -3.364 -3.495 -3.784 -3.846 -3.910 -3.974 -4.040 -4.108 -4.176 -4.246 -4.317 -4.390 -4.463 -4.538 -4.614 -4.692 -4.770 -4.849 -4.930 -5.011 -5.093 -5.176 -5.260 -4.215 -3.664 -3.334 -3.124 -2.993 -2.918 -2.884 -2.882 -2.906 -2.952 -3.015 -3.094 -3.186 -3.290 -3.404 -3.656 -3.710 -3.765 -3.821 -3.878 -3.937 -3.996 -4.056 -4.118 -4.180 -4.244 -4.308 -4.374 -4.440 -4.508 -4.576 -4.645 -4.715 -4.786 -4.858 -4.931 -4.353 -3.765 -3.413 -3.188 -3.045 -2.958 -2.913 -2.901 -2.915 -2.949 -3.001 -3.067 -3.147 -3.236 -3.336 -3.557 -3.605 -3.654 -3.703 -3.754 -3.805 -3.857 -3.911 -3.965 -4.020 -4.076 -4.132 -4.190 -4.249 -4.308 -4.368 -4.429 -4.491 -4.553 -4.617 -4.681 -4.500 -3.872 -3.498 -3.258 -3.101 -3.004 -2.949 -2.927 -2.931 -2.956 -2.997 -3.052 -3.120 -3.198 -3.285 -3.481 -3.524 -3.567 -3.611 -3.656 -3.702 -3.749 -3.796 -3.844 -3.893 -3.943 -3.994 -4.046 -4.098 -4.151 -4.205 -4.259 -4.314 -4.370 -4.427 -4.485 -4.653 -3.984 -3.588 -3.331 -3.162 -3.054 -2.990 -2.959 -2.953 -2.969 -3.001 -3.047 -3.104 -3.172 -3.248 -3.422 -3.460 -3.499 -3.538 -3.579 -3.620 -3.662 -3.705 -3.748 -3.792 -3.837 -3.883 -3.930 -3.977 -4.025 -4.073 -4.123 -4.173 -4.223 -4.275 -4.327 -4.811 -4.101 -3.682 -3.409 -3.228 -3.108 -3.034 -2.994 -2.981 -2.988 -3.011 -3.048 -3.097 -3.155 -3.222 -3.377 -3.411 -3.446 -3.481 -3.518 -3.555 -3.593 -3.631 -3.671 -3.711 -3.752 -3.793 -3.836 -3.879 -3.922 -3.967 -4.012 -4.057 -4.104 -4.151 -4.199 99999.999 -4.221 -3.779 -3.490 -3.296 -3.166 -3.083 -3.034 -3.012 -3.011 -3.027 -3.056 -3.097 -3.147 -3.205 -3.343 -3.373 -3.404 -3.437 -3.469 -3.503 -3.537 -3.573 -3.609 -3.645 -3.682 -3.720 -3.759 -3.798 -3.838 -3.879 -3.921 -3.963 -4.005 -4.049 -4.093 Sc(Ac)2+ Sc(CH3COO)2+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 2 2.000 35 1.000 49 -6.634 -5.791 -5.310 -5.049 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.634 -5.791 -5.310 -5.049 -4.941 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.634 -5.791 -5.310 -5.049 -4.941 -4.950 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.634 -5.790 -5.310 -5.049 -4.941 -4.949 -5.054 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.634 -5.790 -5.309 -5.048 -4.940 -4.948 -5.053 -5.241 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.633 -5.789 -5.308 -5.046 -4.938 -4.946 -5.050 -5.238 -5.503 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-7.525 -7.628 -7.731 Sc(Ac)3,aq Sc(CH3COO)3 P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 3.000 Ref: Shock07 2 3.000 35 1.000 49 -8.939 -7.594 -6.798 -6.337 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.939 -7.594 -6.798 -6.337 -6.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.939 -7.593 -6.797 -6.336 -6.111 -6.066 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-8.848 -7.478 -6.666 -6.188 -5.942 -5.871 -5.941 -6.131 -6.427 -6.824 -7.321 -7.927 -8.659 -9.562 -10.797 -11.769 -12.170 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.840 -7.466 -6.650 -6.170 -5.921 -5.846 -5.912 -6.096 -6.385 -6.772 -7.254 -7.838 -8.535 -9.380 -10.501 -11.622 -12.010 -12.460 -13.178 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.833 -7.454 -6.635 -6.152 -5.900 -5.823 -5.884 -6.063 -6.345 -6.722 -7.191 -7.754 -8.420 -9.213 -10.235 -11.445 -11.829 -12.238 -12.710 -13.343 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.827 -7.442 -6.621 -6.135 -5.881 -5.800 -5.857 -6.030 -6.305 -6.674 -7.130 -7.675 -8.312 -9.060 -9.996 -11.271 -11.644 -12.036 -12.458 -12.937 -13.527 -14.301 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.822 -7.432 -6.607 -6.119 -5.862 -5.778 -5.831 -5.999 -6.268 -6.627 -7.072 -7.600 -8.212 -8.920 -9.782 -11.105 -11.465 -11.842 -12.240 -12.669 -13.148 -13.708 -14.386 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.817 -7.422 -6.595 -6.104 -5.844 -5.756 -5.805 -5.968 -6.231 -6.583 -7.017 -7.529 -8.119 -8.793 -9.592 -10.948 -11.297 -11.660 -12.040 -12.442 -12.873 -13.347 -13.881 -14.496 -15.204 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.814 -7.413 -6.582 -6.089 -5.826 -5.735 -5.781 -5.939 -6.195 -6.540 -6.964 -7.462 -8.032 -8.677 -9.423 -10.801 -11.138 -11.488 -11.853 -12.236 -12.639 -13.069 -13.535 -14.046 -14.613 -15.241 -15.927 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.812 -7.405 -6.571 -6.075 -5.809 -5.715 -5.757 -5.910 -6.161 -6.498 -6.913 -7.399 -7.951 -8.571 -9.274 -10.661 -10.988 -11.327 -11.679 -12.045 -12.428 -12.831 -13.258 -13.713 -14.203 -14.731 -15.300 -15.904 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.810 -7.398 -6.560 -6.061 -5.793 -5.696 -5.734 -5.883 -6.128 -6.458 -6.864 -7.338 -7.876 -8.475 -9.142 -10.529 -10.847 -11.175 -11.515 -11.868 -12.235 -12.618 -13.018 -13.438 -13.882 -14.351 -14.847 -15.368 -15.911 -16.468 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.809 -7.391 -6.550 -6.048 -5.777 -5.677 -5.711 -5.856 -6.095 -6.419 -6.816 -7.281 -7.805 -8.386 -9.026 -10.404 -10.712 -11.031 -11.361 -11.702 -12.055 -12.422 -12.802 -13.199 -13.612 -14.043 -14.492 -14.960 -15.442 -15.936 -16.435 99999.999 99999.999 99999.999 99999.999 99999.999 -8.810 -7.385 -6.540 -6.036 -5.762 -5.659 -5.689 -5.830 -6.064 -6.381 -6.771 -7.226 -7.739 -8.305 -8.924 -10.284 -10.585 -10.895 -11.215 -11.545 -11.887 -12.240 -12.605 -12.982 -13.373 -13.778 -14.196 -14.627 -15.069 -15.519 -15.973 -16.426 -16.873 99999.999 99999.999 99999.999 -8.811 -7.379 -6.531 -6.024 -5.747 -5.641 -5.668 -5.804 -6.034 -6.344 -6.727 -7.174 -7.676 -8.230 -8.832 -10.171 -10.464 -10.765 -11.076 -11.397 -11.728 -12.069 -12.421 -12.784 -13.157 -13.542 -13.937 -14.342 -14.755 -15.174 -15.597 -16.018 -16.434 -16.840 99999.999 99999.999 -8.813 -7.374 -6.522 -6.012 -5.733 -5.624 -5.648 -5.780 -6.004 -6.309 -6.685 -7.123 -7.617 -8.160 -8.748 -10.062 -10.348 -10.642 -10.945 -11.257 -11.578 -11.909 -12.249 -12.599 -12.958 -13.327 -13.704 -14.089 -14.481 -14.878 -15.276 -15.675 -16.068 -16.454 -16.827 -17.184 -8.815 -7.370 -6.514 -6.001 -5.720 -5.608 -5.628 -5.756 -5.975 -6.275 -6.644 -7.075 -7.560 -8.093 -8.671 -9.957 -10.237 -10.524 -10.820 -11.123 -11.436 -11.757 -12.087 -12.426 -12.773 -13.128 -13.491 -13.861 -14.236 -14.615 -14.996 -15.376 -15.753 -16.123 -16.483 -16.830 -8.881 -7.357 -6.460 -5.918 -5.609 -5.470 -5.459 -5.552 -5.729 -5.979 -6.292 -6.659 -7.074 -7.529 -8.020 -9.101 -9.333 -9.569 -9.811 -10.057 -10.309 -10.566 -10.828 -11.096 -11.368 -11.645 -11.926 -12.212 -12.502 -12.795 -13.090 -13.388 -13.688 -13.989 -14.289 -14.589 -9.008 -7.392 -6.448 -5.873 -5.538 -5.372 -5.335 -5.397 -5.540 -5.752 -6.021 -6.339 -6.701 -7.099 -7.528 -8.469 -8.669 -8.874 -9.081 -9.293 -9.509 -9.728 -9.951 -10.178 -10.408 -10.642 -10.880 -11.121 -11.365 -11.613 -11.863 -12.117 -12.373 -12.631 -12.892 -13.154 -9.183 -7.464 -6.469 -5.860 -5.497 -5.307 -5.244 -5.280 -5.395 -5.574 -5.807 -6.087 -6.405 -6.758 -7.140 -7.975 -8.153 -8.333 -8.517 -8.704 -8.894 -9.087 -9.283 -9.482 -9.683 -9.888 -10.096 -10.307 -10.520 -10.736 -10.955 -11.177 -11.401 -11.627 -11.856 -12.088 -9.396 -7.568 -6.517 -5.872 -5.481 -5.267 -5.181 -5.193 -5.283 -5.434 -5.637 -5.884 -6.168 -6.483 -6.825 -7.576 -7.736 -7.898 -8.063 -8.231 -8.401 -8.574 -8.750 -8.928 -9.108 -9.291 -9.477 -9.665 -9.855 -10.048 -10.243 -10.441 -10.641 -10.844 -11.048 -11.255 -9.641 -7.696 -6.588 -5.906 -5.486 -5.248 -5.140 -5.130 -5.197 -5.325 -5.502 -5.720 -5.974 -6.258 -6.567 -7.247 -7.392 -7.540 -7.689 -7.842 -7.996 -8.153 -8.313 -8.474 -8.638 -8.804 -8.972 -9.143 -9.315 -9.490 -9.667 -9.846 -10.027 -10.211 -10.396 -10.584 -9.910 -7.845 -6.678 -5.957 -5.509 -5.247 -5.117 -5.087 -5.133 -5.239 -5.393 -5.587 -5.815 -6.071 -6.352 -6.973 -7.105 -7.240 -7.377 -7.517 -7.658 -7.802 -7.948 -8.096 -8.246 -8.399 -8.553 -8.709 -8.867 -9.027 -9.190 -9.354 -9.520 -9.688 -9.858 -10.031 -10.201 -8.012 -6.784 -6.025 -5.547 -5.261 -5.110 -5.060 -5.086 -5.173 -5.307 -5.480 -5.685 -5.917 -6.173 -6.742 -6.863 -6.987 -7.114 -7.242 -7.373 -7.506 -7.640 -7.777 -7.916 -8.056 -8.199 -8.343 -8.490 -8.638 -8.788 -8.940 -9.094 -9.250 -9.408 -9.567 99999.999 -8.192 -6.904 -6.105 -5.598 -5.288 -5.116 -5.047 -5.055 -5.123 -5.239 -5.392 -5.577 -5.788 -6.022 -6.546 -6.658 -6.773 -6.890 -7.009 -7.130 -7.253 -7.378 -7.505 -7.634 -7.765 -7.897 -8.032 -8.168 -8.306 -8.446 -8.588 -8.732 -8.878 -9.025 -9.175 YOH+2 YOH(+2) P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 3 -1.000 1 1.000 50 1.000 2 8.933 7.688 6.667 5.818 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.933 7.688 6.667 5.818 5.103 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.933 7.688 6.667 5.819 5.103 4.492 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.934 7.689 6.668 5.820 5.104 4.493 3.963 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.935 7.690 6.670 5.821 5.105 4.494 3.965 3.501 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.937 7.692 6.672 5.823 5.107 4.496 3.967 3.503 3.092 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.940 7.695 6.675 5.826 5.110 4.499 3.970 3.506 3.095 2.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.945 7.700 6.679 5.830 5.115 4.503 3.974 3.511 3.100 2.730 2.390 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.951 7.706 6.685 5.836 5.120 4.509 3.980 3.517 3.106 2.737 2.398 2.080 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.959 7.714 6.694 5.844 5.128 4.517 3.988 3.525 3.115 2.746 2.408 2.092 1.797 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.969 7.725 6.704 5.855 5.139 4.527 3.998 3.536 3.126 2.758 2.421 2.108 1.814 1.559 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.982 7.739 6.718 5.868 5.152 4.540 4.011 3.549 3.140 2.773 2.438 2.128 1.837 1.571 1.429 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.992 7.749 6.728 5.878 5.162 4.550 4.021 3.559 3.150 2.784 2.451 2.143 1.855 1.588 1.362 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.007 7.764 6.743 5.893 5.176 4.564 4.036 3.574 3.166 2.800 2.469 2.165 1.881 1.615 1.353 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.021 7.779 6.757 5.907 5.190 4.578 4.049 3.588 3.180 2.816 2.487 2.186 1.907 1.646 1.377 4.124 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.034 7.793 6.772 5.921 5.203 4.591 4.063 3.602 3.195 2.832 2.504 2.206 1.931 1.676 1.414 2.342 3.142 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.048 7.808 6.786 5.934 5.217 4.605 4.076 3.616 3.209 2.847 2.521 2.225 1.955 1.706 1.455 1.917 2.221 2.741 3.502 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.061 7.821 6.799 5.948 5.230 4.618 4.090 3.629 3.223 2.861 2.537 2.244 1.978 1.735 1.496 1.727 1.876 2.122 2.500 3.012 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.074 7.835 6.813 5.961 5.243 4.631 4.103 3.642 3.237 2.876 2.553 2.261 1.999 1.762 1.534 1.621 1.700 1.833 2.037 2.327 2.701 3.128 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.087 7.849 6.826 5.974 5.256 4.643 4.115 3.655 3.250 2.890 2.568 2.279 2.019 1.787 1.570 1.556 1.596 1.670 1.788 1.960 2.192 2.480 2.807 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.100 7.862 6.840 5.987 5.268 4.656 4.128 3.668 3.263 2.904 2.583 2.295 2.038 1.810 1.602 1.514 1.529 1.569 1.639 1.744 1.890 2.080 2.310 2.569 2.842 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.112 7.875 6.853 6.000 5.281 4.668 4.140 3.680 3.276 2.917 2.597 2.311 2.056 1.831 1.630 1.486 1.486 1.503 1.542 1.606 1.699 1.825 1.984 2.172 2.384 2.609 2.838 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.124 7.888 6.865 6.012 5.293 4.680 4.152 3.693 3.289 2.930 2.611 2.326 2.073 1.850 1.655 1.468 1.456 1.458 1.476 1.513 1.572 1.655 1.764 1.899 2.057 2.233 2.423 2.619 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.136 7.901 6.878 6.025 5.305 4.692 4.164 3.705 3.301 2.943 2.625 2.340 2.088 1.867 1.676 1.457 1.436 1.427 1.430 1.449 1.484 1.538 1.612 1.707 1.823 1.957 2.107 2.269 2.440 2.615 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.148 7.914 6.891 6.037 5.317 4.704 4.176 3.717 3.313 2.956 2.638 2.355 2.103 1.883 1.694 1.451 1.423 1.406 1.398 1.403 1.422 1.455 1.504 1.570 1.653 1.754 1.870 1.999 2.140 2.289 2.446 99999.999 99999.999 99999.999 99999.999 99999.999 9.160 7.926 6.903 6.049 5.329 4.716 4.188 3.728 3.325 2.968 2.651 2.368 2.117 1.898 1.709 1.448 1.416 1.391 1.376 1.371 1.376 1.394 1.425 1.470 1.529 1.603 1.691 1.792 1.905 2.029 2.161 2.301 2.447 99999.999 99999.999 99999.999 9.171 7.938 6.915 6.061 5.341 4.727 4.199 3.740 3.337 2.981 2.664 2.381 2.131 1.911 1.722 1.448 1.412 1.382 1.360 1.347 1.343 1.349 1.366 1.395 1.436 1.489 1.554 1.632 1.722 1.822 1.931 2.049 2.175 2.307 99999.999 99999.999 9.183 7.950 6.927 6.073 5.352 4.738 4.210 3.751 3.349 2.993 2.676 2.394 2.144 1.924 1.734 1.450 1.410 1.377 1.350 1.331 1.320 1.317 1.323 1.339 1.365 1.402 1.450 1.509 1.578 1.658 1.747 1.844 1.950 2.064 2.184 2.312 9.194 7.962 6.939 6.084 5.364 4.750 4.221 3.763 3.360 3.004 2.688 2.406 2.156 1.936 1.745 1.454 1.411 1.375 1.344 1.320 1.302 1.292 1.290 1.296 1.311 1.336 1.369 1.412 1.465 1.527 1.599 1.678 1.766 1.862 1.964 2.074 9.297 8.074 7.051 6.194 5.470 4.854 4.325 3.867 3.466 3.113 2.800 2.522 2.274 2.052 1.857 1.534 1.479 1.428 1.381 1.336 1.295 1.256 1.221 1.189 1.161 1.135 1.112 1.093 1.077 1.065 1.055 1.050 1.047 1.048 1.053 1.061 9.388 8.174 7.151 6.292 5.567 4.949 4.418 3.959 3.560 3.208 2.898 2.622 2.377 2.157 1.962 1.633 1.576 1.522 1.471 1.422 1.375 1.331 1.289 1.249 1.211 1.175 1.141 1.109 1.079 1.051 1.024 0.999 0.976 0.954 0.934 0.915 9.470 8.266 7.243 6.382 5.655 5.035 4.503 4.043 3.644 3.293 2.985 2.712 2.468 2.251 2.057 1.729 1.672 1.618 1.565 1.515 1.468 1.422 1.378 1.336 1.296 1.257 1.221 1.185 1.151 1.119 1.087 1.057 1.028 1.000 0.973 0.947 9.543 8.350 7.328 6.466 5.736 5.114 4.581 4.120 3.720 3.371 3.063 2.792 2.550 2.335 2.144 1.819 1.762 1.707 1.655 1.606 1.558 1.512 1.468 1.426 1.385 1.346 1.309 1.273 1.238 1.204 1.172 1.141 1.110 1.081 1.052 1.024 9.610 8.428 7.408 6.544 5.812 5.189 4.653 4.192 3.791 3.442 3.135 2.864 2.625 2.412 2.222 1.900 1.844 1.790 1.739 1.690 1.642 1.597 1.553 1.511 1.471 1.432 1.395 1.359 1.325 1.291 1.259 1.228 1.197 1.168 1.139 1.111 9.673 8.501 7.483 6.618 5.885 5.259 4.722 4.259 3.857 3.508 3.201 2.931 2.693 2.482 2.294 1.975 1.920 1.867 1.816 1.767 1.720 1.675 1.632 1.591 1.551 1.513 1.477 1.441 1.407 1.374 1.342 1.311 1.282 1.253 1.224 1.197 9.731 8.571 7.554 6.688 5.953 5.325 4.787 4.323 3.920 3.570 3.263 2.994 2.756 2.546 2.359 2.044 1.989 1.937 1.887 1.838 1.792 1.748 1.706 1.665 1.626 1.588 1.552 1.517 1.484 1.451 1.420 1.390 1.361 1.332 1.305 1.278 99999.999 8.638 7.622 6.756 6.018 5.389 4.849 4.383 3.980 3.628 3.322 3.052 2.815 2.606 2.420 2.108 2.054 2.002 1.952 1.904 1.859 1.815 1.773 1.733 1.695 1.658 1.622 1.588 1.555 1.523 1.493 1.463 1.434 1.407 1.380 1.354 YO+ YO(+1) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 3 -2.000 1 1.000 50 1.000 2 18.793 16.410 14.487 12.905 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.793 16.410 14.487 12.905 11.584 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.794 16.411 14.488 12.906 11.585 10.466 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.795 16.412 14.489 12.907 11.586 10.467 9.507 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.796 16.413 14.490 12.908 11.587 10.468 9.509 8.676 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.799 16.416 14.493 12.911 11.589 10.471 9.511 8.678 7.946 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.802 16.419 14.496 12.914 11.593 10.474 9.515 8.682 7.950 7.297 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.807 16.425 14.501 12.919 11.598 10.480 9.521 8.688 7.957 7.304 6.709 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.814 16.432 14.508 12.926 11.605 10.487 9.528 8.696 7.965 7.314 6.721 6.169 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.823 16.441 14.518 12.936 11.614 10.496 9.538 8.707 7.977 7.326 6.736 6.188 5.674 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.835 16.453 14.530 12.948 11.627 10.509 9.551 8.720 7.992 7.343 6.756 6.212 5.702 5.248 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.850 16.469 14.546 12.963 11.642 10.525 9.567 8.738 8.010 7.364 6.780 6.242 5.739 5.273 4.969 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.862 16.481 14.557 12.975 11.654 10.537 9.580 8.751 8.025 7.380 6.799 6.265 5.768 5.301 4.884 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.879 16.498 14.574 12.992 11.671 10.554 9.598 8.770 8.045 7.403 6.825 6.298 5.808 5.348 4.885 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.895 16.515 14.591 13.008 11.687 10.570 9.615 8.788 8.065 7.424 6.850 6.329 5.848 5.398 4.932 8.734 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.911 16.531 14.607 13.024 11.703 10.587 9.632 8.806 8.084 7.446 6.875 6.359 5.886 5.447 4.996 6.235 7.338 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.926 16.548 14.624 13.040 11.719 10.603 9.649 8.824 8.103 7.466 6.899 6.387 5.923 5.495 5.063 5.638 6.048 6.758 7.789 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.942 16.564 14.639 13.056 11.735 10.619 9.665 8.841 8.121 7.487 6.922 6.415 5.958 5.541 5.130 5.375 5.566 5.895 6.404 7.094 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.957 16.579 14.655 13.072 11.750 10.635 9.681 8.858 8.139 7.506 6.944 6.441 5.990 5.583 5.193 5.230 5.323 5.492 5.762 6.150 6.650 7.212 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.972 16.595 14.671 13.087 11.766 10.650 9.697 8.874 8.157 7.526 6.966 6.466 6.021 5.622 5.250 5.143 5.182 5.269 5.419 5.643 5.950 6.331 6.760 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.986 16.610 14.686 13.102 11.781 10.665 9.713 8.891 8.174 7.544 6.986 6.490 6.050 5.658 5.302 5.089 5.093 5.133 5.214 5.346 5.535 5.783 6.085 6.424 6.776 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.001 16.625 14.701 13.117 11.796 10.680 9.728 8.907 8.191 7.563 7.007 6.513 6.077 5.691 5.347 5.054 5.037 5.045 5.083 5.158 5.274 5.435 5.641 5.886 6.161 6.451 6.744 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.015 16.640 14.716 13.132 11.810 10.695 9.743 8.922 8.208 7.581 7.026 6.535 6.102 5.721 5.387 5.033 5.000 4.986 4.997 5.034 5.102 5.205 5.342 5.515 5.719 5.948 6.192 6.444 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.029 16.655 14.730 13.146 11.824 10.709 9.758 8.938 8.224 7.598 7.045 6.556 6.125 5.748 5.420 5.022 4.976 4.948 4.938 4.949 4.985 5.047 5.137 5.256 5.404 5.576 5.770 5.979 6.198 6.423 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.042 16.669 14.745 13.160 11.839 10.723 9.772 8.953 8.240 7.615 7.064 6.577 6.147 5.772 5.449 5.017 4.962 4.922 4.898 4.891 4.903 4.936 4.992 5.072 5.176 5.303 5.452 5.618 5.800 5.992 6.194 99999.999 99999.999 99999.999 99999.999 99999.999 19.056 16.683 14.759 13.174 11.853 10.738 9.787 8.968 8.256 7.632 7.082 6.596 6.168 5.795 5.473 5.017 4.955 4.906 4.871 4.850 4.845 4.857 4.888 4.938 5.009 5.101 5.212 5.341 5.487 5.646 5.817 5.999 6.189 99999.999 99999.999 99999.999 19.069 16.697 14.773 13.188 11.866 10.751 9.801 8.983 8.272 7.649 7.100 6.615 6.188 5.815 5.494 5.020 4.953 4.898 4.854 4.822 4.804 4.800 4.812 4.840 4.886 4.949 5.030 5.128 5.242 5.371 5.512 5.666 5.830 6.004 99999.999 99999.999 19.082 16.711 14.787 13.202 11.880 10.765 9.815 8.997 8.287 7.665 7.117 6.633 6.207 5.834 5.513 5.026 4.956 4.894 4.843 4.804 4.775 4.759 4.757 4.768 4.794 4.836 4.892 4.964 5.052 5.153 5.268 5.395 5.533 5.682 5.841 6.011 19.095 16.725 14.800 13.215 11.894 10.779 9.829 9.012 8.302 7.681 7.134 6.651 6.225 5.853 5.530 5.035 4.961 4.895 4.839 4.792 4.756 4.730 4.716 4.714 4.725 4.749 4.787 4.838 4.903 4.981 5.071 5.174 5.289 5.415 5.551 5.697 19.215 16.853 14.929 13.343 12.020 10.905 9.957 9.144 8.440 7.826 7.288 6.814 6.396 6.026 5.702 5.172 5.084 5.001 4.923 4.851 4.783 4.721 4.664 4.611 4.564 4.521 4.483 4.451 4.423 4.400 4.383 4.370 4.363 4.361 4.364 4.373 19.320 16.968 15.045 13.457 12.133 11.018 10.071 9.260 8.560 7.953 7.421 6.954 6.543 6.180 5.860 5.330 5.240 5.154 5.073 4.996 4.923 4.854 4.789 4.727 4.669 4.614 4.563 4.514 4.468 4.426 4.386 4.349 4.314 4.282 4.253 4.226 19.413 17.072 15.151 13.562 12.237 11.121 10.174 9.365 8.668 8.064 7.538 7.077 6.672 6.315 6.001 5.479 5.389 5.304 5.223 5.146 5.073 5.003 4.937 4.874 4.814 4.757 4.703 4.651 4.602 4.555 4.510 4.467 4.426 4.387 4.350 4.314 19.497 17.168 15.248 13.659 12.333 11.216 10.269 9.460 8.765 8.164 7.642 7.187 6.787 6.436 6.126 5.614 5.526 5.442 5.363 5.287 5.215 5.146 5.081 5.019 4.960 4.903 4.849 4.798 4.748 4.701 4.656 4.613 4.571 4.531 4.493 4.455 19.574 17.257 15.339 13.750 12.423 11.305 10.357 9.549 8.855 8.256 7.737 7.285 6.890 6.544 6.239 5.736 5.650 5.568 5.490 5.416 5.346 5.279 5.215 5.154 5.096 5.041 4.988 4.938 4.890 4.844 4.800 4.758 4.717 4.678 4.641 4.604 19.646 17.341 15.425 13.835 12.507 11.388 10.440 9.631 8.938 8.341 7.824 7.375 6.984 6.641 6.341 5.847 5.762 5.682 5.606 5.534 5.465 5.399 5.337 5.278 5.222 5.168 5.117 5.068 5.022 4.977 4.935 4.894 4.855 4.818 4.782 4.747 19.713 17.421 15.507 13.916 12.587 11.467 10.518 9.709 9.016 8.420 7.904 7.458 7.069 6.731 6.434 5.948 5.865 5.786 5.712 5.641 5.574 5.510 5.449 5.391 5.337 5.284 5.235 5.188 5.143 5.100 5.059 5.020 4.983 4.947 4.912 4.879 99999.999 17.497 15.584 13.993 12.663 11.542 10.593 9.783 9.090 8.494 7.980 7.535 7.149 6.813 6.520 6.040 5.959 5.881 5.808 5.739 5.673 5.610 5.551 5.495 5.442 5.391 5.343 5.297 5.254 5.212 5.173 5.135 5.099 5.065 5.032 5.001 HYO2,aq HYO2(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 3.000 Ref: Shock07 3 -3.000 1 1.000 50 2.000 2 29.663 26.004 23.083 20.706 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.663 26.004 23.083 20.706 18.743 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.663 26.004 23.083 20.706 18.743 17.101 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.664 26.005 23.084 20.707 18.744 17.102 15.712 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.665 26.006 23.085 20.708 18.745 17.103 15.714 14.524 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.667 26.008 23.088 20.711 18.748 17.106 15.716 14.527 13.497 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.670 26.012 23.091 20.714 18.751 17.109 15.720 14.531 13.502 12.598 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.674 26.016 23.095 20.719 18.756 17.114 15.726 14.537 13.509 12.606 11.798 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.680 26.022 23.102 20.725 18.762 17.121 15.733 14.545 13.518 12.617 11.811 11.072 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.687 26.030 23.110 20.734 18.771 17.130 15.743 14.556 13.530 12.631 11.828 11.094 10.413 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.697 26.041 23.121 20.745 18.782 17.142 15.755 14.570 13.545 12.649 11.850 11.122 10.447 9.843 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.708 26.054 23.135 20.759 18.797 17.157 15.771 14.587 13.565 12.671 11.877 11.157 10.492 9.878 9.444 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.718 26.064 23.145 20.769 18.808 17.168 15.783 14.601 13.580 12.688 11.898 11.184 10.527 9.915 9.353 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.730 26.079 23.160 20.784 18.823 17.184 15.800 14.619 13.600 12.712 11.927 11.221 10.576 9.974 9.365 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.742 26.092 23.174 20.799 18.838 17.200 15.817 14.637 13.620 12.735 11.955 11.257 10.624 10.036 9.431 13.835 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.754 26.106 23.188 20.813 18.853 17.215 15.833 14.655 13.640 12.757 11.981 11.291 10.669 10.097 9.513 10.948 12.217 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.766 26.119 23.202 20.827 18.867 17.230 15.849 14.672 13.659 12.779 12.007 11.323 10.712 10.156 9.600 10.255 10.726 11.541 12.711 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.777 26.132 23.215 20.841 18.881 17.245 15.864 14.689 13.677 12.800 12.032 11.354 10.752 10.211 9.684 9.950 10.168 10.545 11.129 11.912 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.788 26.145 23.228 20.854 18.894 17.259 15.879 14.705 13.695 12.820 12.055 11.383 10.790 10.262 9.762 9.783 9.887 10.080 10.390 10.834 11.401 12.031 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.799 26.157 23.241 20.867 18.908 17.273 15.894 14.721 13.713 12.840 12.078 11.411 10.825 10.309 9.833 9.683 9.724 9.823 9.994 10.252 10.603 11.036 11.519 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.809 26.169 23.254 20.880 18.921 17.286 15.908 14.736 13.730 12.859 12.100 11.437 10.858 10.351 9.896 9.620 9.622 9.665 9.758 9.910 10.127 10.413 10.757 11.140 11.533 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.819 26.180 23.266 20.892 18.933 17.299 15.922 14.751 13.746 12.877 12.121 11.462 10.888 10.390 9.951 9.581 9.557 9.564 9.608 9.694 9.828 10.014 10.251 10.533 10.846 11.173 11.500 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.828 26.192 23.278 20.904 18.946 17.312 15.936 14.766 13.762 12.895 12.142 11.486 10.916 10.424 9.998 9.557 9.515 9.497 9.508 9.552 9.631 9.751 9.911 10.112 10.347 10.609 10.888 11.173 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.838 26.203 23.289 20.916 18.958 17.325 15.949 14.780 13.778 12.913 12.161 11.508 10.942 10.454 10.038 9.543 9.488 9.453 9.441 9.455 9.497 9.570 9.677 9.817 9.989 10.190 10.414 10.655 10.907 11.164 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.847 26.214 23.301 20.928 18.970 17.337 15.962 14.794 13.793 12.930 12.180 11.529 10.966 10.482 10.072 9.537 9.472 9.424 9.395 9.387 9.403 9.444 9.511 9.607 9.730 9.881 10.055 10.251 10.463 10.687 10.921 99999.999 99999.999 99999.999 99999.999 99999.999 29.856 26.224 23.312 20.939 18.982 17.349 15.975 14.808 13.808 12.946 12.199 11.550 10.988 10.506 10.100 9.537 9.464 9.406 9.364 9.341 9.337 9.353 9.392 9.455 9.541 9.651 9.784 9.938 10.111 10.300 10.502 10.716 10.941 99999.999 99999.999 99999.999 29.864 26.235 23.323 20.951 18.993 17.361 15.988 14.821 13.823 12.962 12.216 11.569 11.009 10.529 10.123 9.540 9.461 9.396 9.345 9.309 9.290 9.289 9.306 9.343 9.401 9.479 9.578 9.698 9.835 9.990 10.160 10.345 10.541 10.750 99999.999 99999.999 29.872 26.245 23.334 20.962 19.005 17.373 16.000 14.835 13.837 12.978 12.234 11.588 11.029 10.549 10.143 9.547 9.463 9.392 9.333 9.288 9.257 9.242 9.243 9.261 9.296 9.350 9.422 9.512 9.620 9.744 9.885 10.040 10.209 10.390 10.585 10.791 29.880 26.255 23.344 20.972 19.016 17.384 16.012 14.847 13.851 12.993 12.250 11.606 11.048 10.569 10.162 9.556 9.469 9.392 9.327 9.275 9.235 9.209 9.197 9.200 9.218 9.252 9.302 9.369 9.451 9.550 9.664 9.792 9.934 10.090 10.258 10.439 29.949 26.343 23.438 21.070 19.115 17.487 16.120 14.962 13.976 13.129 12.399 11.768 11.221 10.749 10.343 9.705 9.602 9.506 9.418 9.338 9.264 9.197 9.137 9.083 9.035 8.995 8.960 8.932 8.911 8.895 8.887 8.885 8.889 8.900 8.918 8.942 29.998 26.413 23.516 21.151 19.199 17.573 16.209 15.057 14.078 13.240 12.521 11.901 11.365 10.902 10.504 9.870 9.766 9.669 9.578 9.493 9.414 9.340 9.272 9.209 9.151 9.097 9.048 9.003 8.962 8.925 8.892 8.863 8.837 8.814 8.795 8.779 30.034 26.471 23.582 21.219 19.270 17.646 16.286 15.137 14.163 13.333 12.622 12.011 11.485 11.032 10.642 10.021 9.919 9.823 9.733 9.650 9.571 9.498 9.430 9.366 9.307 9.251 9.200 9.152 9.108 9.067 9.029 8.994 8.962 8.932 8.905 8.879 30.057 26.518 23.637 21.278 19.331 17.710 16.351 15.207 14.237 13.412 12.708 12.104 11.587 11.142 10.760 10.154 10.055 9.962 9.874 9.793 9.716 9.645 9.579 9.517 9.459 9.405 9.355 9.308 9.265 9.225 9.187 9.153 9.120 9.090 9.062 9.036 30.073 26.557 23.684 21.330 19.384 17.765 16.409 15.267 14.301 13.480 12.781 12.184 11.674 11.237 10.862 10.271 10.174 10.084 9.999 9.920 9.846 9.778 9.714 9.654 9.598 9.547 9.499 9.454 9.413 9.375 9.340 9.307 9.276 9.248 9.222 9.198 30.081 26.589 23.725 21.374 19.431 17.814 16.460 15.320 14.357 13.540 12.845 12.254 11.749 11.319 10.951 10.373 10.279 10.191 10.109 10.033 9.961 9.895 9.834 9.776 9.723 9.674 9.629 9.587 9.548 9.512 9.479 9.449 9.421 9.395 9.371 9.350 30.084 26.617 23.760 21.414 19.473 17.858 16.505 15.367 14.407 13.593 12.902 12.315 11.815 11.390 11.029 10.463 10.372 10.286 10.206 10.132 10.063 9.999 9.940 9.885 9.835 9.788 9.745 9.705 9.668 9.635 9.604 9.576 9.551 9.527 9.506 9.487 99999.999 26.640 23.791 21.448 19.511 17.897 16.546 15.410 14.451 13.640 12.952 12.369 11.874 11.453 11.097 10.543 10.453 10.370 10.292 10.220 10.154 10.092 10.035 9.982 9.933 9.889 9.848 9.810 9.776 9.745 9.716 9.690 9.667 9.646 9.627 9.610 YO2- YO2(-2) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 4.000 Ref: Shock07 3 -4.000 1 1.000 50 2.000 2 40.865 36.486 32.928 29.988 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.865 36.486 32.928 29.988 27.526 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.865 36.486 32.928 29.988 27.526 25.442 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.866 36.487 32.929 29.989 27.527 25.442 23.662 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.867 36.488 32.930 29.990 27.528 25.444 23.663 22.129 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.868 36.490 32.932 29.991 27.529 25.445 23.664 22.130 20.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.871 36.492 32.934 29.994 27.532 25.448 23.667 22.133 20.803 19.644 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.874 36.496 32.938 29.998 27.536 25.451 23.671 22.137 20.807 19.647 18.631 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.878 36.501 32.943 30.003 27.541 25.456 23.676 22.142 20.812 19.653 18.636 17.746 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.884 36.508 32.950 30.010 27.547 25.463 23.682 22.148 20.819 19.660 18.644 17.752 16.991 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.892 36.516 32.959 30.018 27.556 25.472 23.691 22.157 20.828 19.669 18.653 17.761 16.993 16.414 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.901 36.527 32.970 30.029 27.567 25.482 23.702 22.168 20.839 19.680 18.665 17.774 17.002 16.378 16.188 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.908 36.536 32.979 30.038 27.575 25.491 23.710 22.176 20.847 19.689 18.674 17.784 17.010 16.369 15.967 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.918 36.547 32.990 30.050 27.587 25.502 23.721 22.188 20.859 19.701 18.688 17.799 17.025 16.370 15.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.928 36.559 33.002 30.061 27.598 25.513 23.733 22.199 20.871 19.713 18.701 17.814 17.041 16.380 15.817 21.560 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.937 36.570 33.013 30.072 27.609 25.524 23.744 22.211 20.882 19.725 18.713 17.828 17.057 16.396 15.818 17.637 19.397 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.946 36.580 33.024 30.083 27.620 25.535 23.754 22.221 20.893 19.736 18.725 17.842 17.074 16.414 15.835 16.652 17.326 18.488 20.219 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.955 36.591 33.035 30.094 27.630 25.545 23.765 22.232 20.904 19.747 18.737 17.855 17.089 16.432 15.859 16.180 16.512 17.067 17.922 19.100 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.964 36.601 33.046 30.104 27.641 25.555 23.775 22.242 20.914 19.758 18.749 17.868 17.104 16.450 15.884 15.897 16.070 16.371 16.838 17.505 18.377 19.395 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.972 36.611 33.056 30.115 27.651 25.565 23.785 22.252 20.925 19.769 18.760 17.880 17.118 16.466 15.908 15.707 15.791 15.959 16.230 16.629 17.170 17.850 18.636 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.980 36.621 33.066 30.125 27.660 25.575 23.794 22.262 20.935 19.779 18.771 17.892 17.131 16.481 15.929 15.570 15.598 15.686 15.845 16.091 16.436 16.885 17.435 18.064 18.738 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.987 36.630 33.076 30.134 27.670 25.585 23.804 22.272 20.944 19.789 18.781 17.903 17.142 16.494 15.947 15.468 15.457 15.492 15.581 15.732 15.954 16.254 16.636 17.092 17.609 18.167 18.743 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.995 36.639 33.085 30.144 27.679 25.594 23.813 22.281 20.954 19.799 18.791 17.913 17.153 16.504 15.961 15.389 15.350 15.348 15.388 15.476 15.618 15.819 16.083 16.411 16.798 17.233 17.704 18.195 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.002 36.648 33.095 30.153 27.689 25.603 23.822 22.290 20.963 19.808 18.801 17.923 17.163 16.513 15.970 15.327 15.267 15.238 15.243 15.286 15.372 15.504 15.687 15.921 16.207 16.540 16.912 17.316 17.741 18.178 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.009 36.657 33.104 30.162 27.698 25.612 23.831 22.299 20.972 19.818 18.810 17.932 17.171 16.521 15.977 15.278 15.201 15.151 15.130 15.140 15.185 15.268 15.392 15.558 15.767 16.019 16.309 16.632 16.983 17.355 17.741 99999.999 99999.999 99999.999 99999.999 99999.999 41.016 36.665 33.113 30.171 27.706 25.620 23.840 22.308 20.981 19.827 18.819 17.941 17.179 16.527 15.980 15.237 15.148 15.082 15.040 15.025 15.040 15.086 15.166 15.281 15.432 15.620 15.843 16.099 16.383 16.692 17.020 17.364 17.719 99999.999 99999.999 99999.999 41.022 36.674 33.121 30.180 27.715 25.629 23.848 22.316 20.990 19.835 18.828 17.949 17.186 16.531 15.981 15.205 15.105 15.025 14.968 14.933 14.924 14.942 14.988 15.064 15.171 15.310 15.479 15.679 15.907 16.159 16.433 16.725 17.033 17.353 99999.999 99999.999 41.028 36.682 33.130 30.188 27.723 25.637 23.856 22.324 20.998 19.844 18.836 17.957 17.193 16.536 15.980 15.178 15.069 14.979 14.908 14.859 14.831 14.826 14.846 14.892 14.964 15.064 15.191 15.345 15.525 15.728 15.954 16.199 16.461 16.738 17.027 17.328 41.034 36.690 33.138 30.197 27.732 25.645 23.864 22.333 21.006 19.852 18.845 17.965 17.199 16.540 15.980 15.156 15.039 14.940 14.859 14.797 14.754 14.732 14.731 14.752 14.797 14.866 14.958 15.075 15.215 15.378 15.562 15.765 15.986 16.222 16.472 16.735 41.085 36.759 33.213 30.271 27.805 25.718 23.936 22.405 21.080 19.927 18.920 18.038 17.266 16.591 16.005 15.071 14.919 14.778 14.648 14.528 14.419 14.321 14.232 14.154 14.086 14.028 13.979 13.941 13.912 13.893 13.883 13.883 13.893 13.911 13.938 13.974 41.121 36.814 33.273 30.333 27.866 25.778 23.996 22.465 21.140 19.989 18.983 18.102 17.328 16.649 16.053 15.081 14.918 14.764 14.619 14.483 14.355 14.236 14.124 14.021 13.924 13.834 13.752 13.676 13.606 13.543 13.485 13.434 13.388 13.347 13.312 13.282 41.145 36.859 33.323 30.384 27.918 25.829 24.046 22.514 21.190 20.040 19.036 18.156 17.382 16.702 16.104 15.116 14.948 14.789 14.638 14.496 14.361 14.233 14.113 13.999 13.892 13.791 13.696 13.607 13.523 13.444 13.370 13.300 13.235 13.175 13.118 13.066 41.159 36.894 33.365 30.428 27.961 25.872 24.089 22.557 21.233 20.083 19.080 18.201 17.429 16.749 16.150 15.157 14.988 14.826 14.673 14.527 14.389 14.258 14.134 14.016 13.904 13.798 13.698 13.602 13.512 13.427 13.346 13.269 13.197 13.128 13.063 13.002 41.167 36.923 33.401 30.466 27.999 25.909 24.126 22.593 21.270 20.120 19.118 18.240 17.470 16.791 16.192 15.198 15.028 14.865 14.711 14.564 14.424 14.292 14.166 14.046 13.932 13.824 13.721 13.623 13.530 13.442 13.358 13.278 13.202 13.130 13.061 12.996 41.168 36.947 33.431 30.498 28.032 25.942 24.158 22.625 21.301 20.152 19.151 18.274 17.505 16.827 16.230 15.236 15.065 14.903 14.748 14.601 14.461 14.327 14.201 14.080 13.965 13.856 13.752 13.653 13.559 13.469 13.384 13.303 13.225 13.152 13.082 13.015 41.165 36.966 33.457 30.527 28.061 25.971 24.187 22.654 21.330 20.180 19.179 18.303 17.535 16.859 16.262 15.271 15.100 14.937 14.783 14.636 14.495 14.362 14.235 14.114 13.999 13.889 13.785 13.685 13.591 13.501 13.415 13.333 13.255 13.181 13.110 13.043 99999.999 36.982 33.480 30.552 28.087 25.997 24.212 22.679 21.355 20.205 19.204 18.329 17.561 16.886 16.291 15.301 15.131 14.969 14.814 14.667 14.527 14.394 14.267 14.146 14.031 13.921 13.817 13.718 13.623 13.533 13.447 13.365 13.287 13.213 13.142 13.074 Y(Ac)+2 YCH3COO+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 2 1.000 35 1.000 50 -2.985 -2.639 -2.452 -2.360 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.985 -2.639 -2.452 -2.360 -2.335 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.985 -2.639 -2.452 -2.360 -2.335 -2.360 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.986 -2.639 -2.452 -2.360 -2.335 -2.360 -2.427 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.986 -2.639 -2.452 -2.360 -2.334 -2.359 -2.426 -2.530 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.986 -2.639 -2.452 -2.360 -2.334 -2.359 -2.425 -2.529 -2.668 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.987 -2.640 -2.452 -2.360 -2.334 -2.358 -2.424 -2.528 -2.666 -2.842 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.988 -2.640 -2.453 -2.360 -2.333 -2.357 -2.423 -2.525 -2.662 -2.837 -3.055 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.989 -2.641 -2.453 -2.360 -2.333 -2.356 -2.420 -2.522 -2.658 -2.830 -3.045 -3.315 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.990 -2.642 -2.453 -2.360 -2.332 -2.354 -2.417 -2.517 -2.651 -2.821 -3.032 -3.295 -3.633 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.993 -2.644 -2.454 -2.359 -2.331 -2.352 -2.414 -2.512 -2.644 -2.810 -3.015 -3.271 -3.594 -4.023 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.996 -2.646 -2.455 -2.359 -2.329 -2.349 -2.409 -2.505 -2.634 -2.796 -2.995 -3.240 -3.546 -3.946 -4.541 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.999 -2.647 -2.456 -2.360 -2.328 -2.347 -2.406 -2.500 -2.627 -2.785 -2.980 -3.218 -3.512 -3.890 -4.446 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.003 -2.650 -2.458 -2.360 -2.327 -2.344 -2.401 -2.493 -2.617 -2.771 -2.960 -3.188 -3.465 -3.816 -4.319 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.008 -2.653 -2.459 -2.360 -2.327 -2.342 -2.397 -2.486 -2.607 -2.758 -2.941 -3.159 -3.423 -3.749 -4.204 -4.516 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.013 -2.657 -2.461 -2.361 -2.326 -2.340 -2.393 -2.480 -2.598 -2.745 -2.923 -3.133 -3.383 -3.688 -4.101 -4.457 -4.612 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.018 -2.660 -2.464 -2.362 -2.326 -2.338 -2.389 -2.474 -2.590 -2.733 -2.905 -3.108 -3.347 -3.632 -4.007 -4.401 -4.539 -4.703 -4.963 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.023 -2.664 -2.466 -2.363 -2.325 -2.336 -2.386 -2.469 -2.582 -2.722 -2.889 -3.085 -3.313 -3.581 -3.924 -4.342 -4.474 -4.618 -4.785 -5.009 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.029 -2.668 -2.469 -2.365 -2.326 -2.335 -2.383 -2.464 -2.574 -2.711 -2.874 -3.064 -3.282 -3.535 -3.849 -4.285 -4.412 -4.547 -4.693 -4.860 -5.067 -5.336 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.035 -2.672 -2.471 -2.366 -2.326 -2.334 -2.380 -2.459 -2.567 -2.701 -2.860 -3.044 -3.254 -3.494 -3.783 -4.232 -4.354 -4.482 -4.618 -4.766 -4.932 -5.126 -5.360 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.042 -2.676 -2.474 -2.368 -2.326 -2.333 -2.377 -2.454 -2.560 -2.691 -2.846 -3.025 -3.227 -3.456 -3.724 -4.183 -4.300 -4.423 -4.552 -4.689 -4.836 -4.999 -5.183 -5.394 -5.637 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.048 -2.681 -2.477 -2.370 -2.327 -2.332 -2.375 -2.450 -2.553 -2.681 -2.833 -3.007 -3.203 -3.422 -3.672 -4.137 -4.250 -4.368 -4.491 -4.620 -4.757 -4.903 -5.062 -5.237 -5.431 -5.646 -5.880 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.055 -2.686 -2.481 -2.372 -2.327 -2.331 -2.373 -2.446 -2.547 -2.673 -2.821 -2.991 -3.181 -3.391 -3.627 -4.093 -4.203 -4.317 -4.435 -4.558 -4.687 -4.824 -4.968 -5.123 -5.290 -5.470 -5.664 -5.870 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.062 -2.690 -2.484 -2.374 -2.328 -2.330 -2.371 -2.442 -2.541 -2.664 -2.810 -2.975 -3.160 -3.363 -3.588 -4.053 -4.159 -4.269 -4.383 -4.501 -4.624 -4.753 -4.888 -5.030 -5.180 -5.340 -5.508 -5.685 -5.870 -6.059 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.069 -2.696 -2.488 -2.376 -2.329 -2.330 -2.369 -2.438 -2.535 -2.656 -2.799 -2.961 -3.141 -3.338 -3.553 -4.015 -4.118 -4.224 -4.334 -4.448 -4.566 -4.689 -4.817 -4.950 -5.090 -5.235 -5.387 -5.545 -5.709 -5.877 -6.046 99999.999 99999.999 99999.999 99999.999 99999.999 -3.077 -2.701 -2.491 -2.378 -2.330 -2.330 -2.367 -2.435 -2.530 -2.648 -2.788 -2.947 -3.123 -3.315 -3.523 -3.978 -4.078 -4.182 -4.288 -4.399 -4.513 -4.631 -4.753 -4.879 -5.010 -5.146 -5.287 -5.432 -5.582 -5.734 -5.888 -6.041 -6.193 99999.999 99999.999 99999.999 -3.085 -2.706 -2.495 -2.381 -2.332 -2.330 -2.366 -2.432 -2.525 -2.641 -2.778 -2.934 -3.107 -3.294 -3.497 -3.944 -4.041 -4.142 -4.245 -4.352 -4.462 -4.576 -4.693 -4.815 -4.940 -5.068 -5.201 -5.337 -5.476 -5.617 -5.759 -5.902 -6.042 -6.180 99999.999 99999.999 -3.093 -2.712 -2.499 -2.384 -2.333 -2.330 -2.364 -2.429 -2.520 -2.634 -2.769 -2.922 -3.091 -3.275 -3.473 -3.911 -4.006 -4.104 -4.205 -4.309 -4.415 -4.525 -4.638 -4.755 -4.875 -4.998 -5.124 -5.253 -5.384 -5.517 -5.651 -5.785 -5.918 -6.048 -6.174 -6.295 -3.101 -2.717 -2.503 -2.386 -2.335 -2.330 -2.363 -2.426 -2.515 -2.627 -2.760 -2.910 -3.076 -3.257 -3.451 -3.880 -3.973 -4.068 -4.166 -4.267 -4.371 -4.477 -4.587 -4.699 -4.815 -4.933 -5.054 -5.177 -5.303 -5.429 -5.557 -5.684 -5.811 -5.935 -6.056 -6.173 -3.194 -2.783 -2.552 -2.421 -2.357 -2.341 -2.360 -2.409 -2.482 -2.575 -2.687 -2.815 -2.956 -3.109 -3.273 -3.630 -3.707 -3.784 -3.864 -3.945 -4.027 -4.112 -4.197 -4.285 -4.374 -4.465 -4.557 -4.651 -4.745 -4.841 -4.938 -5.036 -5.134 -5.232 -5.331 -5.429 -3.303 -2.861 -2.611 -2.466 -2.390 -2.362 -2.370 -2.406 -2.465 -2.544 -2.639 -2.749 -2.871 -3.004 -3.146 -3.454 -3.520 -3.586 -3.654 -3.723 -3.793 -3.864 -3.936 -4.010 -4.085 -4.160 -4.237 -4.316 -4.395 -4.475 -4.556 -4.638 -4.721 -4.804 -4.889 -4.974 -3.426 -2.948 -2.678 -2.519 -2.430 -2.391 -2.388 -2.413 -2.461 -2.527 -2.609 -2.704 -2.810 -2.927 -3.051 -3.323 -3.380 -3.438 -3.498 -3.558 -3.619 -3.681 -3.744 -3.808 -3.873 -3.938 -4.005 -4.073 -4.141 -4.211 -4.281 -4.352 -4.424 -4.496 -4.570 -4.644 -3.559 -3.044 -2.753 -2.579 -2.478 -2.427 -2.414 -2.429 -2.466 -2.521 -2.591 -2.674 -2.767 -2.870 -2.981 -3.222 -3.273 -3.324 -3.377 -3.430 -3.485 -3.540 -3.596 -3.652 -3.710 -3.768 -3.827 -3.887 -3.947 -4.009 -4.071 -4.133 -4.197 -4.261 -4.326 -4.392 -3.701 -3.147 -2.834 -2.644 -2.530 -2.469 -2.446 -2.452 -2.479 -2.524 -2.584 -2.656 -2.738 -2.829 -2.927 -3.143 -3.188 -3.235 -3.282 -3.330 -3.379 -3.428 -3.479 -3.529 -3.581 -3.633 -3.686 -3.740 -3.794 -3.849 -3.905 -3.961 -4.018 -4.076 -4.134 -4.194 -3.850 -3.255 -2.919 -2.714 -2.588 -2.516 -2.483 -2.480 -2.498 -2.535 -2.585 -2.647 -2.719 -2.800 -2.888 -3.081 -3.122 -3.164 -3.207 -3.251 -3.295 -3.339 -3.385 -3.431 -3.478 -3.525 -3.573 -3.622 -3.671 -3.721 -3.771 -3.822 -3.874 -3.927 -3.980 -4.034 -4.004 -3.367 -3.009 -2.788 -2.649 -2.567 -2.525 -2.512 -2.522 -2.550 -2.592 -2.646 -2.709 -2.781 -2.859 -3.033 -3.071 -3.109 -3.147 -3.187 -3.227 -3.268 -3.309 -3.351 -3.394 -3.437 -3.481 -3.525 -3.570 -3.616 -3.662 -3.709 -3.757 -3.805 -3.854 -3.903 99999.999 -3.483 -3.102 -2.865 -2.714 -2.621 -2.570 -2.549 -2.551 -2.571 -2.605 -2.651 -2.706 -2.769 -2.839 -2.997 -3.030 -3.065 -3.100 -3.136 -3.173 -3.210 -3.248 -3.286 -3.325 -3.365 -3.405 -3.446 -3.488 -3.530 -3.573 -3.616 -3.660 -3.704 -3.749 -3.795 Y(Ac)2+ Y(CH3COO)2+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 2 2.000 35 1.000 50 -5.238 -4.530 -4.161 -3.993 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.238 -4.530 -4.161 -3.993 -3.964 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.238 -4.530 -4.161 -3.993 -3.964 -4.041 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.238 -4.529 -4.160 -3.992 -3.963 -4.040 -4.203 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.237 -4.529 -4.160 -3.991 -3.962 -4.039 -4.202 -4.441 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.237 -4.528 -4.158 -3.990 -3.960 -4.036 -4.199 -4.438 -4.748 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.236 -4.527 -4.157 -3.988 -3.958 -4.033 -4.195 -4.433 -4.742 -5.125 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.234 -4.525 -4.154 -3.985 -3.954 -4.029 -4.190 -4.426 -4.733 -5.113 -5.582 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.233 -4.522 -4.151 -3.981 -3.950 -4.023 -4.182 -4.416 -4.721 -5.097 -5.560 -6.134 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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Y(CH3COO)3 P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 3.000 Ref: Shock07 2 3.000 35 1.000 50 -7.050 -5.893 -5.252 -4.921 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.050 -5.893 -5.252 -4.921 -4.805 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.050 -5.893 -5.252 -4.920 -4.805 -4.854 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-6.817 -7.493 -8.275 -9.242 -10.577 -10.962 -11.366 -11.802 -12.295 -12.901 -13.692 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.923 -5.722 -5.053 -4.695 -4.548 -4.558 -4.693 -4.932 -5.263 -5.677 -6.171 -6.742 -7.392 -8.135 -9.028 -10.410 -10.781 -11.170 -11.579 -12.021 -12.513 -13.087 -13.780 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.918 -5.711 -5.039 -4.679 -4.529 -4.536 -4.667 -4.901 -5.226 -5.632 -6.115 -6.670 -7.299 -8.007 -8.837 -10.252 -10.611 -10.985 -11.376 -11.789 -12.232 -12.718 -13.265 -13.893 -14.614 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.914 -5.702 -5.026 -4.663 -4.511 -4.514 -4.641 -4.871 -5.190 -5.589 -6.061 -6.603 -7.212 -7.891 -8.668 -10.103 -10.451 -10.812 -11.187 -11.580 -11.994 -12.435 -12.912 -13.435 -14.014 -14.654 -15.352 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.910 -5.693 -5.014 -4.648 -4.493 -4.494 -4.617 -4.842 -5.155 -5.546 -6.010 -6.539 -7.130 -7.785 -8.519 -9.963 -10.300 -10.649 -11.011 -11.388 -11.781 -12.194 -12.631 -13.096 -13.597 -14.136 -14.716 -15.331 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.908 -5.684 -5.003 -4.634 -4.476 -4.474 -4.593 -4.813 -5.121 -5.506 -5.960 -6.478 -7.055 -7.688 -8.387 -9.830 -10.158 -10.496 -10.846 -11.209 -11.585 -11.978 -12.388 -12.818 -13.272 -13.751 -14.257 -14.788 -15.341 -15.908 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.907 -5.677 -4.991 -4.620 -4.460 -4.454 -4.570 -4.786 -5.088 -5.466 -5.913 -6.420 -6.984 -7.599 -8.271 -9.704 -10.023 -10.351 -10.690 -11.041 -11.404 -11.780 -12.170 -12.575 -12.998 -13.438 -13.897 -14.374 -14.866 -15.370 -15.878 99999.999 99999.999 99999.999 99999.999 99999.999 -6.906 -5.670 -4.981 -4.607 -4.444 -4.436 -4.548 -4.759 -5.056 -5.428 -5.867 -6.365 -6.917 -7.518 -8.168 -9.584 -9.894 -10.214 -10.544 -10.883 -11.234 -11.596 -11.970 -12.357 -12.757 -13.170 -13.597 -14.037 -14.488 -14.947 -15.410 -15.872 -16.327 99999.999 99999.999 99999.999 -6.906 -5.663 -4.971 -4.594 -4.429 -4.417 -4.526 -4.734 -5.025 -5.391 -5.823 -6.312 -6.854 -7.442 -8.076 -9.469 -9.772 -10.084 -10.405 -10.735 -11.074 -11.424 -11.785 -12.156 -12.538 -12.932 -13.335 -13.749 -14.170 -14.598 -15.028 -15.458 -15.883 -16.297 99999.999 99999.999 -6.907 -5.658 -4.962 -4.582 -4.414 -4.400 -4.505 -4.708 -4.995 -5.355 -5.780 -6.262 -6.794 -7.372 -7.992 -9.360 -9.656 -9.960 -10.272 -10.593 -10.923 -11.263 -11.612 -11.970 -12.338 -12.715 -13.100 -13.493 -13.893 -14.298 -14.705 -15.111 -15.512 -15.906 -16.287 -16.651 -6.909 -5.653 -4.953 -4.571 -4.400 -4.383 -4.485 -4.684 -4.966 -5.320 -5.738 -6.213 -6.736 -7.304 -7.914 -9.255 -9.545 -9.841 -10.146 -10.459 -10.780 -11.110 -11.448 -11.795 -12.151 -12.514 -12.885 -13.262 -13.645 -14.032 -14.421 -14.808 -15.193 -15.571 -15.938 -16.293 -6.968 -5.633 -4.892 -4.480 -4.283 -4.239 -4.310 -4.474 -4.715 -5.020 -5.382 -5.793 -6.247 -6.737 -7.260 -8.395 -8.636 -8.882 -9.133 -9.388 -9.649 -9.914 -10.184 -10.459 -10.738 -11.023 -11.311 -11.604 -11.900 -12.199 -12.501 -12.805 -13.111 -13.417 -13.723 -14.028 -7.087 -5.660 -4.873 -4.429 -4.205 -4.136 -4.181 -4.315 -4.522 -4.788 -5.107 -5.469 -5.870 -6.303 -6.765 -7.760 -7.970 -8.184 -8.401 -8.621 -8.845 -9.072 -9.303 -9.537 -9.775 -10.016 -10.261 -10.508 -10.759 -11.013 -11.269 -11.528 -11.790 -12.053 -12.319 -12.587 -7.255 -5.726 -4.887 -4.410 -4.159 -4.065 -4.085 -4.194 -4.372 -4.607 -4.889 -5.213 -5.571 -5.959 -6.373 -7.263 -7.450 -7.640 -7.833 -8.029 -8.227 -8.428 -8.632 -8.838 -9.047 -9.259 -9.474 -9.691 -9.911 -10.133 -10.358 -10.585 -10.815 -11.047 -11.281 -11.517 -7.462 -5.822 -4.929 -4.416 -4.137 -4.019 -4.017 -4.102 -4.255 -4.463 -4.716 -5.007 -5.330 -5.681 -6.055 -6.861 -7.031 -7.202 -7.377 -7.553 -7.732 -7.913 -8.096 -8.282 -8.470 -8.660 -8.852 -9.047 -9.244 -9.443 -9.644 -9.847 -10.053 -10.260 -10.470 -10.682 -7.699 -5.945 -4.994 -4.444 -4.137 -3.995 -3.971 -4.034 -4.165 -4.349 -4.576 -4.839 -5.133 -5.452 -5.794 -6.530 -6.685 -6.841 -7.001 -7.162 -7.325 -7.490 -7.657 -7.826 -7.997 -8.171 -8.346 -8.523 -8.702 -8.882 -9.065 -9.250 -9.437 -9.626 -9.816 -10.009 -7.963 -6.087 -5.078 -4.490 -4.155 -3.989 -3.943 -3.986 -4.096 -4.259 -4.464 -4.703 -4.971 -5.263 -5.576 -6.253 -6.395 -6.540 -6.686 -6.834 -6.984 -7.136 -7.290 -7.446 -7.604 -7.763 -7.924 -8.087 -8.251 -8.418 -8.586 -8.756 -8.928 -9.101 -9.277 -9.454 -8.247 -6.248 -5.178 -4.552 -4.187 -3.998 -3.931 -3.955 -4.046 -4.189 -4.374 -4.592 -4.837 -5.105 -5.394 -6.019 -6.151 -6.284 -6.420 -6.557 -6.697 -6.837 -6.980 -7.125 -7.271 -7.418 -7.568 -7.719 -7.872 -8.026 -8.182 -8.340 -8.500 -8.661 -8.824 -8.989 99999.999 -6.422 -5.292 -4.627 -4.233 -4.020 -3.933 -3.937 -4.010 -4.136 -4.302 -4.501 -4.726 -4.974 -5.240 -5.820 -5.943 -6.067 -6.193 -6.321 -6.451 -6.582 -6.716 -6.850 -6.987 -7.125 -7.264 -7.405 -7.548 -7.693 -7.839 -7.987 -8.136 -8.287 -8.440 -8.594 La+2 La+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 5 -1.125 1 -0.125 4 1.000 51 0.125 6 0.500 2 74.488 67.470 61.518 56.410 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.488 67.470 61.518 56.410 51.977 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.488 67.470 61.519 56.411 51.978 48.092 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.489 67.471 61.519 56.411 51.978 48.092 44.655 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.490 67.472 61.520 56.412 51.979 48.093 44.656 41.591 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.491 67.473 61.522 56.414 51.981 48.095 44.658 41.593 38.841 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.494 67.476 61.524 56.416 51.983 48.097 44.660 41.596 38.844 36.355 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.497 67.479 61.528 56.420 51.987 48.101 44.664 41.599 38.848 36.360 34.094 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.502 67.484 61.533 56.425 51.991 48.105 44.668 41.604 38.853 36.365 34.101 32.026 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.508 67.491 61.539 56.431 51.997 48.111 44.675 41.611 38.860 36.373 34.109 32.036 30.130 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.516 67.499 61.547 56.439 52.006 48.120 44.683 41.619 38.869 36.382 34.120 32.048 30.143 28.407 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.527 67.510 61.558 56.449 52.016 48.130 44.693 41.630 38.880 36.394 34.134 32.064 30.161 28.414 26.899 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.535 67.518 61.566 56.458 52.024 48.138 44.701 41.638 38.889 36.404 34.144 32.077 30.176 28.426 26.836 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.546 67.530 61.578 56.469 52.035 48.149 44.713 41.650 38.901 36.417 34.159 32.094 30.197 28.447 26.822 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.557 67.542 61.589 56.480 52.046 48.160 44.724 41.662 38.913 36.430 34.173 32.111 30.217 28.471 26.838 26.698 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.569 67.553 61.601 56.491 52.057 48.171 44.735 41.673 38.925 36.443 34.187 32.127 30.237 28.495 26.866 25.153 25.386 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.580 67.565 61.612 56.503 52.068 48.182 44.746 41.684 38.937 36.455 34.201 32.143 30.256 28.519 26.898 24.779 24.583 24.587 24.808 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.590 67.576 61.623 56.513 52.079 48.193 44.757 41.695 38.948 36.467 34.214 32.158 30.275 28.542 26.930 24.610 24.279 24.045 23.937 23.956 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.601 67.587 61.634 56.524 52.090 48.203 44.767 41.706 38.959 36.479 34.227 32.173 30.292 28.564 26.961 24.515 24.122 23.789 23.531 23.358 23.269 23.234 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.612 67.598 61.645 56.535 52.100 48.214 44.778 41.717 38.970 36.491 34.240 32.187 30.309 28.585 26.990 24.456 24.029 23.644 23.311 23.035 22.823 22.669 22.558 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.622 67.609 61.656 56.546 52.110 48.224 44.788 41.727 38.981 36.502 34.252 32.201 30.324 28.603 27.016 24.417 23.969 23.554 23.177 22.843 22.556 22.318 22.123 21.964 21.824 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.632 67.620 61.667 56.556 52.121 48.234 44.798 41.738 38.992 36.513 34.264 32.214 30.339 28.621 27.039 24.391 23.928 23.494 23.090 22.720 22.387 22.092 21.836 21.616 21.424 21.252 21.091 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.643 67.631 61.677 56.566 52.131 48.244 44.809 41.748 39.003 36.524 34.276 32.227 30.353 28.636 27.059 24.374 23.901 23.453 23.031 22.637 22.274 21.942 21.642 21.375 21.137 20.923 20.729 20.548 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.653 67.641 61.688 56.577 52.141 48.254 44.819 41.758 39.013 36.535 34.287 32.239 30.366 28.651 27.076 24.363 23.882 23.424 22.989 22.579 22.194 21.837 21.507 21.205 20.930 20.680 20.453 20.243 20.047 19.863 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.663 67.652 61.698 56.587 52.151 48.264 44.828 41.768 39.023 36.546 34.298 32.250 30.379 28.664 27.090 24.356 23.870 23.404 22.960 22.537 22.138 21.762 21.410 21.083 20.780 20.501 20.243 20.006 19.785 19.579 19.386 99999.999 99999.999 99999.999 99999.999 99999.999 74.672 67.662 61.708 56.597 52.161 48.274 44.838 41.778 39.033 36.556 34.309 32.262 30.390 28.676 27.103 24.353 23.862 23.390 22.939 22.507 22.096 21.707 21.339 20.993 20.669 20.366 20.085 19.823 19.579 19.351 19.138 18.937 18.748 99999.999 99999.999 99999.999 74.682 67.672 61.718 56.607 52.170 48.283 44.848 41.788 39.043 36.567 34.320 32.273 30.402 28.687 27.113 24.352 23.857 23.381 22.924 22.485 22.066 21.666 21.286 20.926 20.585 20.265 19.964 19.682 19.417 19.169 18.937 18.718 18.512 18.318 99999.999 99999.999 74.692 67.682 61.729 56.617 52.180 48.293 44.857 41.797 39.053 36.577 34.331 32.284 30.412 28.697 27.123 24.353 23.855 23.375 22.914 22.470 22.044 21.636 21.246 20.875 20.522 20.187 19.871 19.572 19.290 19.024 18.774 18.539 18.316 18.107 17.909 17.722 74.701 67.692 61.739 56.626 52.190 48.302 44.867 41.807 39.063 36.587 34.341 32.294 30.423 28.708 27.132 24.355 23.855 23.373 22.907 22.459 22.028 21.613 21.216 20.836 20.473 20.127 19.798 19.486 19.189 18.909 18.644 18.392 18.155 17.930 17.718 17.517 74.792 67.788 61.834 56.720 52.281 48.392 44.956 41.897 39.154 36.681 34.438 32.394 30.524 28.807 27.227 24.420 23.910 23.414 22.933 22.466 22.013 21.574 21.147 20.733 20.331 19.940 19.561 19.194 18.837 18.491 18.155 17.830 17.515 17.209 16.912 16.625 74.874 67.877 61.923 56.807 52.366 48.475 45.038 41.979 39.237 36.765 34.524 32.482 30.614 28.899 27.319 24.506 23.993 23.494 23.010 22.539 22.081 21.636 21.203 20.781 20.371 19.971 19.582 19.202 18.833 18.473 18.121 17.779 17.445 17.119 16.801 16.490 74.951 67.961 62.006 56.888 52.445 48.553 45.115 42.055 39.313 36.842 34.602 32.563 30.697 28.983 27.404 24.592 24.078 23.578 23.093 22.621 22.162 21.715 21.280 20.857 20.444 20.042 19.650 19.267 18.894 18.530 18.174 17.827 17.487 17.156 16.831 16.514 75.022 68.040 62.085 56.966 52.521 48.627 45.187 42.126 39.384 36.913 34.675 32.636 30.772 29.060 27.483 24.672 24.158 23.659 23.174 22.702 22.243 21.796 21.360 20.937 20.523 20.120 19.728 19.344 18.970 18.605 18.248 17.899 17.559 17.225 16.899 16.580 75.090 68.115 62.161 57.040 52.593 48.697 45.256 42.194 39.451 36.980 34.742 32.704 30.841 29.131 27.555 24.747 24.234 23.735 23.250 22.778 22.320 21.873 21.438 21.014 20.601 20.198 19.805 19.422 19.048 18.683 18.326 17.977 17.636 17.303 16.976 16.657 75.155 68.188 62.234 57.111 52.663 48.765 45.322 42.258 39.515 37.044 34.805 32.768 30.906 29.197 27.622 24.817 24.304 23.806 23.321 22.850 22.392 21.945 21.511 21.087 20.675 20.272 19.880 19.497 19.123 18.758 18.401 18.053 17.712 17.379 17.053 16.734 75.218 68.258 62.304 57.180 52.730 48.830 45.385 42.320 39.576 37.104 34.866 32.829 30.967 29.259 27.685 24.882 24.370 23.872 23.388 22.917 22.459 22.013 21.579 21.156 20.744 20.342 19.950 19.567 19.194 18.829 18.473 18.125 17.785 17.452 17.127 16.809 99999.999 68.326 62.373 57.247 52.795 48.893 45.447 42.381 39.635 37.162 34.923 32.886 31.025 29.317 27.745 24.944 24.432 23.934 23.451 22.980 22.522 22.077 21.643 21.221 20.809 20.407 20.016 19.633 19.261 18.896 18.541 18.193 17.853 17.521 17.196 16.878 LaCO3+ LaCO3+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 3 -1.000 1 1.000 51 1.000 5 3.208 3.212 3.242 3.287 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.208 3.212 3.242 3.287 3.338 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.208 3.212 3.242 3.286 3.337 3.388 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.207 3.212 3.241 3.286 3.337 3.388 3.432 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.207 3.211 3.241 3.286 3.337 3.388 3.432 3.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.206 3.210 3.240 3.285 3.336 3.387 3.432 3.465 3.480 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.205 3.209 3.239 3.284 3.336 3.387 3.432 3.465 3.481 3.471 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.204 3.207 3.237 3.282 3.335 3.386 3.432 3.466 3.484 3.475 3.429 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.202 3.204 3.235 3.280 3.333 3.386 3.432 3.468 3.486 3.481 3.438 3.339 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.199 3.201 3.231 3.277 3.331 3.385 3.433 3.470 3.490 3.487 3.450 3.359 3.183 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.195 3.196 3.226 3.274 3.328 3.383 3.432 3.472 3.495 3.496 3.464 3.383 3.226 2.924 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.190 3.190 3.220 3.268 3.324 3.381 3.432 3.474 3.501 3.506 3.482 3.413 3.276 3.021 2.446 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.186 3.184 3.216 3.264 3.321 3.379 3.432 3.475 3.505 3.514 3.494 3.434 3.312 3.085 2.612 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.179 3.177 3.208 3.258 3.316 3.376 3.431 3.477 3.510 3.524 3.511 3.462 3.358 3.168 2.787 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.172 3.169 3.201 3.252 3.311 3.372 3.430 3.479 3.515 3.533 3.527 3.487 3.401 3.240 2.927 1.024 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.165 3.161 3.193 3.245 3.306 3.369 3.428 3.480 3.519 3.541 3.541 3.511 3.439 3.304 3.044 2.325 1.650 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.158 3.153 3.186 3.238 3.300 3.365 3.426 3.480 3.522 3.549 3.554 3.533 3.474 3.360 3.145 2.665 2.357 1.860 1.033 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.150 3.144 3.178 3.231 3.295 3.361 3.424 3.481 3.526 3.556 3.567 3.552 3.505 3.411 3.233 2.860 2.659 2.380 1.976 1.384 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.142 3.135 3.169 3.224 3.289 3.357 3.422 3.481 3.529 3.562 3.578 3.571 3.534 3.457 3.310 2.999 2.849 2.656 2.400 2.054 1.588 0.979 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.134 3.127 3.161 3.217 3.283 3.352 3.419 3.480 3.531 3.568 3.588 3.588 3.560 3.498 3.378 3.107 2.989 2.841 2.656 2.419 2.116 1.728 1.246 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.126 3.117 3.152 3.209 3.277 3.348 3.417 3.480 3.533 3.573 3.598 3.603 3.584 3.535 3.437 3.197 3.099 2.981 2.836 2.659 2.439 2.168 1.836 1.438 0.975 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.117 3.108 3.144 3.201 3.270 3.343 3.414 3.479 3.535 3.578 3.607 3.617 3.606 3.568 3.489 3.274 3.191 3.093 2.976 2.835 2.665 2.461 2.216 1.925 1.587 1.203 0.779 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.108 3.099 3.135 3.194 3.264 3.338 3.410 3.478 3.536 3.582 3.615 3.630 3.626 3.597 3.535 3.341 3.270 3.187 3.089 2.973 2.836 2.674 2.484 2.261 2.004 1.711 1.385 1.030 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.098 3.089 3.126 3.186 3.257 3.332 3.407 3.476 3.537 3.586 3.622 3.642 3.644 3.624 3.575 3.401 3.340 3.268 3.185 3.087 2.973 2.841 2.687 2.509 2.306 2.076 1.819 1.537 1.234 0.915 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.089 3.079 3.116 3.177 3.250 3.327 3.403 3.474 3.537 3.590 3.629 3.653 3.660 3.647 3.610 3.454 3.401 3.339 3.267 3.184 3.087 2.976 2.848 2.702 2.537 2.350 2.143 1.916 1.670 1.408 1.135 99999.999 99999.999 99999.999 99999.999 99999.999 3.079 3.069 3.107 3.169 3.243 3.322 3.399 3.472 3.538 3.593 3.635 3.663 3.675 3.669 3.640 3.503 3.457 3.403 3.340 3.268 3.185 3.090 2.982 2.859 2.721 2.567 2.395 2.208 2.005 1.788 1.560 1.324 1.081 99999.999 99999.999 99999.999 3.069 3.059 3.098 3.161 3.236 3.316 3.395 3.470 3.538 3.595 3.641 3.673 3.689 3.688 3.667 3.548 3.507 3.460 3.406 3.343 3.271 3.189 3.096 2.991 2.873 2.743 2.599 2.441 2.271 2.089 1.897 1.696 1.490 1.280 99999.999 99999.999 3.059 3.048 3.088 3.152 3.229 3.310 3.391 3.468 3.538 3.598 3.646 3.681 3.702 3.706 3.691 3.589 3.554 3.512 3.465 3.409 3.347 3.275 3.194 3.104 3.003 2.891 2.767 2.633 2.488 2.333 2.169 1.998 1.820 1.639 1.455 1.271 3.049 3.038 3.078 3.143 3.221 3.304 3.387 3.465 3.537 3.600 3.651 3.689 3.714 3.722 3.713 3.627 3.597 3.560 3.518 3.470 3.415 3.352 3.281 3.202 3.114 3.017 2.911 2.795 2.670 2.536 2.395 2.247 2.093 1.935 1.775 1.613 2.933 2.924 2.973 3.049 3.140 3.236 3.334 3.429 3.520 3.604 3.679 3.744 3.800 3.844 3.877 3.902 3.900 3.895 3.888 3.877 3.864 3.848 3.828 3.805 3.779 3.750 3.717 3.682 3.643 3.600 3.555 3.508 3.457 3.404 3.349 3.293 2.801 2.797 2.857 2.945 3.048 3.157 3.268 3.378 3.485 3.586 3.680 3.767 3.845 3.915 3.975 4.067 4.081 4.092 4.102 4.110 4.116 4.121 4.123 4.123 4.121 4.117 4.112 4.104 4.094 4.082 4.069 4.053 4.036 4.017 3.996 3.974 2.655 2.660 2.732 2.832 2.947 3.069 3.193 3.317 3.437 3.553 3.663 3.767 3.864 3.953 4.035 4.175 4.199 4.221 4.243 4.262 4.281 4.298 4.313 4.327 4.340 4.351 4.360 4.368 4.374 4.379 4.383 4.385 4.385 4.384 4.382 4.379 2.498 2.515 2.600 2.713 2.840 2.974 3.111 3.246 3.379 3.508 3.633 3.751 3.863 3.969 4.068 4.245 4.277 4.308 4.338 4.366 4.394 4.420 4.445 4.468 4.490 4.512 4.531 4.550 4.567 4.583 4.598 4.612 4.624 4.635 4.645 4.653 2.332 2.363 2.461 2.588 2.728 2.874 3.022 3.169 3.313 3.455 3.591 3.723 3.849 3.968 4.082 4.290 4.328 4.366 4.402 4.438 4.472 4.505 4.537 4.568 4.598 4.627 4.654 4.681 4.706 4.730 4.753 4.775 4.796 4.816 4.834 4.852 2.160 2.206 2.318 2.458 2.610 2.768 2.927 3.086 3.241 3.394 3.542 3.685 3.823 3.955 4.081 4.315 4.359 4.402 4.444 4.485 4.525 4.564 4.602 4.639 4.675 4.710 4.744 4.776 4.808 4.839 4.868 4.897 4.924 4.950 4.975 4.999 1.982 2.044 2.170 2.323 2.489 2.659 2.829 2.998 3.164 3.327 3.485 3.639 3.788 3.931 4.068 4.326 4.375 4.423 4.469 4.515 4.560 4.604 4.647 4.689 4.730 4.769 4.808 4.846 4.883 4.919 4.953 4.987 5.020 5.051 5.082 5.111 99999.999 1.878 2.019 2.186 2.364 2.545 2.727 2.906 3.082 3.255 3.423 3.587 3.745 3.899 4.046 4.325 4.378 4.430 4.481 4.531 4.580 4.628 4.675 4.721 4.766 4.811 4.854 4.896 4.937 4.977 5.016 5.054 5.091 5.127 5.162 5.196 LaHCO3+2 LaHCO3+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 2 1.000 51 1.000 5 -1.959 -1.992 -2.138 -2.342 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.959 -1.992 -2.138 -2.342 -2.582 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.959 -1.992 -2.138 -2.342 -2.582 -2.848 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.959 -1.992 -2.138 -2.342 -2.582 -2.848 -3.135 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.958 -1.992 -2.138 -2.342 -2.582 -2.847 -3.134 -3.441 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.958 -1.991 -2.137 -2.341 -2.581 -2.846 -3.133 -3.439 -3.765 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.956 -1.990 -2.136 -2.340 -2.580 -2.845 -3.131 -3.437 -3.762 -4.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.955 -1.989 -2.135 -2.339 -2.578 -2.843 -3.129 -3.434 -3.758 -4.106 -4.487 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.952 -1.987 -2.134 -2.337 -2.576 -2.841 -3.126 -3.429 -3.753 -4.099 -4.476 -4.899 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.949 -1.985 -2.132 -2.335 -2.574 -2.837 -3.121 -3.424 -3.745 -4.089 -4.462 -4.878 -5.358 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.946 -1.983 -2.129 -2.332 -2.570 -2.833 -3.116 -3.417 -3.736 -4.076 -4.444 -4.852 -5.318 -5.879 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.941 -1.979 -2.126 -2.329 -2.566 -2.828 -3.109 -3.408 -3.724 -4.060 -4.422 -4.820 -5.269 -5.801 -6.513 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.938 -1.977 -2.124 -2.327 -2.563 -2.824 -3.104 -3.401 -3.715 -4.049 -4.406 -4.796 -5.233 -5.745 -6.424 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.934 -1.974 -2.121 -2.323 -2.559 -2.819 -3.097 -3.392 -3.703 -4.033 -4.384 -4.764 -5.185 -5.670 -6.298 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.930 -1.972 -2.119 -2.320 -2.555 -2.814 -3.090 -3.383 -3.692 -4.017 -4.363 -4.734 -5.140 -5.601 -6.183 -6.544 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.926 -1.969 -2.117 -2.318 -2.552 -2.809 -3.084 -3.375 -3.681 -4.003 -4.343 -4.706 -5.099 -5.538 -6.078 -6.594 -6.740 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.923 -1.968 -2.115 -2.315 -2.549 -2.805 -3.078 -3.367 -3.671 -3.989 -4.324 -4.680 -5.061 -5.481 -5.983 -6.565 -6.724 -6.895 -7.144 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.920 -1.966 -2.113 -2.313 -2.546 -2.801 -3.073 -3.360 -3.661 -3.976 -4.307 -4.655 -5.026 -5.429 -5.898 -6.517 -6.680 -6.847 -7.029 -7.259 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.918 -1.965 -2.112 -2.312 -2.543 -2.797 -3.068 -3.353 -3.652 -3.964 -4.290 -4.632 -4.994 -5.381 -5.822 -6.467 -6.629 -6.795 -6.967 -7.154 -7.373 -7.650 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.916 -1.963 -2.111 -2.310 -2.541 -2.794 -3.063 -3.346 -3.643 -3.952 -4.274 -4.611 -4.964 -5.338 -5.754 -6.418 -6.578 -6.740 -6.908 -7.082 -7.270 -7.482 -7.731 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.914 -1.963 -2.110 -2.309 -2.539 -2.790 -3.058 -3.340 -3.634 -3.940 -4.259 -4.590 -4.936 -5.299 -5.693 -6.371 -6.528 -6.687 -6.851 -7.019 -7.194 -7.381 -7.586 -7.816 -8.074 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.913 -1.962 -2.109 -2.307 -2.537 -2.787 -3.054 -3.334 -3.626 -3.930 -4.245 -4.572 -4.910 -5.263 -5.640 -6.327 -6.481 -6.637 -6.796 -6.959 -7.127 -7.303 -7.487 -7.685 -7.900 -8.134 -8.386 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.912 -1.962 -2.109 -2.306 -2.535 -2.785 -3.050 -3.328 -3.618 -3.919 -4.231 -4.554 -4.887 -5.231 -5.594 -6.285 -6.436 -6.589 -6.744 -6.903 -7.066 -7.234 -7.407 -7.589 -7.780 -7.983 -8.198 -8.423 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.912 -1.962 -2.109 -2.306 -2.534 -2.782 -3.046 -3.323 -3.611 -3.910 -4.218 -4.537 -4.865 -5.202 -5.553 -6.245 -6.393 -6.543 -6.695 -6.851 -7.009 -7.171 -7.337 -7.509 -7.687 -7.871 -8.064 -8.263 -8.469 -8.679 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.911 -1.962 -2.109 -2.305 -2.532 -2.780 -3.042 -3.318 -3.604 -3.900 -4.206 -4.521 -4.845 -5.176 -5.518 -6.208 -6.353 -6.500 -6.649 -6.801 -6.955 -7.113 -7.274 -7.438 -7.607 -7.780 -7.959 -8.142 -8.329 -8.519 -8.710 99999.999 99999.999 99999.999 99999.999 99999.999 -1.911 -1.963 -2.109 -2.305 -2.531 -2.778 -3.039 -3.313 -3.597 -3.891 -4.195 -4.507 -4.826 -5.153 -5.487 -6.172 -6.314 -6.459 -6.605 -6.754 -6.905 -7.058 -7.215 -7.374 -7.536 -7.702 -7.871 -8.043 -8.218 -8.394 -8.571 -8.747 -8.920 99999.999 99999.999 99999.999 -1.911 -1.963 -2.109 -2.305 -2.530 -2.776 -3.036 -3.308 -3.591 -3.883 -4.184 -4.493 -4.808 -5.131 -5.460 -6.138 -6.278 -6.420 -6.563 -6.709 -6.857 -7.007 -7.160 -7.314 -7.472 -7.632 -7.794 -7.958 -8.124 -8.291 -8.458 -8.625 -8.788 -8.948 99999.999 99999.999 -1.912 -1.964 -2.110 -2.305 -2.530 -2.774 -3.033 -3.304 -3.585 -3.875 -4.173 -4.479 -4.792 -5.111 -5.436 -6.105 -6.243 -6.382 -6.524 -6.667 -6.812 -6.959 -7.108 -7.259 -7.412 -7.567 -7.724 -7.883 -8.042 -8.203 -8.363 -8.522 -8.679 -8.832 -8.981 -9.124 -1.913 -1.965 -2.111 -2.305 -2.529 -2.773 -3.031 -3.300 -3.579 -3.867 -4.163 -4.466 -4.776 -5.092 -5.413 -6.074 -6.210 -6.347 -6.486 -6.626 -6.769 -6.913 -7.059 -7.207 -7.356 -7.507 -7.660 -7.814 -7.969 -8.124 -8.279 -8.433 -8.585 -8.734 -8.879 -9.019 -1.935 -1.988 -2.129 -2.317 -2.533 -2.768 -3.015 -3.271 -3.535 -3.805 -4.082 -4.363 -4.648 -4.937 -5.229 -5.822 -5.942 -6.063 -6.184 -6.306 -6.429 -6.553 -6.678 -6.804 -6.930 -7.057 -7.185 -7.313 -7.442 -7.572 -7.701 -7.831 -7.961 -8.090 -8.218 -8.346 -1.978 -2.027 -2.162 -2.343 -2.551 -2.777 -3.014 -3.260 -3.511 -3.767 -4.028 -4.292 -4.559 -4.827 -5.098 -5.643 -5.752 -5.862 -5.973 -6.083 -6.194 -6.306 -6.417 -6.530 -6.642 -6.755 -6.869 -6.983 -7.097 -7.212 -7.327 -7.443 -7.558 -7.674 -7.791 -7.907 -2.039 -2.080 -2.207 -2.380 -2.581 -2.798 -3.026 -3.262 -3.502 -3.747 -3.994 -4.244 -4.495 -4.748 -5.001 -5.509 -5.611 -5.713 -5.815 -5.917 -6.019 -6.122 -6.224 -6.327 -6.430 -6.534 -6.637 -6.741 -6.845 -6.950 -7.054 -7.159 -7.265 -7.370 -7.476 -7.582 -2.113 -2.144 -2.262 -2.427 -2.619 -2.828 -3.047 -3.274 -3.505 -3.739 -3.975 -4.213 -4.451 -4.690 -4.930 -5.408 -5.503 -5.599 -5.694 -5.790 -5.885 -5.981 -6.076 -6.172 -6.268 -6.364 -6.460 -6.556 -6.652 -6.748 -6.845 -6.942 -7.039 -7.137 -7.234 -7.332 -2.199 -2.217 -2.325 -2.481 -2.664 -2.865 -3.077 -3.295 -3.517 -3.742 -3.968 -4.195 -4.422 -4.650 -4.877 -5.330 -5.420 -5.510 -5.600 -5.690 -5.780 -5.870 -5.960 -6.050 -6.140 -6.230 -6.320 -6.410 -6.500 -6.590 -6.680 -6.771 -6.862 -6.953 -7.044 -7.135 -2.293 -2.297 -2.395 -2.542 -2.716 -2.909 -3.112 -3.322 -3.537 -3.753 -3.970 -4.188 -4.405 -4.622 -4.839 -5.270 -5.356 -5.441 -5.527 -5.612 -5.697 -5.783 -5.868 -5.953 -6.038 -6.123 -6.208 -6.293 -6.378 -6.463 -6.548 -6.634 -6.719 -6.805 -6.891 -6.977 -2.395 -2.384 -2.471 -2.608 -2.774 -2.958 -3.154 -3.356 -3.562 -3.771 -3.980 -4.189 -4.398 -4.606 -4.813 -5.225 -5.306 -5.388 -5.470 -5.551 -5.632 -5.713 -5.795 -5.875 -5.956 -6.037 -6.118 -6.199 -6.280 -6.361 -6.442 -6.523 -6.604 -6.685 -6.766 -6.848 99999.999 -2.476 -2.552 -2.679 -2.836 -3.012 -3.200 -3.395 -3.594 -3.795 -3.996 -4.198 -4.398 -4.598 -4.797 -5.191 -5.270 -5.348 -5.426 -5.504 -5.581 -5.659 -5.737 -5.814 -5.891 -5.969 -6.046 -6.123 -6.200 -6.278 -6.355 -6.432 -6.510 -6.587 -6.665 -6.743 LaOH+2 LaOH+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 3 -1.000 1 1.000 2 1.000 51 10.013 8.640 7.494 6.526 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.013 8.640 7.494 6.526 5.698 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.013 8.641 7.495 6.527 5.699 4.982 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.014 8.642 7.496 6.528 5.700 4.983 4.355 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.016 8.644 7.498 6.529 5.701 4.984 4.357 3.801 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.019 8.647 7.501 6.532 5.704 4.987 4.359 3.804 3.306 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.023 8.651 7.505 6.536 5.708 4.991 4.363 3.807 3.310 2.859 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.029 8.657 7.511 6.542 5.713 4.996 4.368 3.813 3.316 2.865 2.450 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.037 8.665 7.519 6.550 5.721 5.004 4.376 3.820 3.323 2.873 2.459 2.071 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.048 8.677 7.530 6.560 5.731 5.013 4.385 3.830 3.333 2.883 2.470 2.084 1.720 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.063 8.691 7.544 6.574 5.744 5.026 4.398 3.843 3.346 2.897 2.485 2.101 1.739 1.409 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.081 8.710 7.562 6.591 5.761 5.043 4.414 3.859 3.362 2.914 2.503 2.122 1.763 1.427 1.177 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.095 8.724 7.575 6.604 5.774 5.055 4.427 3.871 3.375 2.927 2.518 2.138 1.781 1.445 1.138 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.115 8.744 7.595 6.623 5.792 5.073 4.444 3.889 3.393 2.946 2.538 2.161 1.808 1.475 1.144 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.134 8.764 7.614 6.642 5.810 5.091 4.462 3.906 3.410 2.964 2.557 2.183 1.834 1.506 1.173 2.927 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.154 8.783 7.633 6.660 5.828 5.108 4.479 3.923 3.427 2.981 2.576 2.204 1.860 1.537 1.211 1.670 2.195 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.173 8.803 7.652 6.678 5.845 5.125 4.495 3.940 3.444 2.999 2.595 2.225 1.884 1.566 1.251 1.371 1.546 1.872 2.358 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.191 8.822 7.671 6.696 5.863 5.142 4.512 3.956 3.461 3.016 2.613 2.245 1.907 1.595 1.290 1.241 1.305 1.439 1.664 1.979 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.210 8.841 7.689 6.714 5.880 5.158 4.528 3.972 3.477 3.033 2.630 2.264 1.929 1.622 1.327 1.171 1.185 1.238 1.342 1.507 1.727 1.977 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.228 8.859 7.707 6.732 5.897 5.175 4.544 3.988 3.493 3.049 2.647 2.283 1.950 1.647 1.362 1.131 1.117 1.128 1.171 1.253 1.377 1.538 1.722 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.246 8.878 7.725 6.749 5.913 5.191 4.560 4.004 3.509 3.065 2.664 2.301 1.971 1.671 1.393 1.107 1.075 1.062 1.071 1.106 1.170 1.264 1.385 1.525 1.671 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.264 8.896 7.743 6.766 5.930 5.207 4.576 4.019 3.525 3.081 2.681 2.318 1.990 1.693 1.421 1.093 1.050 1.021 1.008 1.013 1.041 1.091 1.164 1.257 1.365 1.481 1.597 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.281 8.914 7.761 6.783 5.946 5.223 4.591 4.035 3.540 3.096 2.697 2.335 2.008 1.713 1.446 1.086 1.035 0.995 0.967 0.954 0.956 0.977 1.016 1.072 1.145 1.230 1.324 1.420 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.299 8.932 7.778 6.799 5.962 5.238 4.606 4.050 3.555 3.112 2.712 2.351 2.025 1.731 1.468 1.084 1.027 0.978 0.940 0.914 0.900 0.900 0.914 0.944 0.988 1.046 1.114 1.190 1.271 1.354 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.316 8.949 7.795 6.816 5.978 5.254 4.621 4.065 3.570 3.127 2.728 2.367 2.041 1.749 1.487 1.085 1.023 0.969 0.923 0.887 0.861 0.846 0.843 0.853 0.876 0.910 0.956 1.011 1.073 1.141 1.214 99999.999 99999.999 99999.999 99999.999 99999.999 10.333 8.967 7.812 6.832 5.994 5.269 4.636 4.079 3.585 3.142 2.743 2.382 2.057 1.765 1.504 1.089 1.023 0.965 0.913 0.870 0.835 0.809 0.793 0.788 0.794 0.810 0.837 0.873 0.918 0.969 1.028 1.091 1.159 99999.999 99999.999 99999.999 10.349 8.984 7.829 6.848 6.009 5.284 4.651 4.094 3.599 3.156 2.758 2.398 2.072 1.780 1.519 1.095 1.026 0.964 0.908 0.859 0.817 0.783 0.758 0.741 0.734 0.736 0.747 0.768 0.796 0.833 0.876 0.926 0.981 1.041 99999.999 99999.999 10.366 9.001 7.845 6.864 6.024 5.299 4.666 4.108 3.613 3.171 2.772 2.412 2.087 1.794 1.533 1.102 1.031 0.966 0.906 0.853 0.806 0.765 0.733 0.707 0.690 0.681 0.680 0.687 0.702 0.725 0.755 0.791 0.833 0.881 0.935 0.993 10.382 9.017 7.862 6.880 6.040 5.313 4.680 4.122 3.627 3.185 2.786 2.427 2.102 1.809 1.546 1.110 1.037 0.969 0.907 0.850 0.799 0.754 0.715 0.683 0.658 0.639 0.629 0.625 0.629 0.640 0.658 0.682 0.712 0.748 0.790 0.837 10.536 9.177 8.017 7.030 6.184 5.453 4.816 4.256 3.760 3.317 2.920 2.561 2.237 1.942 1.676 1.217 1.136 1.058 0.984 0.912 0.844 0.779 0.718 0.659 0.603 0.550 0.500 0.453 0.409 0.368 0.330 0.295 0.263 0.234 0.208 0.185 10.675 9.322 8.160 7.168 6.316 5.581 4.939 4.377 3.879 3.436 3.039 2.681 2.357 2.063 1.796 1.332 1.249 1.169 1.092 1.018 0.946 0.877 0.810 0.746 0.684 0.624 0.566 0.510 0.456 0.404 0.354 0.306 0.259 0.214 0.171 0.129 10.803 9.458 8.293 7.296 6.440 5.699 5.054 4.488 3.989 3.544 3.147 2.789 2.466 2.173 1.907 1.442 1.359 1.278 1.200 1.125 1.053 0.982 0.914 0.849 0.785 0.723 0.663 0.605 0.548 0.493 0.440 0.388 0.338 0.288 0.240 0.193 10.922 9.585 8.418 7.417 6.556 5.811 5.162 4.593 4.091 3.645 3.246 2.889 2.566 2.273 2.007 1.544 1.460 1.380 1.302 1.227 1.154 1.084 1.016 0.949 0.885 0.823 0.763 0.704 0.647 0.591 0.537 0.484 0.433 0.383 0.334 0.286 11.035 9.705 8.537 7.532 6.666 5.917 5.264 4.692 4.187 3.739 3.339 2.981 2.658 2.366 2.101 1.638 1.555 1.474 1.397 1.322 1.249 1.179 1.111 1.045 0.981 0.919 0.858 0.800 0.743 0.687 0.633 0.580 0.529 0.479 0.430 0.381 11.141 9.820 8.650 7.641 6.771 6.018 5.361 4.785 4.278 3.828 3.427 3.068 2.745 2.452 2.187 1.725 1.642 1.562 1.485 1.410 1.338 1.268 1.200 1.134 1.070 1.008 0.948 0.890 0.833 0.778 0.724 0.672 0.621 0.571 0.522 0.474 11.243 9.931 8.760 7.747 6.873 6.115 5.454 4.875 4.365 3.913 3.510 3.150 2.826 2.533 2.268 1.807 1.724 1.644 1.567 1.493 1.420 1.351 1.283 1.217 1.154 1.092 1.033 0.974 0.918 0.863 0.810 0.757 0.707 0.657 0.609 0.561 99999.999 10.038 8.865 7.849 6.970 6.209 5.544 4.962 4.449 3.995 3.590 3.228 2.903 2.610 2.345 1.884 1.801 1.722 1.644 1.570 1.498 1.428 1.361 1.296 1.232 1.171 1.111 1.054 0.997 0.943 0.889 0.838 0.787 0.738 0.690 0.643 LaO+ LaO+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 3 -2.000 1 1.000 2 1.000 51 20.770 18.170 16.046 14.281 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.770 18.170 16.046 14.281 12.792 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.771 18.170 16.046 14.281 12.793 11.522 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.772 18.171 16.047 14.282 12.794 11.523 10.424 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.774 18.173 16.049 14.284 12.796 11.525 10.426 9.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.777 18.177 16.052 14.287 12.799 11.528 10.429 9.467 8.617 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.782 18.181 16.057 14.292 12.803 11.532 10.433 9.472 8.622 7.859 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.789 18.188 16.064 14.298 12.810 11.539 10.440 9.479 8.629 7.867 7.171 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.798 18.197 16.073 14.307 12.819 11.547 10.449 9.488 8.639 7.878 7.183 6.537 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.810 18.210 16.085 14.319 12.830 11.559 10.461 9.500 8.652 7.892 7.200 6.557 5.952 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.826 18.226 16.101 14.334 12.845 11.574 10.476 9.516 8.669 7.910 7.221 6.582 5.981 5.429 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.847 18.247 16.121 14.354 12.865 11.594 10.496 9.537 8.690 7.933 7.247 6.614 6.020 5.462 5.024 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.862 18.262 16.136 14.369 12.880 11.608 10.511 9.552 8.706 7.951 7.267 6.638 6.050 5.493 4.970 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.885 18.285 16.158 14.391 12.901 11.629 10.532 9.574 8.729 7.976 7.296 6.672 6.092 5.543 4.989 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.907 18.307 16.180 14.412 12.921 11.650 10.553 9.596 8.752 8.000 7.323 6.705 6.133 5.594 5.043 7.731 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.928 18.329 16.202 14.433 12.942 11.670 10.573 9.617 8.774 8.024 7.350 6.736 6.172 5.644 5.109 5.813 6.609 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.949 18.351 16.223 14.453 12.962 11.690 10.594 9.638 8.796 8.047 7.376 6.767 6.209 5.692 5.177 5.357 5.620 6.112 6.833 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.970 18.372 16.243 14.474 12.982 11.710 10.614 9.658 8.817 8.070 7.401 6.796 6.245 5.738 5.243 5.160 5.254 5.455 5.793 6.259 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.991 18.393 16.264 14.494 13.002 11.730 10.633 9.678 8.838 8.092 7.425 6.824 6.279 5.781 5.305 5.056 5.073 5.151 5.307 5.552 5.876 6.238 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.011 18.414 16.284 14.513 13.021 11.749 10.652 9.698 8.859 8.114 7.449 6.851 6.311 5.821 5.362 4.996 4.972 4.986 5.050 5.171 5.354 5.591 5.857 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.032 18.434 16.304 14.533 13.040 11.768 10.672 9.717 8.879 8.135 7.472 6.877 6.341 5.858 5.413 4.962 4.912 4.889 4.900 4.951 5.045 5.185 5.363 5.564 5.771 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.051 18.454 16.324 14.552 13.059 11.787 10.690 9.736 8.899 8.156 7.494 6.901 6.369 5.892 5.458 4.944 4.876 4.829 4.807 4.814 4.854 4.927 5.035 5.172 5.328 5.493 5.655 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.071 18.474 16.344 14.571 13.078 11.805 10.709 9.755 8.918 8.177 7.516 6.925 6.396 5.923 5.498 4.935 4.855 4.792 4.748 4.727 4.730 4.759 4.817 4.901 5.007 5.131 5.265 5.402 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.090 18.494 16.363 14.590 13.096 11.823 10.727 9.774 8.937 8.197 7.538 6.948 6.422 5.952 5.533 4.934 4.845 4.770 4.711 4.669 4.647 4.647 4.668 4.712 4.778 4.862 4.962 5.072 5.188 5.308 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.109 18.514 16.382 14.609 13.115 11.841 10.745 9.792 8.956 8.217 7.558 6.971 6.445 5.978 5.564 4.938 4.842 4.758 4.688 4.632 4.592 4.570 4.565 4.580 4.614 4.665 4.733 4.814 4.906 5.005 5.111 99999.999 99999.999 99999.999 99999.999 99999.999 21.128 18.533 16.401 14.627 13.133 11.859 10.763 9.810 8.975 8.236 7.579 6.992 6.468 6.002 5.590 4.945 4.844 4.754 4.675 4.609 4.556 4.517 4.494 4.486 4.495 4.520 4.561 4.615 4.682 4.760 4.846 4.940 5.040 99999.999 99999.999 99999.999 21.147 18.552 16.420 14.646 13.150 11.877 10.780 9.828 8.993 8.255 7.599 7.013 6.490 6.025 5.613 4.955 4.850 4.754 4.669 4.595 4.532 4.481 4.444 4.420 4.410 4.414 4.432 4.464 4.508 4.564 4.630 4.705 4.788 4.879 99999.999 99999.999 21.165 18.571 16.439 14.664 13.168 11.894 10.798 9.846 9.011 8.274 7.618 7.033 6.511 6.046 5.635 4.967 4.859 4.759 4.669 4.588 4.518 4.458 4.409 4.372 4.348 4.335 4.336 4.348 4.373 4.409 4.456 4.512 4.578 4.652 4.735 4.826 21.184 18.590 16.457 14.682 13.186 11.911 10.815 9.863 9.029 8.292 7.637 7.053 6.532 6.067 5.655 4.980 4.870 4.767 4.673 4.587 4.510 4.443 4.386 4.339 4.303 4.278 4.264 4.261 4.269 4.288 4.317 4.357 4.405 4.463 4.529 4.604 21.355 18.767 16.631 14.851 13.351 12.074 10.976 10.025 9.194 8.463 7.815 7.237 6.722 6.260 5.847 5.150 5.029 4.914 4.804 4.699 4.600 4.505 4.416 4.331 4.252 4.177 4.106 4.041 3.980 3.924 3.873 3.827 3.785 3.748 3.716 3.689 21.509 18.928 16.790 15.006 13.502 12.222 11.123 10.171 9.342 8.614 7.970 7.398 6.888 6.431 6.023 5.327 5.205 5.088 4.975 4.868 4.765 4.666 4.571 4.481 4.393 4.310 4.230 4.153 4.080 4.009 3.942 3.877 3.815 3.756 3.699 3.645 21.651 19.078 16.938 15.150 13.642 12.359 11.257 10.305 9.476 8.750 8.109 7.541 7.036 6.584 6.180 5.490 5.369 5.253 5.141 5.034 4.931 4.832 4.737 4.646 4.558 4.473 4.392 4.313 4.237 4.164 4.093 4.025 3.959 3.895 3.833 3.773 21.782 19.218 17.077 15.286 13.774 12.487 11.383 10.429 9.600 8.875 8.236 7.671 7.169 6.722 6.321 5.640 5.520 5.405 5.294 5.188 5.087 4.989 4.895 4.804 4.717 4.633 4.552 4.474 4.399 4.326 4.255 4.187 4.121 4.056 3.994 3.933 21.905 19.351 17.209 15.414 13.898 12.608 11.501 10.546 9.716 8.990 8.353 7.790 7.291 6.847 6.450 5.775 5.657 5.543 5.434 5.330 5.229 5.133 5.040 4.951 4.865 4.782 4.703 4.626 4.551 4.480 4.410 4.343 4.278 4.215 4.154 4.094 22.022 19.477 17.334 15.536 14.017 12.723 11.614 10.656 9.825 9.099 8.462 7.901 7.404 6.962 6.568 5.900 5.783 5.671 5.563 5.460 5.360 5.265 5.174 5.086 5.001 4.920 4.842 4.766 4.693 4.623 4.555 4.489 4.425 4.364 4.304 4.246 22.133 19.598 17.455 15.653 14.130 12.833 11.721 10.761 9.928 9.202 8.565 8.004 7.509 7.069 6.677 6.015 5.899 5.788 5.681 5.579 5.481 5.387 5.297 5.210 5.127 5.047 4.969 4.895 4.823 4.754 4.688 4.623 4.561 4.501 4.442 4.386 99999.999 19.715 17.571 15.766 14.240 12.939 11.824 10.862 10.028 9.300 8.663 8.102 7.607 7.169 6.779 6.121 6.006 5.896 5.791 5.689 5.593 5.500 5.410 5.325 5.242 5.163 5.087 5.014 4.944 4.876 4.810 4.747 4.686 4.627 4.570 4.514 LaO2H,aq LaO2H(AQ) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 3.000 Ref: Shock07 3 -3.000 1 2.000 2 1.000 51 31.830 27.910 24.772 22.214 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.830 27.910 24.772 22.214 20.097 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.831 27.910 24.773 22.215 20.098 18.325 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.832 27.911 24.774 22.216 20.099 18.326 16.825 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.834 27.913 24.776 22.217 20.101 18.328 16.827 15.542 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.837 27.916 24.779 22.220 20.104 18.331 16.830 15.546 14.435 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.841 27.921 24.783 22.225 20.108 18.335 16.835 15.550 14.440 13.468 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.847 27.927 24.790 22.231 20.114 18.342 16.841 15.557 14.448 13.476 12.611 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.855 27.936 24.798 22.240 20.123 18.350 16.850 15.567 14.458 13.488 12.624 11.838 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.866 27.947 24.810 22.251 20.134 18.362 16.862 15.579 14.471 13.503 12.642 11.860 11.138 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.880 27.962 24.825 22.266 20.149 18.377 16.877 15.595 14.489 13.522 12.664 11.888 11.172 10.518 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.898 27.981 24.844 22.285 20.168 18.395 16.896 15.616 14.510 13.546 12.693 11.924 11.217 10.560 10.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.912 27.996 24.859 22.299 20.182 18.410 16.911 15.631 14.527 13.565 12.714 11.950 11.251 10.598 9.979 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.931 28.016 24.879 22.319 20.202 18.430 16.932 15.653 14.550 13.590 12.744 11.988 11.299 10.658 10.011 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.950 28.037 24.899 22.339 20.222 18.450 16.952 15.674 14.573 13.615 12.773 12.023 11.345 10.718 10.080 13.026 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.969 28.056 24.919 22.359 20.241 18.470 16.972 15.695 14.595 13.640 12.801 12.057 11.389 10.776 10.161 10.968 11.827 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.987 28.076 24.939 22.378 20.260 18.489 16.992 15.715 14.617 13.663 12.828 12.090 11.431 10.832 10.242 10.475 10.766 11.300 12.065 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.005 28.095 24.958 22.397 20.279 18.508 17.011 15.735 14.638 13.686 12.854 12.121 11.470 10.884 10.321 10.264 10.372 10.596 10.966 11.466 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.022 28.114 24.977 22.416 20.297 18.526 17.030 15.755 14.659 13.709 12.880 12.151 11.507 10.933 10.394 10.153 10.179 10.272 10.448 10.718 11.070 11.452 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.039 28.132 24.995 22.434 20.316 18.544 17.048 15.774 14.679 13.731 12.904 12.180 11.542 10.978 10.460 10.091 10.071 10.096 10.174 10.314 10.520 10.780 11.066 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.055 28.150 25.013 22.452 20.333 18.562 17.066 15.793 14.699 13.752 12.928 12.207 11.575 11.019 10.519 10.055 10.008 9.993 10.014 10.080 10.192 10.353 10.552 10.774 10.996 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.072 28.168 25.031 22.469 20.351 18.579 17.084 15.811 14.718 13.773 12.950 12.232 11.605 11.057 10.571 10.036 9.970 9.929 9.916 9.935 9.990 10.081 10.209 10.366 10.543 10.726 10.904 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.088 28.185 25.048 22.487 20.368 18.596 17.102 15.829 14.737 13.793 12.972 12.257 11.634 11.091 10.617 10.028 9.949 9.891 9.854 9.843 9.859 9.904 9.979 10.082 10.210 10.354 10.508 10.664 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.103 28.202 25.066 22.504 20.385 18.613 17.119 15.847 14.755 13.813 12.994 12.281 11.660 11.122 10.656 10.027 9.939 9.868 9.815 9.783 9.772 9.785 9.823 9.885 9.970 10.076 10.197 10.328 10.466 10.607 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.119 28.219 25.083 22.521 20.401 18.630 17.135 15.864 14.773 13.832 13.015 12.303 11.685 11.150 10.689 10.031 9.936 9.856 9.792 9.744 9.715 9.705 9.715 9.747 9.799 9.871 9.959 10.063 10.177 10.301 10.430 99999.999 99999.999 99999.999 99999.999 99999.999 32.134 28.236 25.099 22.537 20.418 18.646 17.152 15.881 14.791 13.851 13.035 12.325 11.709 11.175 10.718 10.039 9.939 9.852 9.779 9.720 9.677 9.650 9.640 9.649 9.675 9.720 9.781 9.857 9.947 10.049 10.160 10.280 10.408 99999.999 99999.999 99999.999 32.149 28.252 25.116 22.553 20.434 18.662 17.168 15.898 14.809 13.869 13.055 12.346 11.731 11.199 10.743 10.050 9.946 9.853 9.773 9.706 9.652 9.613 9.588 9.579 9.586 9.609 9.647 9.700 9.767 9.847 9.938 10.040 10.151 10.271 99999.999 99999.999 32.163 28.268 25.132 22.569 20.450 18.678 17.184 15.914 14.826 13.887 13.074 12.367 11.752 11.221 10.765 10.063 9.955 9.859 9.773 9.700 9.638 9.589 9.553 9.530 9.522 9.527 9.547 9.580 9.627 9.687 9.759 9.842 9.935 10.038 10.152 10.275 32.177 28.284 25.148 22.585 20.465 18.694 17.200 15.930 14.843 13.905 13.093 12.387 11.773 11.242 10.786 10.078 9.967 9.867 9.778 9.699 9.631 9.574 9.529 9.496 9.475 9.467 9.472 9.489 9.519 9.561 9.615 9.681 9.757 9.843 9.940 10.046 32.306 28.429 25.295 22.731 20.609 18.837 17.344 16.077 14.995 14.065 13.262 12.566 11.961 11.436 10.982 10.254 10.134 10.022 9.917 9.819 9.728 9.643 9.565 9.494 9.428 9.369 9.315 9.268 9.226 9.190 9.160 9.136 9.117 9.104 9.097 9.096 32.414 28.554 25.424 22.859 20.736 18.963 17.470 16.205 15.126 14.202 13.405 12.716 12.120 11.602 11.154 10.432 10.312 10.199 10.092 9.992 9.898 9.810 9.728 9.650 9.578 9.511 9.448 9.389 9.335 9.284 9.238 9.195 9.156 9.120 9.088 9.059 32.506 28.666 25.539 22.974 20.849 19.075 17.582 16.317 15.241 14.320 13.529 12.846 12.256 11.745 11.304 10.592 10.474 10.362 10.257 10.158 10.065 9.978 9.896 9.819 9.746 9.678 9.615 9.555 9.499 9.447 9.398 9.352 9.309 9.269 9.231 9.196 32.585 28.765 25.643 23.078 20.952 19.176 17.682 16.418 15.343 14.425 13.637 12.960 12.375 11.871 11.435 10.735 10.618 10.509 10.405 10.308 10.217 10.132 10.051 9.976 9.905 9.839 9.776 9.718 9.663 9.612 9.564 9.519 9.476 9.437 9.400 9.365 32.654 28.855 25.738 23.173 21.046 19.269 17.775 16.510 15.436 14.519 13.734 13.061 12.481 11.981 11.550 10.861 10.746 10.639 10.538 10.443 10.354 10.270 10.192 10.118 10.049 9.985 9.924 9.868 9.815 9.766 9.719 9.676 9.636 9.598 9.562 9.529 32.716 28.938 25.825 23.261 21.134 19.355 17.860 16.595 15.521 14.605 13.822 13.151 12.575 12.080 11.654 10.974 10.861 10.755 10.656 10.563 10.476 10.394 10.318 10.246 10.179 10.117 10.058 10.004 9.953 9.905 9.861 9.820 9.781 9.745 9.712 9.681 32.771 29.015 25.907 23.343 21.215 19.436 17.939 16.674 15.600 14.685 13.903 13.234 12.661 12.169 11.746 11.075 10.964 10.860 10.763 10.671 10.586 10.506 10.431 10.361 10.296 10.235 10.179 10.126 10.077 10.031 9.989 9.949 9.913 9.879 9.848 9.819 99999.999 29.087 25.984 23.421 21.292 19.511 18.013 16.748 15.673 14.758 13.978 13.310 12.739 12.250 11.831 11.166 11.057 10.955 10.859 10.769 10.685 10.607 10.533 10.465 10.401 10.342 10.287 10.236 10.188 10.144 10.104 10.066 10.031 9.999 9.970 9.943 LaO2- LaO2- P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 4.000 Ref: Shock07 3 -4.000 1 2.000 2 1.000 51 45.688 40.810 36.835 33.540 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.688 40.810 36.835 33.540 30.772 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.688 40.811 36.835 33.540 30.773 28.424 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.689 40.812 36.836 33.541 30.774 28.425 26.412 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.691 40.814 36.838 33.543 30.775 28.426 26.414 24.676 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.693 40.816 36.841 33.545 30.778 28.429 26.416 24.678 23.168 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.697 40.820 36.845 33.549 30.781 28.432 26.420 24.682 23.171 21.851 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.702 40.826 36.850 33.554 30.787 28.437 26.425 24.687 23.176 21.855 20.694 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.709 40.834 36.858 33.562 30.794 28.444 26.432 24.693 23.183 21.862 20.701 19.678 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.719 40.844 36.868 33.572 30.803 28.454 26.441 24.702 23.192 21.871 20.710 19.686 18.799 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.731 40.857 36.881 33.584 30.816 28.465 26.452 24.714 23.203 21.882 20.721 19.698 18.806 18.092 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.747 40.874 36.898 33.601 30.831 28.481 26.467 24.729 23.218 21.897 20.736 19.713 18.818 18.069 17.692 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.759 40.887 36.911 33.613 30.843 28.492 26.478 24.740 23.229 21.908 20.748 19.726 18.829 18.065 17.517 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.776 40.905 36.929 33.630 30.860 28.509 26.494 24.756 23.245 21.924 20.764 19.743 18.846 18.072 17.429 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.792 40.923 36.946 33.648 30.877 28.525 26.510 24.771 23.260 21.940 20.780 19.761 18.865 18.087 17.409 21.679 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.809 40.940 36.964 33.664 30.893 28.540 26.526 24.786 23.275 21.955 20.796 19.778 18.884 18.106 17.417 18.542 19.890 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.824 40.958 36.981 33.681 30.909 28.556 26.541 24.801 23.290 21.969 20.811 19.794 18.903 18.126 17.437 17.747 18.228 19.100 20.413 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.840 40.974 36.997 33.697 30.925 28.571 26.555 24.816 23.304 21.984 20.826 19.810 18.921 18.147 17.463 17.368 17.572 17.959 18.586 19.466 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.855 40.991 37.014 33.713 30.940 28.586 26.570 24.830 23.318 21.998 20.841 19.826 18.938 18.166 17.489 17.141 17.218 17.399 17.716 18.195 18.834 19.582 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.870 41.007 37.030 33.729 30.955 28.601 26.584 24.844 23.332 22.012 20.855 19.841 18.954 18.185 17.515 16.990 16.995 17.068 17.229 17.492 17.871 18.359 18.928 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.884 41.023 37.046 33.744 30.970 28.615 26.598 24.858 23.346 22.026 20.869 19.855 18.969 18.202 17.537 16.883 16.841 16.850 16.920 17.061 17.283 17.590 17.977 18.424 18.905 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.898 41.039 37.062 33.759 30.985 28.629 26.612 24.871 23.359 22.039 20.882 19.869 18.984 18.217 17.557 16.804 16.731 16.697 16.709 16.773 16.897 17.086 17.339 17.653 18.015 18.407 18.811 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.912 41.054 37.077 33.774 30.999 28.643 26.625 24.885 23.372 22.052 20.895 19.882 18.997 18.230 17.573 16.744 16.647 16.583 16.556 16.569 16.628 16.737 16.898 17.111 17.371 17.670 17.996 18.337 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.926 41.069 37.092 33.789 31.013 28.657 26.639 24.898 23.385 22.065 20.908 19.894 19.009 18.242 17.586 16.697 16.583 16.497 16.441 16.418 16.432 16.486 16.581 16.720 16.901 17.120 17.371 17.646 17.938 18.239 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.939 41.084 37.107 33.803 31.027 28.670 26.652 24.910 23.398 22.077 20.921 19.907 19.021 18.252 17.595 16.660 16.533 16.430 16.353 16.303 16.284 16.298 16.346 16.430 16.550 16.705 16.892 17.106 17.342 17.594 17.857 99999.999 99999.999 99999.999 99999.999 99999.999 45.952 41.099 37.121 33.817 31.041 28.683 26.665 24.923 23.410 22.090 20.933 19.918 19.031 18.261 17.602 16.631 16.493 16.377 16.283 16.214 16.170 16.153 16.166 16.209 16.283 16.388 16.522 16.683 16.867 17.071 17.291 17.523 17.765 99999.999 99999.999 99999.999 45.965 41.113 37.136 33.831 31.054 28.696 26.677 24.935 23.423 22.102 20.945 19.930 19.042 18.270 17.607 16.608 16.462 16.335 16.228 16.142 16.079 16.040 16.026 16.037 16.075 16.141 16.232 16.349 16.489 16.649 16.828 17.021 17.227 17.443 99999.999 99999.999 45.978 41.127 37.150 33.845 31.067 28.709 26.690 24.948 23.435 22.114 20.956 19.941 19.051 18.277 17.611 16.590 16.436 16.300 16.183 16.085 16.007 15.949 15.914 15.901 15.911 15.945 16.002 16.083 16.185 16.308 16.449 16.606 16.777 16.960 17.154 17.357 45.990 41.141 37.164 33.859 31.080 28.722 26.702 24.960 23.446 22.125 20.968 19.951 19.061 18.284 17.614 16.575 16.416 16.273 16.147 16.038 15.948 15.876 15.823 15.791 15.779 15.788 15.818 15.868 15.939 16.030 16.138 16.262 16.401 16.554 16.718 16.892 46.102 41.269 37.292 33.984 31.201 28.838 26.815 25.070 23.555 22.233 21.073 20.053 19.156 18.365 17.672 16.540 16.351 16.174 16.007 15.852 15.707 15.573 15.449 15.335 15.231 15.137 15.053 14.979 14.914 14.858 14.811 14.773 14.745 14.724 14.712 14.709 46.196 41.380 37.405 34.094 31.308 28.940 26.914 25.166 23.649 22.326 21.165 20.144 19.243 18.448 17.745 16.581 16.382 16.193 16.014 15.845 15.684 15.533 15.390 15.255 15.128 15.008 14.896 14.790 14.692 14.600 14.514 14.434 14.360 14.292 14.229 14.172 46.277 41.478 37.506 34.193 31.403 29.032 27.002 25.251 23.732 22.408 21.246 20.224 19.322 18.525 17.818 16.639 16.436 16.243 16.058 15.883 15.717 15.558 15.407 15.264 15.128 14.999 14.876 14.759 14.649 14.544 14.444 14.350 14.260 14.176 14.095 14.019 46.347 41.566 37.597 34.283 31.490 29.115 27.082 25.328 23.807 22.481 21.319 20.296 19.394 18.595 17.887 16.701 16.496 16.300 16.113 15.935 15.766 15.604 15.450 15.303 15.162 15.029 14.901 14.780 14.664 14.553 14.448 14.347 14.251 14.160 14.073 13.989 46.409 41.647 37.681 34.365 31.569 29.192 27.155 25.399 23.876 22.548 21.385 20.362 19.459 18.659 17.951 16.761 16.555 16.358 16.170 15.991 15.820 15.656 15.500 15.351 15.209 15.073 14.943 14.819 14.701 14.588 14.480 14.376 14.277 14.183 14.092 14.006 46.464 41.720 37.758 34.442 31.643 29.263 27.224 25.465 23.939 22.610 21.445 20.421 19.518 18.718 18.009 16.818 16.611 16.414 16.225 16.045 15.873 15.709 15.552 15.402 15.259 15.122 14.991 14.866 14.746 14.631 14.522 14.417 14.317 14.221 14.129 14.041 46.513 41.789 37.831 34.513 31.713 29.330 27.288 25.526 23.999 22.667 21.501 20.476 19.572 18.772 18.063 16.871 16.664 16.466 16.277 16.097 15.925 15.760 15.602 15.452 15.308 15.171 15.039 14.913 14.793 14.678 14.567 14.462 14.361 14.264 14.172 14.083 99999.999 41.854 37.899 34.581 31.779 29.393 27.348 25.584 24.054 22.721 21.553 20.527 19.623 18.822 18.113 16.920 16.713 16.516 16.327 16.146 15.973 15.808 15.651 15.500 15.356 15.218 15.086 14.960 14.839 14.724 14.613 14.507 14.406 14.309 14.216 14.127 LaNO3+2 LaNO3+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 6 -1.000 1 -1.000 2 -1.000 6 1.000 51 1.000 32 1.000 4 92.864 84.877 77.976 71.971 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.864 84.877 77.976 71.971 66.698 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.865 84.877 77.977 71.972 66.699 62.023 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.867 84.879 77.978 71.974 66.700 62.025 57.843 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.870 84.882 77.981 71.976 66.703 62.027 57.846 54.073 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.876 84.887 77.985 71.980 66.707 62.032 57.850 54.078 50.646 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.884 84.894 77.992 71.987 66.713 62.038 57.856 54.084 50.653 47.504 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.895 84.904 78.001 71.995 66.721 62.046 57.865 54.094 50.663 47.516 44.596 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.911 84.918 78.014 72.008 66.733 62.058 57.877 54.106 50.677 47.531 44.615 41.876 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.932 84.936 78.031 72.024 66.749 62.074 57.893 54.123 50.696 47.552 44.640 41.909 39.300 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.959 84.960 78.053 72.045 66.769 62.094 57.914 54.146 50.720 47.579 44.672 41.949 39.357 36.819 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.993 84.990 78.081 72.072 66.796 62.120 57.941 54.174 50.750 47.613 44.712 42.000 39.427 36.927 34.328 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.020 85.014 78.103 72.092 66.816 62.140 57.961 54.195 50.773 47.638 44.742 42.037 39.478 37.003 34.472 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.057 85.047 78.133 72.121 66.844 62.169 57.990 54.225 50.805 47.674 44.784 42.089 39.547 37.103 34.645 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.094 85.079 78.163 72.150 66.872 62.197 58.019 54.255 50.837 47.709 44.824 42.139 39.611 37.195 34.794 30.178 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.131 85.112 78.193 72.178 66.900 62.224 58.047 54.284 50.868 47.743 44.863 42.186 39.672 37.279 34.927 30.799 29.750 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.166 85.143 78.222 72.206 66.927 62.251 58.074 54.312 50.898 47.777 44.901 42.231 39.730 37.357 35.046 31.005 30.125 29.166 28.028 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.202 85.174 78.251 72.234 66.953 62.278 58.101 54.340 50.928 47.809 44.938 42.275 39.784 37.429 35.153 31.147 30.318 29.466 28.562 27.561 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.236 85.205 78.279 72.261 66.980 62.304 58.128 54.368 50.957 47.841 44.973 42.316 39.835 37.496 35.250 31.263 30.460 29.651 28.824 27.962 27.040 26.038 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.271 85.235 78.307 72.287 67.006 62.329 58.154 54.395 50.985 47.871 45.008 42.356 39.884 37.558 35.338 31.362 30.576 29.792 29.002 28.199 27.371 26.506 25.592 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.304 85.265 78.335 72.314 67.031 62.355 58.179 54.421 51.013 47.902 45.041 42.394 39.929 37.616 35.418 31.450 30.677 29.908 29.141 28.370 27.590 26.794 25.973 25.121 24.239 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.337 85.294 78.362 72.339 67.056 62.380 58.205 54.447 51.041 47.931 45.074 42.431 39.973 37.670 35.490 31.530 30.766 30.010 29.258 28.508 27.756 26.998 26.230 25.446 24.643 23.823 22.988 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.370 85.323 78.389 72.365 67.081 62.404 58.229 54.473 51.068 47.960 45.105 42.467 40.015 37.720 35.555 31.604 30.848 30.101 29.360 28.625 27.892 27.159 26.423 25.680 24.928 24.166 23.395 22.617 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.402 85.352 78.416 72.390 67.106 62.429 58.254 54.498 51.094 47.988 45.136 42.502 40.054 37.767 35.614 31.673 30.923 30.183 29.452 28.728 28.009 27.293 26.579 25.863 25.144 24.422 23.694 22.964 22.232 21.501 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.434 85.380 78.442 72.415 67.130 62.453 58.278 54.523 51.120 48.016 45.166 42.535 40.092 37.811 35.668 31.738 30.993 30.260 29.536 28.821 28.113 27.410 26.711 26.014 25.319 24.623 23.926 23.230 22.534 21.840 21.151 99999.999 99999.999 99999.999 99999.999 99999.999 93.465 85.408 78.468 72.440 67.154 62.476 58.302 54.547 51.146 48.043 45.196 42.568 40.128 37.853 35.718 31.799 31.059 30.331 29.613 28.905 28.206 27.513 26.826 26.144 25.465 24.789 24.115 23.443 22.773 22.108 21.447 20.793 20.149 99999.999 99999.999 99999.999 93.496 85.436 78.493 72.464 67.177 62.500 58.325 54.572 51.171 48.070 45.225 42.599 40.163 37.892 35.764 31.857 31.121 30.397 29.685 28.984 28.291 27.607 26.929 26.258 25.592 24.931 24.274 23.620 22.971 22.326 21.687 21.055 20.431 19.818 99999.999 99999.999 93.526 85.463 78.518 72.488 67.201 62.523 58.349 54.595 51.196 48.096 45.253 42.630 40.197 37.930 35.806 31.912 31.179 30.460 29.753 29.056 28.370 27.693 27.023 26.361 25.705 25.056 24.411 23.772 23.138 22.510 21.888 21.273 20.666 20.069 19.483 18.909 93.556 85.489 78.543 72.512 67.224 62.545 58.372 54.619 51.220 48.122 45.280 42.660 40.230 37.966 35.847 31.964 31.235 30.520 29.817 29.125 28.444 27.772 27.109 26.455 25.808 25.167 24.533 23.906 23.284 22.669 22.060 21.459 20.866 20.282 19.708 19.146 93.836 85.740 78.777 72.734 67.439 62.758 58.585 54.836 51.445 48.358 45.531 42.929 40.522 38.285 36.197 32.400 31.692 31.000 30.323 29.659 29.008 28.370 27.743 27.128 26.524 25.930 25.346 24.771 24.205 23.648 23.100 22.561 22.029 21.506 20.992 20.485 94.083 85.964 78.986 72.934 67.633 62.948 58.775 55.028 51.642 48.563 45.746 43.157 40.765 38.546 36.479 32.732 32.037 31.358 30.693 30.044 29.408 28.786 28.176 27.579 26.993 26.418 25.854 25.301 24.757 24.222 23.697 23.181 22.673 22.174 21.682 21.199 94.305 86.167 79.176 73.115 67.809 63.121 58.946 55.201 51.818 48.744 45.935 43.356 40.975 38.769 36.717 33.005 32.318 31.647 30.992 30.351 29.725 29.113 28.514 27.927 27.353 26.789 26.237 25.696 25.165 24.644 24.132 23.629 23.135 22.650 22.172 21.703 94.506 86.352 79.350 73.281 67.970 63.279 59.103 55.358 51.978 48.908 46.105 43.532 41.160 38.964 36.924 33.238 32.557 31.892 31.243 30.609 29.990 29.384 28.792 28.213 27.646 27.091 26.548 26.015 25.492 24.980 24.477 23.983 23.499 23.023 22.555 22.095 94.691 86.522 79.510 73.435 68.119 63.425 59.248 55.503 52.124 49.057 46.258 43.691 41.326 39.138 37.106 33.441 32.764 32.104 31.460 30.831 30.217 29.617 29.030 28.457 27.896 27.346 26.809 26.282 25.766 25.260 24.763 24.277 23.799 23.330 22.869 22.416 94.861 86.680 79.659 73.578 68.257 63.561 59.382 55.637 52.259 49.194 46.398 43.836 41.476 39.295 37.270 33.621 32.948 32.291 31.651 31.026 30.416 29.820 29.238 28.669 28.112 27.567 27.034 26.512 26.001 25.500 25.008 24.527 24.054 23.590 23.135 22.688 95.020 86.827 79.798 73.711 68.387 63.688 59.508 55.762 52.385 49.321 46.528 43.969 41.614 39.437 37.418 33.783 33.113 32.459 31.822 31.200 30.593 30.001 29.422 28.856 28.303 27.762 27.232 26.714 26.207 25.709 25.222 24.744 24.276 23.816 23.365 22.922 99999.999 86.965 79.929 73.836 68.508 63.807 59.625 55.879 52.502 49.440 46.648 44.092 41.740 39.568 37.554 33.930 33.262 32.611 31.976 31.357 30.753 30.163 29.587 29.024 28.474 27.936 27.409 26.894 26.389 25.895 25.411 24.937 24.471 24.015 23.567 23.127 LaH2PO4+2 LaH2PO4+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 3 1.000 1 1.000 27 1.000 51 -10.169 -9.742 -9.576 -9.567 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.169 -9.742 -9.576 -9.567 -9.669 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.168 -9.741 -9.575 -9.567 -9.668 -9.854 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.167 -9.740 -9.574 -9.565 -9.667 -9.853 -10.109 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.164 -9.737 -9.572 -9.563 -9.664 -9.850 -10.107 -10.426 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.160 -9.734 -9.568 -9.560 -9.661 -9.846 -10.102 -10.422 -10.801 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-9.477 -9.750 -10.030 -10.316 -10.608 -11.203 -11.323 -11.444 -11.566 -11.688 -11.810 -11.933 -12.056 -12.180 -12.304 -12.428 -12.553 -12.679 -12.805 -12.932 -13.059 -13.187 -13.315 -13.444 -13.574 -13.704 99999.999 -8.259 -8.071 -8.042 -8.108 -8.239 -8.414 -8.621 -8.849 -9.094 -9.351 -9.616 -9.888 -10.165 -10.446 -11.018 -11.134 -11.250 -11.367 -11.484 -11.601 -11.719 -11.837 -11.955 -12.074 -12.193 -12.313 -12.433 -12.554 -12.675 -12.796 -12.918 -13.041 -13.164 -13.288 -13.412 Ce+2 Ce(+2) P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 5 -1.125 1 -0.125 4 1.000 52 0.125 6 0.500 2 74.752 67.763 61.821 56.711 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.752 67.763 61.821 56.711 52.268 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.752 67.763 61.822 56.711 52.268 48.366 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.753 67.764 61.822 56.712 52.269 48.366 44.908 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.754 67.766 61.824 56.714 52.270 48.368 44.910 41.820 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.757 67.768 61.826 56.716 52.272 48.370 44.912 41.823 39.043 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.760 67.771 61.830 56.719 52.276 48.373 44.915 41.826 39.046 36.528 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.765 67.776 61.834 56.724 52.280 48.378 44.920 41.831 39.051 36.533 34.235 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.772 67.783 61.841 56.731 52.287 48.384 44.926 41.838 39.058 36.540 34.243 32.133 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.780 67.792 61.850 56.739 52.295 48.393 44.935 41.846 39.068 36.550 34.254 32.146 30.205 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.792 67.804 61.862 56.751 52.307 48.404 44.946 41.858 39.080 36.563 34.268 32.162 30.221 28.456 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.807 67.819 61.877 56.765 52.321 48.418 44.961 41.873 39.095 36.579 34.286 32.182 30.244 28.464 26.945 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.818 67.831 61.888 56.777 52.332 48.429 44.972 41.884 39.106 36.592 34.300 32.198 30.262 28.478 26.864 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.834 67.848 61.905 56.793 52.348 48.445 44.987 41.900 39.123 36.609 34.319 32.220 30.288 28.504 26.845 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.850 67.864 61.921 56.808 52.363 48.460 45.003 41.915 39.139 36.626 34.338 32.242 30.314 28.533 26.864 27.359 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.866 67.880 61.937 56.824 52.378 48.475 45.018 41.931 39.155 36.643 34.356 32.263 30.339 28.564 26.898 25.404 25.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.882 67.896 61.952 56.839 52.394 48.490 45.033 41.946 39.171 36.660 34.374 32.284 30.364 28.593 26.936 24.933 24.809 24.935 25.340 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.897 67.912 61.968 56.855 52.409 48.505 45.048 41.961 39.186 36.676 34.392 32.304 30.387 28.622 26.976 24.721 24.426 24.251 24.231 24.374 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.912 67.928 61.984 56.870 52.423 48.520 45.062 41.976 39.202 36.692 34.409 32.323 30.410 28.650 27.014 24.601 24.229 23.928 23.718 23.615 23.615 23.686 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.927 67.944 61.999 56.885 52.438 48.534 45.077 41.991 39.217 36.707 34.425 32.341 30.431 28.675 27.049 24.527 24.111 23.746 23.441 23.207 23.049 22.965 22.934 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.942 67.959 62.014 56.899 52.452 48.548 45.091 42.005 39.231 36.723 34.442 32.359 30.451 28.699 27.081 24.479 24.036 23.632 23.273 22.965 22.712 22.519 22.379 22.283 22.212 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.957 67.974 62.029 56.914 52.467 48.562 45.105 42.019 39.246 36.738 34.458 32.376 30.470 28.721 27.110 24.447 23.986 23.557 23.164 22.809 22.499 22.234 22.015 21.839 21.698 21.582 21.478 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.971 67.989 62.044 56.929 52.481 48.576 45.119 42.033 39.260 36.753 34.473 32.393 30.488 28.741 27.135 24.425 23.952 23.505 23.089 22.705 22.355 22.043 21.769 21.533 21.332 21.161 21.012 20.880 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.986 68.004 62.059 56.943 52.495 48.590 45.133 42.047 39.274 36.767 34.488 32.409 30.505 28.760 27.157 24.412 23.928 23.469 23.037 22.632 22.256 21.911 21.598 21.318 21.070 20.851 20.659 20.487 20.332 20.190 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.000 68.019 62.073 56.957 52.509 48.604 45.146 42.061 39.288 36.782 34.503 32.424 30.521 28.777 27.175 24.404 23.913 23.445 23.000 22.579 22.184 21.816 21.476 21.163 20.880 20.623 20.392 20.184 19.996 19.825 19.668 99999.999 99999.999 99999.999 99999.999 99999.999 75.014 68.034 62.088 56.971 52.523 48.617 45.160 42.074 39.302 36.796 34.518 32.439 30.537 28.792 27.191 24.400 23.903 23.427 22.973 22.542 22.133 21.747 21.386 21.050 20.739 20.453 20.191 19.951 19.733 19.533 19.349 19.180 19.024 99999.999 99999.999 99999.999 75.028 68.048 62.102 56.985 52.536 48.631 45.173 42.088 39.316 36.810 34.532 32.454 30.552 28.807 27.205 24.399 23.898 23.416 22.955 22.514 22.094 21.696 21.319 20.965 20.633 20.324 20.037 19.772 19.527 19.300 19.092 18.899 18.720 18.555 99999.999 99999.999 75.042 68.063 62.116 56.999 52.550 48.644 45.186 42.101 39.329 36.824 34.547 32.468 30.566 28.821 27.218 24.400 23.895 23.409 22.943 22.495 22.067 21.658 21.269 20.901 20.553 20.226 19.919 19.632 19.365 19.116 18.884 18.669 18.469 18.283 18.111 17.951 75.055 68.077 62.130 57.013 52.563 48.657 45.199 42.114 39.343 36.837 34.560 32.483 30.580 28.834 27.230 24.404 23.896 23.406 22.935 22.481 22.046 21.630 21.232 20.852 20.492 20.150 19.827 19.523 19.237 18.969 18.718 18.483 18.263 18.058 17.866 17.688 75.185 68.214 62.266 57.145 52.692 48.783 45.324 42.238 39.468 36.965 34.691 32.616 30.714 28.966 27.355 24.490 23.968 23.462 22.970 22.494 22.031 21.582 21.146 20.723 20.313 19.915 19.529 19.154 18.792 18.440 18.099 17.769 17.450 17.140 16.841 16.552 75.305 68.341 62.392 57.268 52.811 48.900 45.438 42.352 39.582 37.080 34.808 32.735 30.836 29.089 27.477 24.603 24.078 23.567 23.071 22.589 22.120 21.663 21.219 20.787 20.366 19.956 19.556 19.167 18.788 18.418 18.057 17.705 17.362 17.027 16.700 16.381 75.416 68.461 62.511 57.384 52.924 49.010 45.546 42.458 39.688 37.187 34.916 32.845 30.947 29.201 27.591 24.716 24.190 23.678 23.181 22.697 22.226 21.768 21.321 20.886 20.462 20.048 19.645 19.251 18.867 18.492 18.125 17.767 17.417 17.075 16.740 16.412 75.521 68.574 62.624 57.494 53.031 49.114 45.648 42.559 39.787 37.286 35.016 32.945 31.049 29.305 27.696 24.823 24.297 23.785 23.288 22.804 22.332 21.874 21.426 20.991 20.566 20.151 19.747 19.352 18.966 18.590 18.221 17.861 17.509 17.165 16.828 16.498 75.621 68.683 62.733 57.600 53.134 49.214 45.745 42.654 39.881 37.379 35.109 33.039 31.144 29.402 27.794 24.923 24.397 23.886 23.389 22.905 22.434 21.975 21.528 21.093 20.668 20.253 19.849 19.454 19.068 18.691 18.323 17.962 17.610 17.265 16.927 16.597 75.717 68.788 62.837 57.702 53.233 49.310 45.839 42.745 39.971 37.468 35.197 33.128 31.234 29.492 27.886 25.017 24.492 23.981 23.484 23.001 22.530 22.072 21.625 21.190 20.765 20.351 19.947 19.552 19.166 18.790 18.422 18.061 17.709 17.365 17.027 16.697 75.809 68.890 62.939 57.801 53.329 49.403 45.929 42.833 40.057 37.553 35.282 33.212 31.318 29.577 27.972 25.105 24.580 24.070 23.574 23.091 22.621 22.163 21.716 21.281 20.857 20.443 20.039 19.645 19.260 18.884 18.516 18.156 17.805 17.460 17.123 16.794 99999.999 68.989 63.038 57.898 53.422 49.493 46.017 42.919 40.140 37.635 35.363 33.293 31.398 29.658 28.053 25.188 24.664 24.154 23.658 23.175 22.706 22.248 21.802 21.367 20.944 20.530 20.127 19.733 19.348 18.972 18.605 18.246 17.895 17.551 17.215 16.885 Ce+4 Ce+4 P-T:All Charge = 4. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 5 1.125 1 0.125 4 1.000 52 -0.125 6 -0.500 2 26.761 25.329 24.028 22.852 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.761 25.329 24.028 22.852 21.788 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.761 25.329 24.028 22.852 21.788 20.822 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.761 25.329 24.028 22.852 21.788 20.822 19.943 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.761 25.329 24.028 22.852 21.788 20.822 19.943 19.142 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.761 25.329 24.028 22.852 21.787 20.822 19.943 19.141 18.407 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.762 25.329 24.027 22.851 21.787 20.821 19.942 19.140 18.406 17.734 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.762 25.329 24.027 22.851 21.787 20.820 19.941 19.139 18.404 17.732 17.117 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.762 25.329 24.027 22.851 21.786 20.819 19.940 19.137 18.402 17.729 17.113 16.550 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.763 25.329 24.027 22.850 21.785 20.818 19.938 19.135 18.399 17.725 17.108 16.543 16.017 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.764 25.330 24.027 22.850 21.784 20.817 19.936 19.131 18.395 17.720 17.101 16.534 16.008 15.477 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.765 25.330 24.027 22.849 21.783 20.815 19.933 19.128 18.390 17.713 17.092 16.523 15.996 15.485 14.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.766 25.330 24.027 22.849 21.782 20.813 19.931 19.125 18.386 17.709 17.086 16.514 15.985 15.481 14.944 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.767 25.331 24.027 22.848 21.781 20.811 19.928 19.121 18.381 17.702 17.077 16.501 15.968 15.467 14.993 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.769 25.332 24.027 22.847 21.779 20.809 19.925 19.117 18.376 17.695 17.068 16.489 15.952 15.448 14.991 9.653 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.770 25.332 24.027 22.847 21.778 20.808 19.923 19.113 18.371 17.689 17.060 16.477 15.935 15.427 14.970 12.259 10.831 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.772 25.333 24.027 22.846 21.777 20.806 19.920 19.110 18.367 17.683 17.052 16.466 15.920 15.406 14.941 12.886 12.182 11.163 9.768 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.773 25.334 24.027 22.846 21.776 20.804 19.918 19.107 18.362 17.677 17.044 16.456 15.905 15.386 14.910 13.177 12.696 12.078 11.272 10.257 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.775 25.334 24.027 22.845 21.775 20.803 19.915 19.103 18.358 17.672 17.037 16.446 15.892 15.367 14.880 13.347 12.967 12.515 11.963 11.288 10.485 9.590 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.777 25.335 24.027 22.845 21.774 20.801 19.913 19.100 18.354 17.666 17.030 16.437 15.879 15.350 14.852 13.457 13.134 12.766 12.341 11.841 11.257 10.588 9.855 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.778 25.336 24.027 22.845 21.774 20.800 19.911 19.097 18.350 17.661 17.023 16.428 15.868 15.335 14.828 13.534 13.246 12.929 12.575 12.173 11.716 11.198 10.622 9.998 9.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.780 25.337 24.028 22.845 21.773 20.798 19.909 19.094 18.346 17.656 17.017 16.420 15.858 15.321 14.807 13.590 13.325 13.041 12.732 12.391 12.012 11.590 11.123 10.614 10.070 9.503 8.928 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.782 25.338 24.028 22.844 21.772 20.797 19.907 19.092 18.342 17.651 17.011 16.413 15.848 15.310 14.791 13.631 13.384 13.122 12.843 12.541 12.214 11.856 11.464 11.038 10.579 10.094 9.590 9.075 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.784 25.339 24.028 22.844 21.772 20.796 19.905 19.089 18.339 17.647 17.005 16.406 15.840 15.300 14.778 13.663 13.428 13.182 12.925 12.651 12.358 12.043 11.704 11.337 10.944 10.527 10.087 9.632 9.165 8.693 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.786 25.340 24.029 22.844 21.771 20.795 19.903 19.086 18.335 17.642 17.000 16.399 15.833 15.292 14.768 13.686 13.461 13.228 12.986 12.733 12.465 12.181 11.879 11.556 11.212 10.846 10.461 10.059 9.642 9.215 8.780 99999.999 99999.999 99999.999 99999.999 99999.999 26.788 25.341 24.029 22.844 21.770 20.794 19.901 19.084 18.332 17.638 16.995 16.393 15.826 15.285 14.761 13.705 13.487 13.264 13.034 12.795 12.546 12.285 12.010 11.719 11.412 11.087 10.745 10.387 10.014 9.630 9.235 8.833 8.424 99999.999 99999.999 99999.999 26.790 25.342 24.030 22.844 21.770 20.793 19.900 19.081 18.329 17.634 16.990 16.388 15.820 15.279 14.756 13.719 13.507 13.291 13.071 12.844 12.609 12.365 12.111 11.844 11.565 11.271 10.963 10.641 10.306 9.959 9.601 9.234 8.859 8.477 99999.999 99999.999 26.792 25.343 24.030 22.844 21.769 20.792 19.898 19.079 18.326 17.630 16.985 16.382 15.815 15.274 14.752 13.730 13.523 13.313 13.100 12.882 12.659 12.428 12.190 11.942 11.684 11.414 11.133 10.841 10.536 10.221 9.895 9.560 9.217 8.866 8.508 8.144 26.794 25.344 24.031 22.844 21.769 20.791 19.897 19.077 18.323 17.626 16.980 16.377 15.809 15.269 14.749 13.738 13.535 13.330 13.123 12.913 12.698 12.478 12.252 12.019 11.778 11.528 11.268 10.999 10.720 10.431 10.132 9.825 9.510 9.187 8.858 8.522 26.817 25.357 24.038 22.847 21.767 20.784 19.884 19.059 18.297 17.593 16.940 16.330 15.759 15.220 14.707 13.744 13.559 13.376 13.195 13.016 12.837 12.660 12.484 12.308 12.133 11.958 11.783 11.608 11.432 11.256 11.078 10.900 10.720 10.540 10.358 10.174 26.843 25.372 24.047 22.852 21.768 20.781 19.877 19.046 18.279 17.569 16.909 16.293 15.716 15.173 14.660 13.706 13.525 13.347 13.172 12.999 12.829 12.661 12.496 12.333 12.172 12.012 11.855 11.700 11.546 11.393 11.243 11.093 10.945 10.799 10.653 10.509 26.871 25.390 24.059 22.859 21.771 20.780 19.873 19.038 18.266 17.550 16.884 16.263 15.681 15.133 14.616 13.660 13.479 13.302 13.128 12.957 12.789 12.624 12.462 12.302 12.145 11.990 11.838 11.688 11.540 11.395 11.251 11.110 10.971 10.835 10.700 10.567 26.901 25.409 24.072 22.868 21.776 20.782 19.871 19.032 18.256 17.536 16.866 16.239 15.652 15.099 14.578 13.616 13.435 13.257 13.083 12.912 12.744 12.579 12.417 12.257 12.101 11.947 11.796 11.647 11.501 11.358 11.217 11.078 10.942 10.807 10.676 10.546 26.932 25.429 24.086 22.878 21.783 20.786 19.871 19.029 18.250 17.526 16.851 16.220 15.628 15.071 14.546 13.576 13.394 13.215 13.040 12.868 12.699 12.534 12.371 12.211 12.054 11.900 11.749 11.600 11.454 11.310 11.169 11.031 10.895 10.761 10.630 10.501 26.964 25.450 24.102 22.889 21.791 20.790 19.873 19.028 18.246 17.519 16.840 16.205 15.609 15.048 14.518 13.542 13.358 13.178 13.002 12.828 12.659 12.492 12.328 12.168 12.010 11.855 11.703 11.553 11.406 11.262 11.120 10.981 10.845 10.710 10.578 10.449 26.996 25.472 24.118 22.901 21.800 20.796 19.876 19.029 18.243 17.513 16.832 16.193 15.593 15.029 14.495 13.511 13.326 13.145 12.967 12.793 12.622 12.454 12.289 12.128 11.969 11.813 11.660 11.509 11.362 11.216 11.074 10.934 10.796 10.661 10.528 10.398 99999.999 25.493 24.134 22.914 21.809 20.803 19.881 19.030 18.243 17.510 16.825 16.184 15.581 15.013 14.476 13.485 13.299 13.117 12.938 12.762 12.590 12.421 12.255 12.092 11.932 11.775 11.621 11.470 11.321 11.175 11.031 10.890 10.751 10.615 10.481 10.350 CeCO3+ CeCO3+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 3 -1.000 1 1.000 5 1.000 52 2.901 2.928 2.964 3.005 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.901 2.928 2.964 3.005 3.044 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.901 2.928 2.964 3.005 3.044 3.078 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.901 2.928 2.964 3.005 3.044 3.078 3.102 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.901 2.928 2.964 3.004 3.044 3.079 3.102 3.110 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.901 2.928 2.964 3.004 3.044 3.079 3.103 3.111 3.099 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.901 2.927 2.963 3.004 3.045 3.079 3.104 3.112 3.101 3.061 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.901 2.927 2.963 3.004 3.045 3.080 3.105 3.115 3.104 3.067 2.988 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.900 2.926 2.962 3.003 3.045 3.081 3.107 3.118 3.109 3.074 2.999 2.866 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.900 2.925 2.961 3.003 3.045 3.082 3.109 3.122 3.115 3.083 3.013 2.888 2.679 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.899 2.923 2.959 3.002 3.045 3.083 3.112 3.126 3.123 3.094 3.031 2.916 2.725 2.400 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.897 2.920 2.957 3.000 3.044 3.084 3.115 3.132 3.132 3.108 3.052 2.950 2.779 2.496 1.941 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.896 2.918 2.955 2.999 3.044 3.085 3.117 3.137 3.139 3.119 3.068 2.974 2.819 2.562 2.078 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.894 2.915 2.952 2.996 3.043 3.086 3.120 3.142 3.148 3.133 3.089 3.007 2.871 2.649 2.241 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.891 2.911 2.948 2.994 3.042 3.086 3.123 3.148 3.157 3.146 3.109 3.038 2.919 2.726 2.381 1.488 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.888 2.907 2.945 2.991 3.040 3.086 3.125 3.152 3.165 3.159 3.128 3.066 2.962 2.796 2.503 2.150 1.770 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.885 2.903 2.941 2.988 3.039 3.086 3.127 3.157 3.172 3.170 3.146 3.093 3.003 2.859 2.611 2.341 2.150 1.850 1.321 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.881 2.898 2.937 2.985 3.037 3.086 3.128 3.161 3.179 3.181 3.162 3.117 3.040 2.916 2.707 2.468 2.330 2.148 1.890 1.500 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.877 2.893 2.932 2.982 3.035 3.085 3.130 3.164 3.186 3.191 3.177 3.140 3.073 2.968 2.792 2.567 2.456 2.320 2.147 1.916 1.600 1.168 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.872 2.888 2.928 2.978 3.032 3.084 3.131 3.168 3.192 3.201 3.192 3.161 3.104 3.014 2.867 2.651 2.557 2.447 2.313 2.148 1.938 1.667 1.321 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.868 2.883 2.923 2.974 3.030 3.083 3.132 3.171 3.198 3.210 3.205 3.181 3.133 3.056 2.933 2.724 2.643 2.549 2.439 2.308 2.150 1.957 1.720 1.430 1.086 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.863 2.878 2.918 2.970 3.027 3.082 3.132 3.173 3.203 3.219 3.218 3.199 3.159 3.094 2.991 2.789 2.717 2.636 2.541 2.433 2.305 2.155 1.976 1.765 1.516 1.229 0.908 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.857 2.872 2.913 2.966 3.024 3.081 3.132 3.176 3.208 3.226 3.230 3.216 3.183 3.128 3.042 2.848 2.784 2.712 2.630 2.536 2.429 2.305 2.162 1.997 1.806 1.588 1.344 1.075 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.852 2.866 2.908 2.962 3.021 3.079 3.132 3.178 3.212 3.234 3.241 3.231 3.205 3.158 3.086 2.901 2.844 2.780 2.707 2.625 2.532 2.427 2.308 2.172 2.019 1.846 1.653 1.441 1.212 0.970 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.846 2.860 2.902 2.957 3.017 3.077 3.132 3.179 3.216 3.241 3.251 3.246 3.225 3.186 3.125 2.951 2.899 2.841 2.776 2.704 2.622 2.531 2.428 2.313 2.185 2.042 1.885 1.712 1.526 1.329 1.123 99999.999 99999.999 99999.999 99999.999 99999.999 2.840 2.854 2.897 2.953 3.014 3.075 3.132 3.181 3.220 3.247 3.261 3.260 3.243 3.211 3.159 2.997 2.950 2.898 2.839 2.774 2.702 2.621 2.531 2.432 2.322 2.201 2.068 1.924 1.769 1.605 1.433 1.255 1.075 99999.999 99999.999 99999.999 2.833 2.847 2.891 2.948 3.010 3.072 3.131 3.182 3.224 3.253 3.270 3.273 3.261 3.233 3.188 3.039 2.997 2.950 2.897 2.838 2.773 2.701 2.622 2.534 2.438 2.333 2.219 2.095 1.963 1.824 1.677 1.526 1.372 1.217 99999.999 99999.999 2.827 2.840 2.885 2.943 3.006 3.070 3.130 3.183 3.227 3.259 3.279 3.285 3.277 3.254 3.215 3.080 3.041 2.998 2.950 2.897 2.839 2.774 2.703 2.624 2.539 2.447 2.347 2.239 2.124 2.003 1.877 1.746 1.612 1.477 1.343 1.210 2.820 2.834 2.878 2.937 3.002 3.067 3.129 3.184 3.230 3.264 3.287 3.296 3.292 3.273 3.240 3.117 3.083 3.043 3.000 2.952 2.899 2.840 2.776 2.706 2.629 2.547 2.458 2.363 2.262 2.155 2.044 1.929 1.812 1.693 1.574 1.456 2.738 2.755 2.808 2.877 2.953 3.031 3.108 3.179 3.244 3.300 3.347 3.384 3.410 3.426 3.431 3.406 3.395 3.382 3.366 3.348 3.328 3.305 3.279 3.251 3.220 3.187 3.151 3.112 3.071 3.028 2.983 2.936 2.887 2.836 2.785 2.732 2.637 2.661 2.724 2.804 2.892 2.982 3.071 3.157 3.238 3.312 3.378 3.436 3.485 3.526 3.558 3.596 3.599 3.601 3.601 3.599 3.596 3.590 3.584 3.575 3.565 3.553 3.539 3.523 3.506 3.487 3.466 3.444 3.421 3.395 3.369 3.341 2.521 2.555 2.630 2.722 2.821 2.923 3.024 3.123 3.217 3.306 3.388 3.464 3.532 3.592 3.645 3.730 3.743 3.755 3.766 3.775 3.783 3.790 3.795 3.799 3.802 3.803 3.803 3.802 3.799 3.795 3.789 3.782 3.774 3.764 3.753 3.741 2.392 2.440 2.527 2.631 2.742 2.855 2.968 3.078 3.185 3.287 3.383 3.473 3.557 3.634 3.705 3.826 3.847 3.867 3.886 3.904 3.921 3.936 3.951 3.964 3.976 3.987 3.997 4.005 4.013 4.019 4.024 4.027 4.030 4.031 4.031 4.030 2.253 2.317 2.417 2.533 2.656 2.780 2.904 3.025 3.143 3.257 3.366 3.469 3.567 3.658 3.743 3.896 3.923 3.950 3.975 4.000 4.024 4.046 4.068 4.088 4.108 4.126 4.143 4.159 4.175 4.189 4.201 4.213 4.224 4.233 4.242 4.249 2.107 2.187 2.301 2.429 2.564 2.700 2.834 2.966 3.095 3.219 3.339 3.454 3.563 3.667 3.765 3.945 3.978 4.010 4.041 4.071 4.101 4.129 4.156 4.183 4.208 4.233 4.256 4.278 4.300 4.320 4.339 4.357 4.375 4.391 4.406 4.420 1.953 2.051 2.180 2.321 2.467 2.614 2.759 2.901 3.040 3.174 3.304 3.430 3.550 3.665 3.775 3.977 4.015 4.052 4.088 4.123 4.158 4.191 4.223 4.255 4.285 4.315 4.343 4.371 4.397 4.423 4.447 4.471 4.493 4.514 4.535 4.554 99999.999 1.912 2.054 2.208 2.367 2.524 2.680 2.832 2.980 3.124 3.263 3.398 3.529 3.654 3.774 3.997 4.039 4.080 4.121 4.160 4.199 4.236 4.273 4.309 4.343 4.377 4.410 4.442 4.473 4.503 4.532 4.560 4.587 4.612 4.637 4.661 CeHCO3+2 CeHCO3+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 2 1.000 5 1.000 52 -1.863 -1.919 -2.096 -2.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.863 -1.919 -2.096 -2.334 -2.609 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.862 -1.919 -2.095 -2.333 -2.609 -2.912 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.846 -1.906 -2.083 -2.320 -2.594 -2.895 -3.217 -3.558 -3.919 -4.302 -4.717 -5.176 -5.699 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.840 -1.901 -2.078 -2.315 -2.589 -2.888 -3.209 -3.548 -3.907 -4.287 -4.696 -5.147 -5.655 -6.251 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.833 -1.894 -2.072 -2.309 -2.582 -2.880 -3.199 -3.536 -3.892 -4.268 -4.671 -5.110 -5.602 -6.173 -6.886 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.827 -1.889 -2.067 -2.304 -2.576 -2.874 -3.191 -3.527 -3.880 -4.253 -4.651 -5.083 -5.562 -6.114 -6.819 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.819 -1.883 -2.061 -2.297 -2.569 -2.865 -3.181 -3.514 -3.865 -4.234 -4.625 -5.046 -5.509 -6.034 -6.701 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.812 -1.877 -2.055 -2.291 -2.562 -2.857 -3.171 -3.502 -3.850 -4.215 -4.600 -5.012 -5.459 -5.959 -6.584 -6.123 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.805 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-5.714 -6.191 -6.780 -6.914 -7.036 -7.143 -7.239 -7.342 -7.483 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.782 -1.852 -2.030 -2.264 -2.531 -2.821 -3.128 -3.449 -3.783 -4.131 -4.492 -4.866 -5.256 -5.665 -6.116 -6.752 -6.894 -7.030 -7.158 -7.277 -7.393 -7.514 -7.658 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.777 -1.848 -2.026 -2.260 -2.526 -2.815 -3.120 -3.439 -3.772 -4.116 -4.473 -4.842 -5.224 -5.621 -6.049 -6.718 -6.865 -7.007 -7.146 -7.278 -7.407 -7.534 -7.666 -7.813 -7.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.773 -1.844 -2.022 -2.255 -2.521 -2.808 -3.112 -3.430 -3.760 -4.102 -4.455 -4.819 -5.194 -5.581 -5.989 -6.683 -6.831 -6.977 -7.121 -7.261 -7.397 -7.532 -7.666 -7.804 -7.951 -8.112 -8.289 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.769 -1.841 -2.019 -2.251 -2.516 -2.803 -3.105 -3.421 -3.749 -4.089 -4.438 -4.798 -5.167 -5.544 -5.938 -6.648 -6.796 -6.943 -7.089 -7.233 -7.375 -7.514 -7.653 -7.791 -7.932 -8.079 -8.233 -8.395 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.765 -1.837 -2.015 -2.247 -2.512 -2.797 -3.099 -3.413 -3.739 -4.076 -4.422 -4.778 -5.141 -5.512 -5.892 -6.612 -6.760 -6.908 -7.055 -7.200 -7.345 -7.487 -7.629 -7.769 -7.910 -8.052 -8.197 -8.345 -8.496 -8.650 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.761 -1.834 -2.012 -2.244 -2.507 -2.792 -3.092 -3.405 -3.729 -4.063 -4.407 -4.759 -5.117 -5.482 -5.853 -6.577 -6.725 -6.872 -7.019 -7.165 -7.310 -7.455 -7.598 -7.741 -7.882 -8.024 -8.165 -8.307 -8.450 -8.593 -8.735 99999.999 99999.999 99999.999 99999.999 99999.999 -1.758 -1.832 -2.009 -2.241 -2.503 -2.787 -3.086 -3.397 -3.719 -4.051 -4.392 -4.740 -5.095 -5.455 -5.819 -6.543 -6.689 -6.836 -6.982 -7.128 -7.274 -7.419 -7.564 -7.707 -7.850 -7.991 -8.132 -8.273 -8.412 -8.550 -8.686 -8.819 -8.947 99999.999 99999.999 99999.999 -1.756 -1.829 -2.007 -2.237 -2.500 -2.782 -3.080 -3.389 -3.710 -4.039 -4.378 -4.723 -5.074 -5.430 -5.789 -6.510 -6.655 -6.801 -6.946 -7.092 -7.237 -7.382 -7.527 -7.671 -7.814 -7.956 -8.097 -8.237 -8.375 -8.512 -8.645 -8.775 -8.901 -9.021 99999.999 99999.999 -1.753 -1.827 -2.004 -2.235 -2.496 -2.778 -3.074 -3.382 -3.700 -4.028 -4.364 -4.707 -5.055 -5.407 -5.762 -6.477 -6.621 -6.766 -6.910 -7.055 -7.200 -7.345 -7.489 -7.633 -7.776 -7.919 -8.060 -8.200 -8.338 -8.474 -8.607 -8.737 -8.862 -8.982 -9.095 -9.201 -1.751 -1.825 -2.002 -2.232 -2.492 -2.773 -3.068 -3.375 -3.692 -4.017 -4.351 -4.691 -5.036 -5.385 -5.736 -6.446 -6.589 -6.732 -6.875 -7.019 -7.163 -7.307 -7.451 -7.594 -7.737 -7.880 -8.021 -8.161 -8.299 -8.435 -8.569 -8.699 -8.825 -8.946 -9.061 -9.170 -1.745 -1.818 -1.991 -2.215 -2.469 -2.741 -3.025 -3.319 -3.620 -3.927 -4.240 -4.557 -4.878 -5.201 -5.525 -6.177 -6.308 -6.439 -6.570 -6.702 -6.834 -6.966 -7.099 -7.232 -7.365 -7.498 -7.632 -7.765 -7.899 -8.032 -8.164 -8.296 -8.427 -8.557 -8.685 -8.812 -1.763 -1.830 -1.997 -2.215 -2.461 -2.725 -3.000 -3.282 -3.571 -3.864 -4.160 -4.459 -4.761 -5.064 -5.367 -5.973 -6.095 -6.216 -6.337 -6.459 -6.581 -6.703 -6.825 -6.947 -7.069 -7.192 -7.314 -7.437 -7.561 -7.684 -7.807 -7.931 -8.054 -8.178 -8.301 -8.424 -1.800 -1.857 -2.017 -2.227 -2.466 -2.721 -2.988 -3.261 -3.538 -3.819 -4.102 -4.387 -4.672 -4.958 -5.244 -5.815 -5.928 -6.042 -6.156 -6.269 -6.383 -6.496 -6.610 -6.723 -6.837 -6.951 -7.064 -7.178 -7.293 -7.407 -7.522 -7.636 -7.751 -7.866 -7.981 -8.097 -1.851 -1.897 -2.047 -2.249 -2.480 -2.728 -2.987 -3.251 -3.519 -3.789 -4.061 -4.333 -4.605 -4.877 -5.149 -5.689 -5.796 -5.903 -6.010 -6.117 -6.224 -6.331 -6.438 -6.544 -6.651 -6.758 -6.864 -6.971 -7.078 -7.185 -7.292 -7.399 -7.506 -7.614 -7.721 -7.829 -1.915 -1.946 -2.087 -2.281 -2.504 -2.744 -2.994 -3.251 -3.510 -3.771 -4.032 -4.294 -4.554 -4.815 -5.074 -5.588 -5.690 -5.792 -5.893 -5.995 -6.096 -6.197 -6.298 -6.399 -6.500 -6.601 -6.701 -6.802 -6.903 -7.003 -7.104 -7.205 -7.306 -7.407 -7.509 -7.610 -1.989 -2.004 -2.135 -2.319 -2.534 -2.767 -3.010 -3.258 -3.510 -3.762 -4.015 -4.266 -4.517 -4.767 -5.015 -5.506 -5.604 -5.701 -5.798 -5.895 -5.991 -6.088 -6.184 -6.280 -6.376 -6.471 -6.567 -6.663 -6.758 -6.854 -6.950 -7.045 -7.141 -7.237 -7.333 -7.429 -2.071 -2.069 -2.188 -2.364 -2.571 -2.795 -3.031 -3.272 -3.516 -3.761 -4.006 -4.249 -4.491 -4.731 -4.969 -5.441 -5.534 -5.627 -5.720 -5.813 -5.905 -5.997 -6.089 -6.181 -6.273 -6.364 -6.456 -6.547 -6.639 -6.730 -6.821 -6.913 -7.004 -7.095 -7.187 -7.279 99999.999 -2.140 -2.248 -2.414 -2.613 -2.830 -3.058 -3.292 -3.529 -3.767 -4.004 -4.239 -4.473 -4.705 -4.934 -5.388 -5.478 -5.568 -5.657 -5.746 -5.835 -5.923 -6.012 -6.100 -6.188 -6.276 -6.363 -6.451 -6.539 -6.626 -6.714 -6.801 -6.889 -6.977 -7.064 -7.152 CeOH+2 CeOH+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 3 -1.000 1 1.000 2 1.000 52 9.785 8.421 7.273 6.296 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.785 8.421 7.273 6.296 5.456 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.785 8.421 7.273 6.297 5.457 4.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.787 8.423 7.274 6.298 5.458 4.726 4.080 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.789 8.425 7.277 6.300 5.460 4.728 4.082 3.505 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.793 8.428 7.280 6.304 5.463 4.731 4.085 3.508 2.988 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.798 8.434 7.285 6.309 5.468 4.736 4.090 3.513 2.993 2.517 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.805 8.441 7.293 6.316 5.475 4.742 4.096 3.520 3.000 2.524 2.082 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.816 8.452 7.303 6.326 5.485 4.752 4.106 3.529 3.009 2.534 2.093 1.676 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.830 8.466 7.317 6.339 5.497 4.764 4.118 3.542 3.022 2.548 2.107 1.692 1.298 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.848 8.484 7.334 6.356 5.514 4.780 4.134 3.558 3.038 2.565 2.126 1.712 1.320 0.968 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.871 8.507 7.357 6.378 5.535 4.801 4.154 3.578 3.059 2.586 2.149 1.739 1.350 0.988 0.746 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.888 8.525 7.374 6.395 5.551 4.817 4.170 3.594 3.075 2.603 2.167 1.759 1.373 1.009 0.685 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.913 8.551 7.399 6.418 5.574 4.839 4.192 3.616 3.098 2.626 2.192 1.788 1.407 1.045 0.685 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.938 8.576 7.423 6.442 5.597 4.862 4.214 3.638 3.120 2.649 2.217 1.815 1.439 1.082 0.719 3.276 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.962 8.600 7.447 6.465 5.620 4.884 4.236 3.660 3.142 2.672 2.241 1.842 1.471 1.120 0.764 1.520 2.277 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.986 8.625 7.471 6.488 5.642 4.905 4.257 3.681 3.163 2.694 2.264 1.869 1.501 1.157 0.812 1.104 1.371 1.852 2.565 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.010 8.649 7.495 6.511 5.664 4.926 4.278 3.702 3.184 2.715 2.287 1.894 1.531 1.193 0.860 0.921 1.035 1.246 1.585 2.055 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.033 8.673 7.518 6.533 5.685 4.948 4.299 3.722 3.205 2.737 2.310 1.918 1.558 1.227 0.906 0.821 0.866 0.964 1.133 1.387 1.722 2.105 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.057 8.696 7.541 6.555 5.707 4.968 4.319 3.743 3.225 2.758 2.332 1.942 1.585 1.258 0.949 0.763 0.768 0.809 0.893 1.030 1.226 1.476 1.763 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.079 8.720 7.564 6.577 5.728 4.989 4.339 3.763 3.246 2.778 2.353 1.965 1.611 1.288 0.988 0.727 0.708 0.714 0.750 0.821 0.933 1.088 1.282 1.503 1.736 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.102 8.743 7.586 6.599 5.749 5.009 4.359 3.782 3.265 2.798 2.374 1.987 1.635 1.315 1.023 0.705 0.671 0.654 0.660 0.690 0.750 0.842 0.966 1.120 1.295 1.482 1.673 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.124 8.766 7.608 6.620 5.769 5.029 4.379 3.802 3.285 2.818 2.394 2.008 1.658 1.341 1.054 0.693 0.647 0.615 0.600 0.604 0.630 0.680 0.756 0.856 0.980 1.121 1.275 1.434 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.146 8.788 7.630 6.641 5.790 5.049 4.398 3.821 3.304 2.838 2.414 2.029 1.679 1.364 1.081 0.688 0.633 0.590 0.561 0.546 0.549 0.570 0.611 0.673 0.755 0.856 0.972 1.100 1.235 1.375 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.168 8.810 7.652 6.662 5.810 5.069 4.418 3.840 3.323 2.857 2.434 2.049 1.700 1.386 1.105 0.688 0.626 0.575 0.535 0.507 0.492 0.493 0.509 0.543 0.594 0.662 0.745 0.841 0.948 1.064 1.186 99999.999 99999.999 99999.999 99999.999 99999.999 10.189 8.832 7.673 6.683 5.830 5.088 4.437 3.859 3.342 2.876 2.453 2.069 1.720 1.406 1.126 0.691 0.624 0.566 0.518 0.480 0.453 0.438 0.437 0.449 0.477 0.518 0.574 0.643 0.724 0.815 0.914 1.021 1.134 99999.999 99999.999 99999.999 10.211 8.854 7.695 6.704 5.850 5.107 4.455 3.878 3.361 2.895 2.472 2.088 1.740 1.425 1.145 0.696 0.626 0.563 0.508 0.462 0.426 0.400 0.384 0.381 0.390 0.411 0.446 0.492 0.550 0.618 0.695 0.782 0.875 0.976 99999.999 99999.999 10.232 8.876 7.716 6.724 5.869 5.126 4.474 3.896 3.379 2.913 2.491 2.107 1.759 1.444 1.162 0.704 0.630 0.563 0.503 0.451 0.408 0.372 0.347 0.331 0.326 0.331 0.348 0.375 0.414 0.462 0.520 0.587 0.662 0.744 0.834 0.930 10.253 8.897 7.737 6.744 5.889 5.145 4.492 3.914 3.397 2.931 2.509 2.125 1.777 1.462 1.179 0.713 0.637 0.566 0.503 0.446 0.396 0.354 0.320 0.294 0.278 0.271 0.273 0.286 0.308 0.339 0.380 0.429 0.487 0.552 0.624 0.704 10.449 9.101 7.935 6.936 6.074 5.324 4.667 4.085 3.567 3.102 2.681 2.298 1.950 1.633 1.344 0.844 0.756 0.672 0.591 0.513 0.440 0.369 0.302 0.239 0.179 0.123 0.070 0.021 -0.025 -0.067 -0.106 -0.140 -0.171 -0.199 -0.222 -0.242 10.629 9.288 8.119 7.113 6.244 5.488 4.826 4.242 3.722 3.255 2.835 2.453 2.106 1.789 1.499 0.992 0.900 0.812 0.728 0.645 0.566 0.490 0.416 0.344 0.276 0.209 0.145 0.083 0.023 -0.035 -0.091 -0.145 -0.197 -0.247 -0.295 -0.341 10.795 9.463 8.291 7.279 6.404 5.642 4.975 4.387 3.864 3.396 2.975 2.594 2.248 1.931 1.642 1.133 1.041 0.952 0.866 0.783 0.702 0.624 0.548 0.474 0.403 0.333 0.266 0.200 0.137 0.074 0.014 -0.045 -0.103 -0.159 -0.214 -0.268 10.950 9.627 8.453 7.435 6.554 5.787 5.115 4.523 3.997 3.528 3.106 2.724 2.378 2.062 1.774 1.265 1.173 1.084 0.998 0.915 0.834 0.755 0.679 0.604 0.532 0.462 0.394 0.327 0.262 0.199 0.137 0.077 0.017 -0.040 -0.097 -0.153 11.097 9.784 8.607 7.585 6.698 5.925 5.248 4.652 4.123 3.651 3.228 2.846 2.499 2.184 1.896 1.389 1.297 1.208 1.122 1.038 0.957 0.879 0.803 0.728 0.656 0.586 0.518 0.451 0.386 0.323 0.261 0.200 0.141 0.083 0.026 -0.030 11.237 9.934 8.755 7.728 6.835 6.057 5.376 4.775 4.243 3.768 3.343 2.960 2.613 2.298 2.010 1.504 1.412 1.323 1.238 1.154 1.074 0.995 0.919 0.845 0.773 0.703 0.635 0.569 0.504 0.441 0.379 0.319 0.260 0.202 0.145 0.090 11.371 10.079 8.898 7.866 6.968 6.185 5.498 4.893 4.357 3.880 3.453 3.068 2.721 2.405 2.117 1.611 1.520 1.432 1.346 1.263 1.183 1.104 1.029 0.955 0.883 0.814 0.746 0.680 0.615 0.552 0.491 0.431 0.372 0.315 0.259 0.203 99999.999 10.219 9.036 7.999 7.096 6.308 5.617 5.008 4.468 3.988 3.558 3.172 2.823 2.507 2.218 1.713 1.622 1.534 1.448 1.365 1.285 1.207 1.132 1.058 0.987 0.917 0.850 0.784 0.720 0.657 0.596 0.536 0.478 0.421 0.365 0.310 CeO+ CeO+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 3 -2.000 1 1.000 2 1.000 52 18.869 16.410 14.399 12.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.869 16.410 14.399 12.724 11.309 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.869 16.411 14.399 12.725 11.310 10.098 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.871 16.413 14.401 12.726 11.311 10.099 9.048 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.873 16.415 14.403 12.728 11.313 10.102 9.050 8.127 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.877 16.419 14.407 12.732 11.317 10.105 9.054 8.131 7.310 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.883 16.425 14.413 12.738 11.322 10.111 9.060 8.137 7.316 6.576 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.891 16.433 14.421 12.745 11.330 10.118 9.068 8.145 7.325 6.585 5.905 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.903 16.444 14.432 12.756 11.341 10.129 9.078 8.156 7.337 6.598 5.920 5.283 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.918 16.460 14.447 12.771 11.355 10.143 9.093 8.171 7.352 6.615 5.939 5.306 4.706 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.937 16.480 14.466 12.790 11.374 10.162 9.111 8.190 7.373 6.637 5.964 5.335 4.740 4.196 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.962 16.505 14.491 12.814 11.397 10.185 9.135 8.215 7.398 6.665 5.995 5.372 4.784 4.230 3.826 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.982 16.524 14.510 12.832 11.415 10.203 9.154 8.234 7.418 6.686 6.019 5.401 4.818 4.266 3.753 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.009 16.552 14.537 12.859 11.441 10.229 9.179 8.260 7.446 6.716 6.053 5.441 4.867 4.322 3.768 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.036 16.579 14.564 12.885 11.467 10.254 9.205 8.286 7.473 6.745 6.085 5.479 4.915 4.380 3.826 7.313 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.063 16.606 14.590 12.910 11.492 10.279 9.230 8.312 7.500 6.774 6.117 5.516 4.960 4.437 3.900 4.933 5.953 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.089 16.633 14.616 12.936 11.517 10.304 9.255 8.337 7.526 6.801 6.148 5.552 5.004 4.493 3.977 4.368 4.726 5.370 6.309 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.115 16.659 14.642 12.961 11.541 10.328 9.279 8.362 7.552 6.829 6.178 5.586 5.046 4.546 4.052 4.122 4.271 4.552 5.004 5.622 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.140 16.685 14.667 12.985 11.565 10.352 9.303 8.386 7.577 6.856 6.207 5.619 5.085 4.596 4.123 3.991 4.046 4.175 4.399 4.734 5.173 5.664 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.165 16.710 14.692 13.010 11.589 10.375 9.327 8.410 7.602 6.882 6.235 5.651 5.123 4.642 4.188 3.915 3.918 3.968 4.078 4.259 4.517 4.843 5.211 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.190 16.736 14.717 13.034 11.613 10.399 9.350 8.434 7.626 6.907 6.263 5.682 5.158 4.685 4.247 3.871 3.841 3.845 3.889 3.982 4.129 4.332 4.584 4.868 5.161 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.215 16.761 14.741 13.058 11.636 10.422 9.373 8.457 7.650 6.933 6.290 5.712 5.192 4.725 4.300 3.846 3.794 3.768 3.772 3.810 3.888 4.008 4.171 4.370 4.595 4.832 5.069 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.239 16.785 14.765 13.081 11.659 10.444 9.396 8.481 7.674 6.957 6.316 5.740 5.223 4.761 4.346 3.833 3.766 3.720 3.696 3.699 3.731 3.796 3.895 4.026 4.187 4.369 4.565 4.765 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.263 16.810 14.789 13.104 11.682 10.467 9.418 8.503 7.697 6.982 6.342 5.768 5.253 4.795 4.387 3.829 3.751 3.690 3.647 3.625 3.627 3.653 3.707 3.788 3.896 4.027 4.177 4.341 4.513 4.690 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.287 16.834 14.813 13.127 11.704 10.489 9.440 8.526 7.720 7.006 6.367 5.794 5.282 4.825 4.422 3.831 3.745 3.673 3.616 3.577 3.555 3.555 3.576 3.620 3.687 3.776 3.885 4.011 4.150 4.299 4.455 99999.999 99999.999 99999.999 99999.999 99999.999 19.310 16.858 14.837 13.150 11.726 10.511 9.462 8.548 7.743 7.029 6.391 5.820 5.309 4.854 4.452 3.838 3.746 3.665 3.598 3.545 3.507 3.487 3.484 3.500 3.536 3.592 3.666 3.757 3.864 3.983 4.113 4.252 4.400 99999.999 99999.999 99999.999 19.333 16.882 14.860 13.173 11.749 10.533 9.484 8.570 7.765 7.052 6.415 5.845 5.335 4.880 4.480 3.849 3.751 3.664 3.589 3.525 3.475 3.440 3.419 3.414 3.426 3.455 3.501 3.563 3.641 3.732 3.835 3.950 4.074 4.208 99999.999 99999.999 19.356 16.905 14.883 13.195 11.770 10.554 9.505 8.591 7.787 7.075 6.439 5.870 5.360 4.906 4.504 3.862 3.760 3.668 3.586 3.515 3.455 3.408 3.373 3.353 3.346 3.354 3.378 3.416 3.468 3.534 3.612 3.703 3.804 3.916 4.037 4.168 19.379 16.928 14.905 13.217 11.792 10.575 9.526 8.612 7.809 7.097 6.462 5.894 5.384 4.930 4.528 3.877 3.772 3.675 3.588 3.511 3.444 3.387 3.342 3.309 3.288 3.280 3.285 3.303 3.334 3.378 3.435 3.503 3.583 3.673 3.773 3.883 19.592 17.149 15.122 13.428 11.997 10.776 9.725 8.812 8.012 7.306 6.677 6.116 5.612 5.161 4.756 4.072 3.954 3.841 3.734 3.632 3.535 3.444 3.358 3.276 3.200 3.129 3.063 3.002 2.946 2.896 2.850 2.810 2.775 2.745 2.721 2.702 19.786 17.351 15.321 13.622 12.185 10.961 9.907 8.993 8.194 7.491 6.867 6.311 5.814 5.367 4.966 4.281 4.161 4.045 3.935 3.829 3.727 3.629 3.536 3.446 3.360 3.277 3.198 3.122 3.050 2.980 2.914 2.850 2.789 2.731 2.676 2.623 19.965 17.540 15.508 13.803 12.361 11.132 10.075 9.160 8.361 7.659 7.039 6.487 5.994 5.553 5.156 4.477 4.357 4.242 4.132 4.025 3.923 3.825 3.731 3.640 3.552 3.467 3.386 3.307 3.231 3.157 3.086 3.017 2.951 2.886 2.823 2.762 20.132 17.717 15.683 13.973 12.527 11.293 10.233 9.315 8.516 7.814 7.196 6.647 6.158 5.721 5.328 4.657 4.538 4.424 4.315 4.210 4.109 4.011 3.918 3.827 3.740 3.656 3.575 3.496 3.420 3.347 3.275 3.206 3.139 3.073 3.009 2.947 20.289 17.885 15.850 14.136 12.684 11.446 10.382 9.462 8.661 7.959 7.341 6.795 6.309 5.875 5.486 4.822 4.705 4.592 4.484 4.380 4.281 4.185 4.092 4.003 3.917 3.834 3.754 3.676 3.602 3.529 3.459 3.390 3.324 3.260 3.197 3.136 20.438 18.046 16.009 14.291 12.834 11.592 10.524 9.601 8.798 8.095 7.478 6.932 6.448 6.017 5.631 4.974 4.858 4.747 4.640 4.538 4.439 4.344 4.253 4.165 4.081 3.999 3.920 3.844 3.771 3.700 3.631 3.564 3.499 3.436 3.375 3.315 20.581 18.201 16.162 14.440 12.979 11.732 10.660 9.734 8.929 8.225 7.607 7.062 6.579 6.150 5.766 5.114 5.000 4.890 4.784 4.683 4.586 4.492 4.402 4.316 4.232 4.152 4.075 4.000 3.928 3.858 3.790 3.725 3.661 3.600 3.540 3.482 99999.999 18.351 16.310 14.584 13.118 11.867 10.792 9.862 9.054 8.349 7.730 7.185 6.702 6.274 5.892 5.245 5.132 5.023 4.918 4.818 4.722 4.630 4.541 4.455 4.373 4.294 4.218 4.144 4.073 4.004 3.938 3.874 3.812 3.751 3.693 3.636 CeO2H,aq CeO2H(AQ) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 3.000 Ref: Shock07 3 -3.000 1 2.000 2 1.000 52 29.940 26.150 23.124 20.660 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.940 26.150 23.124 20.660 18.624 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.941 26.151 23.125 20.661 18.625 16.923 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.942 26.152 23.126 20.662 18.626 16.924 15.484 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.945 26.155 23.128 20.664 18.629 16.926 15.486 14.254 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.948 26.159 23.132 20.668 18.632 16.930 15.490 14.258 13.193 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.954 26.164 23.138 20.673 18.638 16.935 15.495 14.264 13.199 12.267 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.961 26.172 23.146 20.681 18.645 16.943 15.503 14.272 13.208 12.276 11.444 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.972 26.183 23.156 20.692 18.656 16.954 15.514 14.283 13.220 12.290 11.460 10.702 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.986 26.198 23.171 20.706 18.670 16.968 15.528 14.299 13.236 12.307 11.480 10.727 10.030 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.004 26.217 23.190 20.725 18.688 16.986 15.547 14.318 13.257 12.330 11.506 10.759 10.068 9.443 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.027 26.241 23.214 20.748 18.712 17.009 15.571 14.343 13.283 12.358 11.539 10.799 10.117 9.485 9.006 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.044 26.259 23.232 20.766 18.729 17.027 15.589 14.361 13.303 12.380 11.564 10.830 10.155 9.527 8.939 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.069 26.286 23.258 20.792 18.755 17.052 15.615 14.388 13.331 12.411 11.599 10.872 10.209 9.591 8.967 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.094 26.311 23.284 20.817 18.779 17.077 15.640 14.414 13.358 12.441 11.633 10.913 10.261 9.657 9.039 12.707 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.117 26.336 23.309 20.842 18.804 17.101 15.664 14.439 13.385 12.469 11.666 10.952 10.310 9.722 9.125 10.248 11.310 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.141 26.361 23.333 20.866 18.828 17.125 15.689 14.464 13.411 12.498 11.697 10.990 10.358 9.784 9.214 9.662 10.042 10.715 11.679 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.164 26.386 23.358 20.890 18.851 17.149 15.712 14.489 13.437 12.525 11.728 11.026 10.403 9.842 9.300 9.409 9.572 9.873 10.348 10.988 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.186 26.410 23.382 20.913 18.874 17.172 15.736 14.513 13.462 12.552 11.758 11.060 10.445 9.897 9.380 9.275 9.340 9.484 9.726 10.083 10.541 11.045 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.209 26.433 23.405 20.936 18.897 17.194 15.758 14.536 13.487 12.578 11.787 11.094 10.485 9.947 9.453 9.198 9.210 9.272 9.397 9.596 9.874 10.219 10.602 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.230 26.457 23.428 20.959 18.920 17.217 15.781 14.559 13.511 12.604 11.815 11.125 10.522 9.994 9.519 9.154 9.132 9.146 9.204 9.313 9.478 9.700 9.972 10.273 10.580 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.252 26.479 23.451 20.982 18.942 17.239 15.803 14.582 13.534 12.629 11.842 11.156 10.557 10.036 9.577 9.129 9.085 9.068 9.084 9.137 9.232 9.371 9.553 9.772 10.016 10.271 10.521 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.273 26.502 23.474 21.004 18.964 17.260 15.825 14.604 13.557 12.653 11.868 11.185 10.590 10.075 9.628 9.117 9.057 9.020 9.008 9.024 9.073 9.155 9.273 9.425 9.606 9.809 10.025 10.244 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.294 26.524 23.496 21.025 18.985 17.282 15.846 14.626 13.580 12.677 11.894 11.213 10.621 10.110 9.671 9.114 9.043 8.991 8.959 8.950 8.967 9.010 9.083 9.184 9.313 9.466 9.638 9.824 10.018 10.216 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.314 26.546 23.518 21.047 19.006 17.303 15.867 14.648 13.602 12.701 11.919 11.239 10.650 10.142 9.709 9.117 9.038 8.974 8.928 8.901 8.895 8.911 8.950 9.014 9.102 9.213 9.345 9.494 9.657 9.831 10.012 99999.999 99999.999 99999.999 99999.999 99999.999 30.334 26.568 23.539 21.068 19.027 17.323 15.888 14.669 13.624 12.724 11.943 11.265 10.678 10.172 9.742 9.125 9.039 8.967 8.910 8.870 8.847 8.842 8.858 8.893 8.950 9.028 9.125 9.240 9.372 9.517 9.673 9.840 10.015 99999.999 99999.999 99999.999 30.353 26.589 23.560 21.089 19.048 17.344 15.909 14.690 13.646 12.746 11.967 11.290 10.704 10.199 9.770 9.136 9.045 8.967 8.902 8.851 8.815 8.796 8.793 8.807 8.840 8.891 8.960 9.046 9.148 9.266 9.396 9.539 9.693 9.857 99999.999 99999.999 30.373 26.610 23.581 21.110 19.068 17.364 15.929 14.710 13.667 12.768 11.990 11.315 10.729 10.225 9.796 9.150 9.055 8.971 8.900 8.841 8.796 8.764 8.747 8.745 8.759 8.789 8.835 8.897 8.975 9.067 9.173 9.292 9.423 9.566 9.719 9.884 30.392 26.630 23.602 21.130 19.088 17.384 15.949 14.730 13.688 12.790 12.013 11.338 10.754 10.250 9.820 9.166 9.067 8.980 8.903 8.838 8.785 8.744 8.716 8.702 8.701 8.714 8.742 8.784 8.841 8.911 8.995 9.092 9.202 9.323 9.455 9.599 30.567 26.823 23.795 21.320 19.275 17.568 16.133 14.916 13.879 12.988 12.220 11.555 10.978 10.479 10.049 9.367 9.255 9.152 9.055 8.966 8.884 8.809 8.740 8.678 8.622 8.572 8.528 8.491 8.460 8.434 8.415 8.403 8.396 8.395 8.401 8.413 30.718 26.993 23.968 21.490 19.441 17.732 16.296 15.080 14.046 13.160 12.398 11.740 11.171 10.679 10.254 9.574 9.462 9.356 9.258 9.165 9.079 8.998 8.922 8.852 8.787 8.726 8.670 8.619 8.571 8.528 8.488 8.452 8.420 8.391 8.365 8.343 30.851 27.146 24.124 21.645 19.593 17.881 16.443 15.227 14.194 13.311 12.554 11.902 11.340 10.854 10.435 9.765 9.654 9.549 9.451 9.359 9.273 9.193 9.117 9.046 8.980 8.918 8.860 8.806 8.756 8.709 8.665 8.625 8.587 8.552 8.520 8.490 30.969 27.286 24.268 21.787 19.733 18.018 16.578 15.361 14.328 13.448 12.694 12.046 11.489 11.009 10.596 9.936 9.827 9.724 9.628 9.538 9.453 9.374 9.300 9.230 9.165 9.105 9.048 8.995 8.945 8.899 8.855 8.815 8.777 8.742 8.710 8.679 31.076 27.415 24.401 21.919 19.862 18.145 16.703 15.485 14.452 13.572 12.820 12.176 11.623 11.148 10.740 10.090 9.983 9.882 9.788 9.700 9.617 9.539 9.467 9.399 9.336 9.277 9.222 9.171 9.123 9.078 9.036 8.998 8.962 8.928 8.897 8.868 31.174 27.536 24.525 22.043 19.984 18.264 16.820 15.600 14.566 13.687 12.937 12.295 11.745 11.274 10.870 10.229 10.124 10.025 9.933 9.846 9.765 9.690 9.619 9.553 9.492 9.434 9.381 9.332 9.286 9.243 9.203 9.166 9.132 9.101 9.071 9.044 31.265 27.650 24.643 22.160 20.099 18.377 16.930 15.709 14.674 13.794 13.045 12.404 11.857 11.389 10.989 10.356 10.252 10.155 10.064 9.979 9.900 9.826 9.757 9.693 9.633 9.578 9.526 9.478 9.434 9.393 9.355 9.320 9.288 9.258 9.231 9.206 99999.999 27.758 24.755 22.271 20.208 18.483 17.035 15.812 14.776 13.895 13.146 12.507 11.961 11.495 11.098 10.472 10.369 10.274 10.184 10.101 10.023 9.951 9.883 9.821 9.762 9.708 9.658 9.612 9.570 9.530 9.494 9.461 9.430 9.402 9.376 9.353 CeO2- CeO2- P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 4.000 Ref: Shock07 3 -4.000 1 2.000 2 1.000 52 43.483 38.758 34.911 31.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.483 38.758 34.911 31.724 29.051 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.484 38.759 34.911 31.725 29.051 26.783 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.485 38.760 34.913 31.726 29.052 26.784 24.840 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.487 38.762 34.915 31.728 29.054 26.786 24.842 23.164 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.490 38.766 34.918 31.732 29.057 26.789 24.845 23.167 21.707 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.495 38.771 34.923 31.736 29.062 26.793 24.850 23.171 21.712 20.434 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.502 38.778 34.930 31.743 29.069 26.800 24.856 23.178 21.718 20.440 19.314 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.512 38.788 34.940 31.753 29.078 26.809 24.865 23.187 21.727 20.449 19.323 18.328 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.525 38.802 34.953 31.766 29.091 26.821 24.877 23.198 21.739 20.461 19.335 18.340 17.474 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.541 38.819 34.971 31.782 29.107 26.837 24.892 23.214 21.754 20.476 19.351 18.356 17.486 16.794 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.562 38.841 34.992 31.803 29.127 26.857 24.912 23.233 21.773 20.496 19.371 18.377 17.504 16.775 16.436 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.578 38.858 35.009 31.820 29.143 26.872 24.927 23.248 21.788 20.511 19.387 18.394 17.521 16.776 16.248 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.600 38.882 35.033 31.843 29.165 26.893 24.948 23.269 21.809 20.532 19.409 18.418 17.546 16.791 16.160 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.623 38.905 35.056 31.865 29.187 26.914 24.969 23.289 21.829 20.553 19.431 18.442 17.572 16.814 16.147 21.125 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.644 38.928 35.079 31.887 29.208 26.935 24.989 23.309 21.849 20.573 19.452 18.465 17.598 16.841 16.164 17.602 19.144 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.666 38.951 35.101 31.909 29.229 26.956 25.009 23.329 21.869 20.593 19.473 18.488 17.623 16.870 16.195 16.718 17.285 18.288 19.788 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.686 38.974 35.123 31.930 29.250 26.976 25.029 23.349 21.888 20.612 19.493 18.510 17.648 16.898 16.231 16.300 16.557 17.016 17.743 18.753 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.707 38.996 35.145 31.951 29.270 26.995 25.048 23.368 21.907 20.632 19.513 18.531 17.672 16.925 16.268 16.053 16.167 16.396 16.775 17.335 18.073 18.932 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.727 39.017 35.166 31.972 29.290 27.015 25.067 23.386 21.926 20.650 19.532 18.551 17.694 16.951 16.303 15.890 15.923 16.032 16.237 16.555 17.001 17.569 18.226 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.747 39.038 35.188 31.993 29.310 27.034 25.086 23.405 21.944 20.669 19.551 18.571 17.715 16.975 16.334 15.776 15.758 15.795 15.898 16.079 16.350 16.715 17.168 17.688 18.243 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.766 39.059 35.208 32.013 29.329 27.053 25.104 23.423 21.963 20.687 19.569 18.590 17.735 16.996 16.361 15.693 15.640 15.629 15.668 15.764 15.925 16.157 16.462 16.832 17.255 17.711 18.180 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.785 39.080 35.229 32.033 29.349 27.071 25.122 23.441 21.980 20.705 19.587 18.608 17.754 17.015 16.384 15.631 15.552 15.508 15.503 15.542 15.631 15.775 15.975 16.233 16.542 16.894 17.275 17.673 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.804 39.100 35.249 32.052 29.367 27.090 25.140 23.458 21.998 20.722 19.605 18.626 17.771 17.033 16.403 15.583 15.486 15.417 15.381 15.380 15.418 15.500 15.628 15.802 16.023 16.285 16.583 16.907 17.249 17.601 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.823 39.120 35.269 32.072 29.386 27.108 25.158 23.476 22.015 20.739 19.622 18.642 17.788 17.048 16.418 15.547 15.435 15.347 15.287 15.257 15.259 15.296 15.371 15.485 15.637 15.828 16.054 16.309 16.589 16.886 17.196 99999.999 99999.999 99999.999 99999.999 99999.999 43.841 39.140 35.288 32.091 29.404 27.126 25.175 23.493 22.032 20.756 19.638 18.659 17.803 17.062 16.430 15.519 15.395 15.293 15.215 15.162 15.137 15.141 15.176 15.244 15.345 15.480 15.647 15.843 16.065 16.308 16.569 16.844 17.128 99999.999 99999.999 99999.999 43.859 39.160 35.308 32.109 29.423 27.143 25.192 23.510 22.048 20.773 19.655 18.675 17.818 17.075 16.440 15.498 15.364 15.251 15.158 15.088 15.041 15.020 15.025 15.058 15.120 15.211 15.330 15.477 15.649 15.843 16.058 16.288 16.533 16.789 99999.999 99999.999 43.876 39.179 35.327 32.128 29.440 27.160 25.209 23.526 22.065 20.789 19.671 18.690 17.832 17.087 16.448 15.482 15.340 15.217 15.113 15.029 14.965 14.924 14.906 14.911 14.942 14.998 15.080 15.186 15.316 15.468 15.640 15.830 16.036 16.255 16.485 16.726 43.894 39.198 35.346 32.146 29.458 27.177 25.226 23.542 22.081 20.805 19.687 18.706 17.846 17.099 16.455 15.470 15.322 15.191 15.077 14.981 14.904 14.847 14.810 14.794 14.800 14.829 14.880 14.953 15.048 15.164 15.299 15.452 15.622 15.806 16.003 16.211 44.053 39.374 35.522 32.317 29.623 27.337 25.380 23.694 22.231 20.954 19.834 18.850 17.983 17.221 16.554 15.469 15.289 15.120 14.963 14.816 14.680 14.554 14.439 14.334 14.239 14.154 14.078 14.013 13.957 13.911 13.874 13.847 13.829 13.819 13.819 13.826 44.192 39.531 35.679 32.471 29.771 27.480 25.519 23.829 22.363 21.085 19.964 18.979 18.110 17.343 16.666 15.547 15.356 15.176 15.005 14.843 14.690 14.546 14.410 14.282 14.162 14.049 13.943 13.844 13.752 13.666 13.587 13.513 13.446 13.384 13.327 13.275 44.315 39.673 35.823 32.611 29.906 27.610 25.644 23.950 22.482 21.202 20.081 19.095 18.225 17.456 16.775 15.641 15.446 15.261 15.085 14.917 14.757 14.606 14.462 14.325 14.195 14.072 13.956 13.845 13.740 13.640 13.546 13.457 13.372 13.292 13.217 13.145 44.425 39.802 35.955 32.740 30.031 27.729 25.760 24.062 22.591 21.309 20.187 19.200 18.329 17.560 16.878 15.737 15.540 15.352 15.173 15.003 14.840 14.686 14.538 14.397 14.263 14.136 14.014 13.898 13.788 13.682 13.582 13.486 13.395 13.308 13.225 13.146 44.525 39.923 36.077 32.860 30.147 27.841 25.867 24.166 22.692 21.408 20.284 19.297 18.426 17.655 16.973 15.829 15.631 15.442 15.262 15.090 14.926 14.770 14.621 14.478 14.342 14.212 14.088 13.970 13.857 13.749 13.646 13.547 13.453 13.363 13.277 13.194 44.617 40.035 36.193 32.973 30.257 27.947 25.969 24.264 22.787 21.500 20.375 19.386 18.514 17.744 17.061 15.916 15.718 15.528 15.347 15.175 15.010 14.853 14.703 14.559 14.422 14.292 14.166 14.047 13.933 13.824 13.719 13.619 13.524 13.432 13.344 13.260 44.702 40.142 36.302 33.081 30.360 28.047 26.065 24.357 22.876 21.587 20.460 19.470 18.597 17.826 17.143 15.998 15.799 15.609 15.428 15.255 15.090 14.933 14.782 14.638 14.501 14.369 14.244 14.124 14.009 13.899 13.794 13.694 13.597 13.505 13.417 13.333 99999.999 40.243 36.407 33.183 30.460 28.142 26.156 24.445 22.961 21.670 20.540 19.548 18.675 17.903 17.220 16.074 15.875 15.686 15.504 15.331 15.166 15.008 14.858 14.714 14.576 14.444 14.318 14.198 14.083 13.973 13.868 13.767 13.670 13.578 13.490 13.405 CeClO4+2 CeClO4+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 5 1.000 1 1.000 4 -1.000 6 1.000 3 1.000 52 166.101 152.116 140.062 129.588 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 166.101 152.116 140.062 129.588 120.397 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 166.102 152.117 140.063 129.589 120.398 112.257 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 166.104 152.119 140.064 129.590 120.400 112.259 104.981 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 166.108 152.122 140.067 129.593 120.403 112.262 104.984 98.424 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 166.113 152.127 140.072 129.598 120.407 112.266 104.989 98.429 92.466 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 166.122 152.134 140.079 129.605 120.414 112.273 104.997 98.437 92.475 87.007 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 166.134 152.145 140.089 129.614 120.424 112.283 105.007 98.448 92.487 87.022 81.958 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 166.150 152.159 140.102 129.627 120.437 112.296 105.021 98.464 92.505 87.042 81.984 77.239 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 166.171 152.178 140.120 129.645 120.454 112.314 105.040 98.484 92.528 87.070 82.018 77.285 72.773 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 166.199 152.203 140.144 129.667 120.477 112.337 105.064 98.511 92.558 87.104 82.061 77.343 72.859 68.475 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 166.235 152.235 140.174 129.696 120.505 112.367 105.095 98.544 92.595 87.148 82.116 77.415 72.962 68.643 64.165 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 166.262 152.259 140.196 129.718 120.527 112.389 105.119 98.570 92.624 87.181 82.156 77.469 73.038 68.761 64.400 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 166.301 152.294 140.229 129.749 120.558 112.421 105.152 98.606 92.664 87.227 82.212 77.541 73.140 68.915 64.677 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 166.339 152.328 140.260 129.780 120.589 112.452 105.185 98.641 92.703 87.272 82.266 77.611 73.234 69.055 64.914 56.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 166.376 152.361 140.291 129.810 120.619 112.482 105.217 98.675 92.740 87.315 82.318 77.676 73.323 69.183 65.122 57.986 56.198 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 166.412 152.393 140.322 129.840 120.648 112.512 105.248 98.709 92.777 87.357 82.368 77.738 73.405 69.300 65.308 58.320 56.807 55.167 53.246 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 166.448 152.425 140.352 129.869 120.677 112.541 105.278 98.741 92.813 87.398 82.416 77.798 73.483 69.407 65.475 58.547 57.119 55.654 54.106 52.407 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 166.483 152.457 140.382 129.898 120.705 112.570 105.308 98.774 92.848 87.438 82.462 77.854 73.555 69.506 65.624 58.728 57.344 55.951 54.529 53.053 51.484 49.789 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 166.518 152.488 140.411 129.926 120.733 112.599 105.338 98.805 92.883 87.476 82.506 77.908 73.623 69.598 65.758 58.882 57.527 56.174 54.814 53.434 52.017 50.541 48.990 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 166.552 152.518 140.439 129.953 120.761 112.626 105.367 98.836 92.916 87.513 82.550 77.960 73.688 69.682 65.879 59.018 57.683 56.357 55.035 53.709 52.368 51.003 49.601 48.154 46.660 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 166.585 152.548 140.468 129.981 120.787 112.654 105.395 98.866 92.949 87.550 82.591 78.009 73.748 69.759 65.987 59.140 57.821 56.515 55.219 53.927 52.633 51.331 50.014 48.674 47.307 45.916 44.504 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 166.618 152.578 140.495 130.007 120.814 112.681 105.423 98.895 92.981 87.585 82.632 78.056 73.805 69.831 66.084 59.251 57.945 56.655 55.378 54.110 52.848 51.587 50.322 49.048 47.763 46.464 45.153 43.834 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 166.650 152.607 140.523 130.034 120.840 112.707 105.450 98.924 93.012 87.620 82.671 78.102 73.859 69.897 66.170 59.354 58.058 56.781 55.519 54.270 53.031 51.799 50.570 49.340 48.108 46.871 45.630 44.386 43.143 41.907 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 166.682 152.635 140.549 130.060 120.866 112.733 105.477 98.953 93.043 87.654 82.709 78.145 73.910 69.959 66.249 59.450 58.163 56.896 55.647 54.413 53.192 51.981 50.778 49.580 48.385 47.192 46.000 44.809 43.623 42.443 41.275 99999.999 99999.999 99999.999 99999.999 99999.999 166.713 152.664 140.576 130.085 120.891 112.758 105.504 98.981 93.073 87.687 82.746 78.187 73.959 70.016 66.319 59.540 58.261 57.003 55.764 54.543 53.336 52.142 50.958 49.784 48.616 47.455 46.299 45.148 44.003 42.867 41.742 40.631 39.539 99999.999 99999.999 99999.999 166.744 152.691 140.602 130.110 120.916 112.784 105.530 99.008 93.103 87.719 82.782 78.228 74.006 70.070 66.384 59.624 58.352 57.103 55.873 54.661 53.466 52.286 51.119 49.963 48.816 47.679 46.550 45.429 44.316 43.213 42.122 41.044 39.983 38.942 99999.999 99999.999 166.774 152.719 140.628 130.135 120.940 112.808 105.555 99.035 93.132 87.751 82.817 78.267 74.050 70.122 66.444 59.705 58.439 57.196 55.974 54.772 53.587 52.418 51.264 50.122 48.993 47.875 46.767 45.669 44.581 43.504 42.439 41.388 40.353 39.336 38.339 37.365 166.803 152.745 140.653 130.160 120.965 112.833 105.580 99.061 93.160 87.782 82.851 78.306 74.093 70.171 66.500 59.781 58.521 57.284 56.069 54.874 53.698 52.539 51.396 50.267 49.152 48.049 46.958 45.878 44.810 43.754 42.711 41.681 40.667 39.670 38.691 37.734 167.076 152.994 140.887 130.386 121.188 113.058 105.811 99.303 93.418 88.061 83.157 78.644 74.470 70.593 66.975 60.399 59.174 57.976 56.804 55.655 54.530 53.426 52.344 51.280 50.236 49.210 48.201 47.208 46.232 45.271 44.325 43.395 42.478 41.577 40.690 39.817 167.311 153.211 141.093 130.585 121.384 113.254 106.012 99.512 93.637 88.296 83.412 78.922 74.775 70.928 67.346 60.854 59.649 58.473 57.323 56.198 55.098 54.021 52.966 51.932 50.918 49.924 48.948 47.991 47.050 46.126 45.218 44.326 43.448 42.585 41.737 40.901 167.517 153.402 141.275 130.762 121.559 113.429 106.189 99.695 93.829 88.499 83.629 79.157 75.030 71.206 67.649 61.217 60.026 58.864 57.728 56.619 55.535 54.474 53.436 52.420 51.425 50.451 49.495 48.558 47.638 46.736 45.850 44.980 44.126 43.286 42.460 41.648 167.699 153.573 141.439 130.921 121.715 113.586 106.348 99.858 93.999 88.678 83.819 79.361 75.250 71.444 67.906 61.519 60.338 59.186 58.061 56.963 55.890 54.841 53.815 52.812 51.830 50.868 49.926 49.003 48.098 47.211 46.340 45.485 44.646 43.822 43.012 42.216 167.862 153.727 141.586 131.065 121.857 113.728 106.492 100.005 94.151 88.837 83.988 79.540 75.442 71.650 68.129 61.777 60.604 59.459 58.343 57.253 56.189 55.149 54.132 53.138 52.166 51.214 50.282 49.369 48.475 47.598 46.738 45.894 45.066 44.254 43.456 42.672 168.009 153.867 141.721 131.196 121.987 113.857 106.623 100.138 94.289 88.981 84.139 79.700 75.612 71.832 68.323 62.001 60.834 59.696 58.586 57.503 56.445 55.412 54.403 53.416 52.451 51.507 50.583 49.678 48.792 47.923 47.072 46.237 45.417 44.613 43.824 43.049 168.143 153.996 141.844 131.316 122.106 113.976 106.743 100.261 94.415 89.111 84.275 79.844 75.765 71.994 68.497 62.198 61.036 59.903 58.799 57.721 56.669 55.642 54.639 53.658 52.699 51.761 50.843 49.944 49.065 48.202 47.357 46.529 45.717 44.919 44.137 43.369 99999.999 154.115 141.958 131.427 122.215 114.086 106.853 100.373 94.530 89.231 84.400 79.975 75.903 72.141 68.652 62.373 61.216 60.088 58.988 57.915 56.867 55.845 54.846 53.870 52.916 51.983 51.071 50.177 49.302 48.446 47.606 46.783 45.976 45.184 44.407 43.645 CeNO3+2 CeNO3+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 6 -1.000 1 -1.000 2 -1.000 6 1.000 52 1.000 32 1.000 4 92.108 84.144 77.251 71.246 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.108 84.144 77.251 71.246 65.965 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.110 84.145 77.252 71.247 65.966 61.279 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.112 84.146 77.253 71.248 65.968 61.281 57.083 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.115 84.150 77.256 71.251 65.970 61.283 57.086 53.294 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.121 84.155 77.261 71.256 65.975 61.288 57.090 53.299 49.844 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.130 84.163 77.269 71.263 65.982 61.295 57.097 53.306 49.852 46.678 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.143 84.174 77.279 71.273 65.991 61.304 57.107 53.316 49.864 46.691 43.743 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.160 84.189 77.293 71.286 66.005 61.318 57.121 53.331 49.879 46.708 43.764 40.994 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.182 84.209 77.312 71.304 66.022 61.335 57.139 53.350 49.900 46.731 43.791 41.029 38.390 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.212 84.236 77.336 71.328 66.045 61.358 57.162 53.374 49.926 46.761 43.826 41.073 38.451 35.891 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.250 84.269 77.368 71.357 66.074 61.387 57.192 53.406 49.960 46.798 43.870 41.128 38.525 35.998 33.418 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.279 84.295 77.392 71.380 66.097 61.410 57.215 53.430 49.986 46.827 43.903 41.170 38.580 36.076 33.534 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.320 84.332 77.426 71.413 66.129 61.442 57.248 53.463 50.022 46.867 43.950 41.227 38.654 36.181 33.697 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.360 84.368 77.459 71.445 66.160 61.473 57.279 53.496 50.057 46.906 43.994 41.281 38.725 36.279 33.847 30.233 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.400 84.403 77.493 71.477 66.191 61.504 57.311 53.529 50.092 46.943 44.038 41.333 38.791 36.370 33.986 30.232 29.473 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.439 84.438 77.525 71.508 66.221 61.534 57.341 53.561 50.125 46.980 44.079 41.383 38.854 36.455 34.113 30.290 29.528 28.762 27.911 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.477 84.473 77.557 71.539 66.251 61.564 57.372 53.592 50.159 47.016 44.120 41.431 38.914 36.533 34.229 30.366 29.601 28.846 28.085 27.280 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.515 84.507 77.589 71.569 66.281 61.593 57.401 53.623 50.191 47.052 44.159 41.477 38.970 36.606 34.334 30.443 29.680 28.929 28.184 27.435 26.659 25.826 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.553 84.540 77.620 71.599 66.310 61.622 57.431 53.653 50.223 47.086 44.198 41.521 39.023 36.674 34.430 30.518 29.758 29.011 28.274 27.541 26.806 26.055 25.271 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.589 84.574 77.651 71.628 66.338 61.650 57.459 53.683 50.254 47.120 44.235 41.563 39.074 36.738 34.517 30.589 29.834 29.091 28.359 27.635 26.917 26.197 25.469 24.722 23.952 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.626 84.606 77.682 71.657 66.367 61.678 57.488 53.712 50.285 47.153 44.271 41.604 39.122 36.796 34.596 30.658 29.906 29.167 28.440 27.723 27.014 26.310 25.607 24.900 24.184 23.456 22.717 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.661 84.638 77.712 71.686 66.395 61.706 57.516 53.741 50.315 47.185 44.306 41.644 39.168 36.851 34.667 30.724 29.976 29.241 28.518 27.806 27.104 26.409 25.720 25.034 24.347 23.658 22.965 22.269 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.697 84.670 77.741 71.714 66.422 61.733 57.543 53.769 50.345 47.217 44.341 41.682 39.211 36.902 34.731 30.787 30.042 29.311 28.592 27.885 27.188 26.500 25.820 25.147 24.478 23.811 23.146 22.482 21.821 21.163 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.731 84.702 77.771 71.742 66.450 61.760 57.570 53.797 50.374 47.248 44.374 41.719 39.253 36.950 34.789 30.848 30.106 29.378 28.663 27.959 27.267 26.585 25.912 25.247 24.589 23.937 23.289 22.647 22.009 21.376 20.752 99999.999 99999.999 99999.999 99999.999 99999.999 92.766 84.733 77.800 71.770 66.476 61.787 57.597 53.825 50.403 47.278 44.407 41.755 39.292 36.995 34.842 30.906 30.167 29.442 28.730 28.031 27.343 26.666 25.998 25.340 24.690 24.047 23.411 22.782 22.160 21.545 20.938 20.341 19.755 99999.999 99999.999 99999.999 92.800 84.763 77.828 71.797 66.503 61.813 57.624 53.852 50.431 47.308 44.439 41.790 39.331 37.038 34.890 30.962 30.226 29.504 28.795 28.099 27.415 26.742 26.079 25.426 24.782 24.146 23.519 22.900 22.289 21.686 21.091 20.507 19.934 19.373 99999.999 99999.999 92.833 84.793 77.856 71.824 66.529 61.839 57.650 53.878 50.459 47.337 44.471 41.824 39.368 37.079 34.936 31.016 30.282 29.563 28.857 28.164 27.483 26.814 26.155 25.507 24.868 24.238 23.618 23.006 22.402 21.808 21.223 20.648 20.084 19.531 18.992 18.468 92.866 84.823 77.884 71.851 66.555 61.865 57.676 53.905 50.486 47.366 44.501 41.857 39.404 37.118 34.979 31.069 30.337 29.620 28.917 28.227 27.549 26.883 26.228 25.584 24.949 24.324 23.709 23.103 22.505 21.918 21.339 20.771 20.214 19.668 19.135 18.614 93.173 85.103 78.147 72.102 66.799 62.105 57.916 54.150 50.739 47.631 44.782 42.157 39.726 37.466 35.356 31.519 30.804 30.105 29.421 28.752 28.096 27.453 26.822 26.203 25.595 24.999 24.413 23.837 23.270 22.714 22.167 21.629 21.101 20.581 20.071 19.570 93.446 85.354 78.383 72.328 67.018 62.321 58.132 54.368 50.962 47.862 45.024 42.413 39.998 37.756 35.666 31.876 31.172 30.485 29.813 29.156 28.513 27.883 27.266 26.662 26.069 25.488 24.918 24.358 23.808 23.268 22.738 22.216 21.703 21.199 20.703 20.216 93.692 85.583 78.599 72.534 67.219 62.518 58.327 54.564 51.162 48.068 45.238 42.637 40.234 38.006 35.931 32.175 31.479 30.800 30.136 29.487 28.853 28.233 27.625 27.031 26.448 25.878 25.318 24.769 24.230 23.702 23.182 22.672 22.171 21.679 21.194 20.718 93.916 85.792 78.797 72.725 67.403 62.699 58.507 54.744 51.345 48.255 45.431 42.837 40.443 38.225 36.162 32.433 31.743 31.069 30.412 29.770 29.142 28.528 27.928 27.341 26.766 26.202 25.651 25.110 24.579 24.059 23.548 23.046 22.554 22.070 21.594 21.126 94.121 85.985 78.981 72.901 67.575 62.867 58.673 54.910 51.512 48.425 45.605 43.017 40.631 38.421 36.368 32.660 31.974 31.305 30.653 30.015 29.393 28.785 28.190 27.608 27.039 26.481 25.935 25.400 24.876 24.362 23.858 23.363 22.877 22.399 21.930 21.470 94.312 86.165 79.152 73.066 67.735 63.024 58.828 55.065 51.667 48.582 45.766 43.182 40.802 38.599 36.553 32.862 32.180 31.515 30.867 30.233 29.615 29.011 28.420 27.843 27.278 26.725 26.184 25.654 25.134 24.625 24.126 23.636 23.155 22.683 22.220 21.764 94.490 86.334 79.313 73.221 67.885 63.171 58.974 55.209 51.812 48.729 45.915 43.335 40.959 38.761 36.721 33.045 32.366 31.704 31.059 30.429 29.814 29.213 28.626 28.052 27.491 26.942 26.405 25.878 25.363 24.857 24.362 23.876 23.400 22.932 22.472 22.021 99999.999 86.494 79.465 73.366 68.027 63.310 59.111 55.345 51.948 48.866 46.054 43.477 41.104 38.911 36.876 33.211 32.535 31.876 31.233 30.606 29.994 29.396 28.812 28.241 27.683 27.137 26.602 26.079 25.567 25.065 24.573 24.090 23.617 23.152 22.696 22.249 CeH2PO4+2 CeH2PO4+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 3 1.000 1 1.000 27 1.000 52 -10.070 -9.668 -9.535 -9.562 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.070 -9.668 -9.535 -9.562 -9.700 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.069 -9.668 -9.534 -9.561 -9.699 -9.923 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 -9.768 -9.381 -9.254 -9.282 -9.414 -9.625 -9.898 -10.224 -10.599 -11.018 -11.481 -11.990 -12.548 -13.170 -13.907 -14.979 -15.269 -15.572 -15.896 -16.259 -16.698 -17.260 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.741 -9.354 -9.228 -9.256 -9.388 -9.597 -9.869 -10.193 -10.564 -10.978 -11.434 -11.932 -12.475 -13.072 -13.760 -14.862 -15.143 -15.435 -15.740 -16.067 -16.428 -16.844 -17.338 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.715 -9.329 -9.203 -9.231 -9.362 -9.571 -9.841 -10.162 -10.529 -10.939 -11.388 -11.877 -12.406 -12.981 -13.629 -14.752 -15.024 -15.306 -15.599 -15.906 -16.233 -16.589 -16.985 -17.435 -17.946 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.688 -9.303 -9.178 -9.206 -9.337 -9.544 -9.813 -10.132 -10.496 -10.901 -11.344 -11.825 -12.341 -12.897 -13.511 -14.647 -14.912 -15.186 -15.468 -15.761 -16.068 -16.393 -16.742 -17.121 -17.537 -17.994 -18.489 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.663 -9.278 -9.153 -9.181 -9.312 -9.518 -9.785 -10.102 -10.463 -10.864 -11.302 -11.774 -12.280 -12.820 -13.406 -14.549 -14.807 -15.072 -15.346 -15.628 -15.921 -16.227 -16.548 -16.889 -17.252 -17.641 -18.057 -18.496 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.637 -9.253 -9.129 -9.157 -9.287 -9.493 -9.758 -10.073 -10.431 -10.828 -11.261 -11.726 -12.222 -12.749 -13.313 -14.455 -14.707 -14.965 -15.231 -15.504 -15.786 -16.078 -16.381 -16.698 -17.029 -17.378 -17.744 -18.127 -18.524 -18.931 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.613 -9.229 -9.105 -9.133 -9.263 -9.468 -9.731 -10.044 -10.399 -10.793 -11.220 -11.680 -12.168 -12.683 -13.230 -14.366 -14.612 -14.864 -15.122 -15.387 -15.660 -15.941 -16.231 -16.531 -16.842 -17.164 -17.498 -17.845 -18.201 -18.565 -18.932 99999.999 99999.999 99999.999 99999.999 99999.999 -9.588 -9.205 -9.081 -9.109 -9.239 -9.443 -9.705 -10.016 -10.368 -10.758 -11.181 -11.635 -12.116 -12.622 -13.155 -14.280 -14.521 -14.767 -15.019 -15.277 -15.542 -15.814 -16.093 -16.380 -16.676 -16.980 -17.293 -17.614 -17.943 -18.277 -18.613 -18.949 -19.280 99999.999 99999.999 99999.999 -9.564 -9.181 -9.058 -9.086 -9.215 -9.418 -9.679 -9.988 -10.338 -10.724 -11.144 -11.592 -12.067 -12.565 -13.087 -14.199 -14.435 -14.675 -14.922 -15.173 -15.431 -15.695 -15.965 -16.242 -16.526 -16.817 -17.114 -17.417 -17.726 -18.039 -18.353 -18.667 -18.977 -19.281 99999.999 99999.999 -9.541 -9.158 -9.035 -9.063 -9.192 -9.394 -9.654 -9.961 -10.308 -10.691 -11.106 -11.550 -12.019 -12.511 -13.025 -14.120 -14.352 -14.588 -14.829 -15.074 -15.326 -15.583 -15.845 -16.114 -16.388 -16.668 -16.953 -17.243 -17.537 -17.834 -18.132 -18.430 -18.724 -19.014 -19.295 -19.566 -9.518 -9.135 -9.012 -9.040 -9.169 -9.370 -9.629 -9.934 -10.279 -10.659 -11.070 -11.510 -11.974 -12.460 -12.966 -14.045 -14.272 -14.504 -14.740 -14.980 -15.226 -15.476 -15.732 -15.993 -16.259 -16.530 -16.805 -17.084 -17.367 -17.652 -17.938 -18.223 -18.506 -18.785 -19.057 -19.320 -9.307 -8.921 -8.799 -8.827 -8.953 -9.148 -9.397 -9.686 -10.011 -10.365 -10.746 -11.148 -11.571 -12.010 -12.464 -13.414 -13.610 -13.809 -14.011 -14.215 -14.421 -14.631 -14.842 -15.056 -15.273 -15.492 -15.714 -15.938 -16.163 -16.390 -16.619 -16.848 -17.078 -17.308 -17.538 -17.767 -9.127 -8.733 -8.610 -8.637 -8.760 -8.951 -9.191 -9.470 -9.780 -10.115 -10.472 -10.848 -11.241 -11.647 -12.064 -12.929 -13.106 -13.285 -13.466 -13.648 -13.831 -14.017 -14.204 -14.392 -14.583 -14.774 -14.968 -15.163 -15.359 -15.557 -15.757 -15.957 -16.159 -16.361 -16.565 -16.769 -8.972 -8.565 -8.439 -8.464 -8.585 -8.772 -9.006 -9.277 -9.575 -9.896 -10.236 -10.591 -10.960 -11.341 -11.731 -12.533 -12.697 -12.862 -13.027 -13.194 -13.362 -13.531 -13.702 -13.873 -14.045 -14.219 -14.394 -14.570 -14.747 -14.925 -15.104 -15.285 -15.466 -15.649 -15.832 -16.017 -8.837 -8.414 -8.283 -8.306 -8.425 -8.608 -8.838 -9.102 -9.391 -9.701 -10.026 -10.366 -10.717 -11.077 -11.445 -12.199 -12.352 -12.506 -12.661 -12.816 -12.973 -13.130 -13.287 -13.446 -13.606 -13.766 -13.927 -14.089 -14.252 -14.416 -14.580 -14.746 -14.912 -15.080 -15.248 -15.417 -8.718 -8.277 -8.140 -8.160 -8.277 -8.457 -8.683 -8.941 -9.223 -9.524 -9.839 -10.165 -10.501 -10.845 -11.195 -11.910 -12.055 -12.200 -12.346 -12.493 -12.640 -12.787 -12.936 -13.085 -13.234 -13.384 -13.535 -13.686 -13.838 -13.991 -14.145 -14.299 -14.454 -14.609 -14.766 -14.923 -8.611 -8.150 -8.008 -8.025 -8.139 -8.317 -8.539 -8.793 -9.069 -9.362 -9.668 -9.984 -10.308 -10.638 -10.973 -11.656 -11.794 -11.932 -12.071 -12.210 -12.350 -12.490 -12.631 -12.772 -12.913 -13.055 -13.198 -13.341 -13.484 -13.628 -13.773 -13.918 -14.064 -14.211 -14.358 -14.506 -8.515 -8.033 -7.885 -7.899 -8.010 -8.186 -8.405 -8.654 -8.926 -9.213 -9.512 -9.819 -10.132 -10.451 -10.774 -11.430 -11.562 -11.695 -11.828 -11.961 -12.094 -12.228 -12.363 -12.497 -12.632 -12.767 -12.903 -13.039 -13.176 -13.313 -13.451 -13.589 -13.728 -13.867 -14.007 -14.147 99999.999 -7.923 -7.769 -7.780 -7.889 -8.062 -8.278 -8.525 -8.792 -9.074 -9.366 -9.666 -9.972 -10.281 -10.594 -11.226 -11.354 -11.481 -11.609 -11.738 -11.866 -11.995 -12.124 -12.253 -12.382 -12.512 -12.643 -12.773 -12.904 -13.036 -13.167 -13.300 -13.433 -13.566 -13.700 -13.834 Pr+2 Pr(+2) P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 5 -1.125 1 -0.125 4 1.000 53 0.125 6 0.500 2 61.323 55.448 50.459 46.171 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.323 55.448 50.459 46.171 42.445 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.324 55.449 50.459 46.171 42.445 39.175 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.325 55.450 50.460 46.172 42.446 39.175 36.278 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.326 55.451 50.461 46.173 42.447 39.177 36.279 33.692 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.328 55.453 50.463 46.175 42.449 39.179 36.281 33.694 31.365 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.331 55.456 50.466 46.178 42.452 39.181 36.284 33.696 31.368 29.258 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.336 55.460 50.470 46.182 42.456 39.185 36.288 33.701 31.373 29.263 27.336 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.342 55.467 50.476 46.188 42.462 39.191 36.294 33.707 31.379 29.269 27.344 25.574 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.351 55.475 50.484 46.195 42.469 39.198 36.301 33.714 31.387 29.278 27.354 25.585 23.957 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.362 55.485 50.494 46.205 42.478 39.208 36.311 33.724 31.397 29.290 27.366 25.600 23.972 22.494 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.376 55.499 50.507 46.218 42.491 39.220 36.323 33.737 31.411 29.304 27.383 25.619 23.993 22.501 21.250 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.387 55.509 50.517 46.227 42.500 39.229 36.333 33.747 31.421 29.315 27.395 25.634 24.010 22.514 21.167 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.403 55.524 50.531 46.241 42.514 39.243 36.346 33.761 31.436 29.331 27.413 25.654 24.034 22.538 21.146 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.418 55.539 50.545 46.255 42.527 39.256 36.360 33.774 31.450 29.346 27.430 25.674 24.059 22.566 21.163 22.162 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.433 55.554 50.559 46.268 42.540 39.269 36.373 33.788 31.464 29.361 27.446 25.694 24.082 22.594 21.195 20.189 20.704 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.448 55.568 50.573 46.282 42.553 39.282 36.386 33.801 31.478 29.376 27.462 25.712 24.105 22.623 21.232 19.713 19.680 19.897 20.393 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.463 55.582 50.587 46.295 42.566 39.295 36.399 33.814 31.491 29.390 27.478 25.730 24.127 22.650 21.270 19.498 19.292 19.205 19.274 19.502 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.478 55.597 50.601 46.308 42.579 39.307 36.411 33.827 31.505 29.404 27.494 25.748 24.148 22.676 21.307 19.376 19.092 18.879 18.755 18.735 18.819 18.972 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.493 55.611 50.614 46.321 42.591 39.320 36.424 33.840 31.518 29.418 27.509 25.765 24.167 22.700 21.341 19.300 18.973 18.694 18.474 18.323 18.247 18.242 18.291 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.507 55.625 50.627 46.334 42.604 39.332 36.436 33.852 31.531 29.432 27.523 25.781 24.186 22.723 21.372 19.249 18.895 18.578 18.303 18.077 17.906 17.791 17.730 17.710 17.714 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.521 55.639 50.641 46.346 42.616 39.344 36.448 33.865 31.544 29.445 27.537 25.797 24.203 22.743 21.399 19.216 18.843 18.501 18.191 17.919 17.689 17.503 17.361 17.261 17.194 17.151 17.118 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.536 55.652 50.654 46.359 42.629 39.356 36.460 33.877 31.556 29.458 27.551 25.812 24.220 22.762 21.423 19.193 18.807 18.447 18.115 17.813 17.543 17.309 17.112 16.951 16.824 16.725 16.647 16.583 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.550 55.666 50.667 46.372 42.641 39.368 36.472 33.889 31.569 29.471 27.565 25.826 24.235 22.779 21.443 19.177 18.782 18.410 18.061 17.737 17.441 17.175 16.938 16.733 16.558 16.411 16.289 16.186 16.098 16.022 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.564 55.679 50.680 46.384 42.653 39.380 36.484 33.901 31.581 29.484 27.578 25.840 24.250 22.794 21.460 19.168 18.765 18.383 18.022 17.683 17.368 17.078 16.814 16.576 16.365 16.180 16.019 15.879 15.758 15.652 15.559 99999.999 99999.999 99999.999 99999.999 99999.999 61.578 55.693 50.692 46.396 42.665 39.392 36.496 33.913 31.593 29.496 27.591 25.854 24.264 22.808 21.475 19.162 18.754 18.364 17.994 17.644 17.315 17.007 16.722 16.460 16.222 16.007 15.814 15.643 15.491 15.356 15.237 15.130 15.036 99999.999 99999.999 99999.999 61.592 55.706 50.705 46.408 42.676 39.403 36.507 33.925 31.605 29.509 27.604 25.867 24.277 22.821 21.487 19.160 18.747 18.352 17.974 17.615 17.275 16.954 16.653 16.373 16.114 15.876 15.658 15.460 15.282 15.121 14.976 14.845 14.728 14.623 99999.999 99999.999 61.605 55.719 50.718 46.421 42.688 39.415 36.519 33.936 31.617 29.521 27.617 25.880 24.290 22.834 21.498 19.160 18.743 18.343 17.960 17.594 17.245 16.914 16.602 16.307 16.032 15.775 15.538 15.318 15.117 14.933 14.765 14.613 14.474 14.348 14.234 14.132 61.619 55.732 50.730 46.433 42.700 39.426 36.530 33.948 31.628 29.533 27.629 25.892 24.303 22.846 21.509 19.162 18.743 18.339 17.951 17.579 17.224 16.885 16.562 16.257 15.969 15.698 15.444 15.207 14.988 14.784 14.596 14.423 14.265 14.119 13.986 13.865 61.749 55.859 50.851 46.548 42.812 39.535 36.638 34.056 31.738 29.646 27.745 26.011 24.423 22.964 21.621 19.236 18.802 18.382 17.974 17.579 17.196 16.824 16.464 16.115 15.776 15.449 15.131 14.824 14.527 14.239 13.961 13.692 13.433 13.183 12.941 12.708 61.872 55.977 50.964 46.657 42.916 39.637 36.738 34.155 31.838 29.747 27.849 26.118 24.532 23.075 21.731 19.338 18.901 18.477 18.064 17.663 17.274 16.895 16.526 16.168 15.819 15.479 15.148 14.826 14.512 14.206 13.908 13.618 13.334 13.058 12.789 12.526 61.988 56.090 51.072 46.760 43.015 39.733 36.832 34.248 31.931 29.841 27.944 26.215 24.632 23.177 21.834 19.440 19.003 18.577 18.164 17.762 17.370 16.989 16.619 16.257 15.905 15.562 15.227 14.901 14.582 14.271 13.967 13.671 13.381 13.097 12.820 12.548 62.099 56.199 51.176 46.859 43.110 39.825 36.921 34.336 32.018 29.928 28.032 26.305 24.724 23.270 21.929 19.538 19.100 18.675 18.262 17.859 17.468 17.086 16.715 16.353 16.000 15.656 15.321 14.993 14.673 14.361 14.055 13.757 13.465 13.179 12.899 12.626 62.206 56.303 51.276 46.954 43.202 39.913 37.006 34.419 32.100 30.010 28.115 26.389 24.809 23.357 22.018 19.629 19.192 18.767 18.354 17.952 17.561 17.180 16.809 16.447 16.094 15.750 15.414 15.087 14.767 14.454 14.149 13.850 13.558 13.272 12.992 12.717 62.309 56.405 51.373 47.047 43.290 39.998 37.089 34.499 32.179 30.088 28.193 26.467 24.888 23.438 22.100 19.715 19.278 18.854 18.441 18.039 17.649 17.268 16.897 16.536 16.184 15.840 15.505 15.177 14.858 14.545 14.240 13.942 13.650 13.364 13.084 12.811 62.411 56.504 51.467 47.137 43.376 40.080 37.169 34.577 32.255 30.163 28.267 26.542 24.963 23.514 22.177 19.794 19.358 18.935 18.523 18.122 17.731 17.351 16.981 16.620 16.268 15.925 15.590 15.263 14.944 14.632 14.328 14.030 13.738 13.453 13.174 12.901 99999.999 56.601 51.560 47.224 43.460 40.161 37.246 34.652 32.329 30.235 28.339 26.613 25.035 23.586 22.250 19.870 19.434 19.011 18.599 18.199 17.809 17.429 17.059 16.699 16.348 16.005 15.671 15.344 15.026 14.714 14.410 14.113 13.822 13.537 13.259 12.986 Pr+4 Pr(+4) P-T:All Charge = 4. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 5 1.125 1 0.125 4 1.000 53 -0.125 6 -0.500 2 66.503 61.686 57.532 53.920 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.503 61.686 57.532 53.920 50.752 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.503 61.686 57.532 53.920 50.752 47.950 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.503 61.686 57.532 53.920 50.751 47.950 45.455 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.503 61.686 57.532 53.920 50.751 47.949 45.455 43.220 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.503 61.686 57.532 53.920 50.751 47.949 45.454 43.219 41.207 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.503 61.685 57.531 53.919 50.750 47.948 45.453 43.218 41.205 39.385 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.503 61.685 57.531 53.918 50.749 47.946 45.451 43.216 41.203 39.382 37.730 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.503 61.685 57.530 53.917 50.747 47.945 45.449 43.214 41.200 39.378 37.726 36.222 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.504 61.684 57.529 53.915 50.746 47.942 45.446 43.210 41.196 39.374 37.720 36.214 34.831 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.504 61.683 57.527 53.913 50.743 47.940 45.443 43.206 41.191 39.367 37.712 36.204 34.822 33.509 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.505 61.682 57.525 53.911 50.740 47.936 45.438 43.201 41.184 39.359 37.702 36.192 34.808 33.515 32.142 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.506 61.681 57.524 53.909 50.738 47.933 45.435 43.197 41.179 39.354 37.694 36.182 34.796 33.510 32.257 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.507 61.680 57.522 53.906 50.735 47.929 45.430 43.191 41.173 39.345 37.684 36.168 34.779 33.495 32.302 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.508 61.680 57.520 53.904 50.731 47.925 45.426 43.185 41.166 39.337 37.674 36.155 34.761 33.475 32.299 25.864 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.509 61.679 57.518 53.902 50.728 47.922 45.421 43.180 41.160 39.329 37.664 36.142 34.744 33.453 32.277 28.363 26.753 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.510 61.678 57.517 53.899 50.725 47.918 45.417 43.175 41.153 39.322 37.655 36.130 34.727 33.431 32.247 28.964 28.049 26.839 25.277 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.512 61.678 57.515 53.897 50.723 47.915 45.413 43.170 41.147 39.315 37.646 36.118 34.712 33.410 32.216 29.241 28.541 27.717 26.718 25.526 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.513 61.677 57.514 53.895 50.720 47.911 45.409 43.165 41.142 39.308 37.637 36.107 34.697 33.390 32.185 29.403 28.800 28.134 27.380 26.514 25.531 24.468 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.515 61.677 57.512 53.893 50.717 47.908 45.405 43.160 41.136 39.301 37.629 36.096 34.683 33.372 32.157 29.508 28.959 28.375 27.741 27.043 26.270 25.422 24.519 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.516 61.676 57.511 53.891 50.715 47.905 45.401 43.156 41.130 39.294 37.621 36.086 34.671 33.356 32.132 29.580 29.065 28.529 27.964 27.361 26.710 26.007 25.253 24.461 23.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.518 61.676 57.510 53.889 50.712 47.902 45.397 43.151 41.125 39.288 37.613 36.077 34.660 33.341 32.110 29.632 29.140 28.636 28.114 27.568 26.993 26.382 25.733 25.049 24.338 23.610 22.879 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.520 61.676 57.508 53.887 50.710 47.899 45.394 43.147 41.120 39.282 37.606 36.069 34.649 33.329 32.093 29.671 29.195 28.712 28.219 27.712 27.185 26.635 26.059 25.454 24.825 24.175 23.512 22.843 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.522 61.676 57.507 53.885 50.708 47.896 45.390 43.142 41.115 39.276 37.599 36.060 34.640 33.318 32.079 29.699 29.235 28.769 28.297 27.816 27.323 26.814 26.288 25.741 25.174 24.588 23.987 23.375 22.757 22.138 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.524 61.676 57.506 53.884 50.705 47.893 45.387 43.138 41.110 39.270 37.592 36.053 34.631 33.309 32.068 29.721 29.266 28.812 28.355 27.893 27.424 26.945 26.454 25.949 25.429 24.894 24.344 23.783 23.212 22.636 22.057 99999.999 99999.999 99999.999 99999.999 99999.999 66.526 61.676 57.505 53.882 50.703 47.891 45.383 43.134 41.105 39.264 37.586 36.046 34.624 33.301 32.060 29.737 29.290 28.844 28.399 27.952 27.501 27.044 26.579 26.105 25.620 25.123 24.615 24.096 23.568 23.033 22.492 21.947 21.401 99999.999 99999.999 99999.999 66.528 61.676 57.504 53.880 50.701 47.888 45.380 43.130 41.100 39.259 37.579 36.039 34.616 33.294 32.054 29.750 29.308 28.870 28.433 27.997 27.560 27.120 26.675 26.224 25.766 25.299 24.823 24.339 23.847 23.347 22.841 22.331 21.817 21.300 99999.999 99999.999 66.530 61.676 57.503 53.879 50.699 47.885 45.377 43.127 41.096 39.254 37.573 36.032 34.610 33.288 32.049 29.759 29.322 28.889 28.460 28.033 27.606 27.179 26.749 26.316 25.879 25.435 24.986 24.529 24.066 23.597 23.122 22.642 22.158 21.671 21.180 20.688 66.532 61.676 57.503 53.877 50.697 47.883 45.374 43.123 41.091 39.248 37.567 36.026 34.603 33.282 32.045 29.765 29.332 28.904 28.481 28.061 27.643 27.225 26.808 26.389 25.968 25.543 25.114 24.680 24.241 23.797 23.348 22.895 22.438 21.978 21.514 21.048 66.558 61.680 57.497 53.866 50.680 47.861 45.348 43.091 41.053 39.203 37.515 35.968 34.542 33.221 31.992 29.760 29.344 28.937 28.539 28.148 27.765 27.389 27.020 26.656 26.298 25.945 25.597 25.254 24.914 24.578 24.246 23.916 23.589 23.265 22.943 22.623 66.589 61.690 57.496 53.858 50.668 47.845 45.327 43.066 41.023 39.167 37.473 35.920 34.489 33.166 31.935 29.712 29.300 28.898 28.506 28.122 27.747 27.380 27.021 26.670 26.325 25.988 25.657 25.332 25.014 24.701 24.394 24.092 23.796 23.504 23.217 22.935 66.623 61.702 57.499 53.855 50.660 47.833 45.311 43.046 40.998 39.138 37.438 35.880 34.444 33.117 31.883 29.659 29.247 28.846 28.455 28.073 27.700 27.335 26.979 26.631 26.290 25.957 25.631 25.312 25.000 24.693 24.394 24.100 23.812 23.530 23.253 22.982 66.661 61.718 57.504 53.854 50.654 47.824 45.299 43.030 40.979 39.114 37.410 35.847 34.407 33.074 31.838 29.607 29.196 28.794 28.403 28.020 27.647 27.283 26.927 26.580 26.240 25.908 25.583 25.265 24.954 24.650 24.352 24.061 23.776 23.496 23.222 22.954 66.701 61.735 57.511 53.855 50.651 47.817 45.289 43.017 40.962 39.094 37.387 35.819 34.375 33.038 31.798 29.561 29.148 28.746 28.353 27.970 27.597 27.232 26.876 26.528 26.187 25.855 25.530 25.212 24.901 24.597 24.300 24.008 23.723 23.444 23.171 22.904 66.743 61.755 57.520 53.858 50.650 47.812 45.281 43.006 40.949 39.078 37.367 35.796 34.348 33.008 31.763 29.520 29.106 28.702 28.309 27.925 27.550 27.184 26.827 26.478 26.137 25.804 25.478 25.160 24.848 24.544 24.246 23.954 23.668 23.389 23.115 22.847 66.787 61.775 57.531 53.862 50.650 47.809 45.275 42.998 40.938 39.064 37.350 35.776 34.325 32.981 31.733 29.483 29.068 28.663 28.269 27.884 27.508 27.141 26.783 26.433 26.091 25.757 25.430 25.111 24.799 24.493 24.194 23.902 23.615 23.335 23.060 22.792 99999.999 61.797 57.542 53.868 50.652 47.808 45.271 42.991 40.928 39.052 37.336 35.759 34.305 32.958 31.707 29.451 29.035 28.629 28.233 27.847 27.470 27.102 26.743 26.392 26.049 25.714 25.387 25.066 24.753 24.447 24.147 23.853 23.566 23.285 23.009 22.740 PrCO3+ PrCO3+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 3 -1.000 1 1.000 5 1.000 53 2.736 2.772 2.829 2.897 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.736 2.772 2.829 2.897 2.967 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.736 2.772 2.829 2.897 2.967 3.034 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.736 2.772 2.829 2.897 2.967 3.034 3.091 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.735 2.771 2.828 2.896 2.967 3.034 3.091 3.133 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.735 2.771 2.828 2.896 2.967 3.034 3.091 3.133 3.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.735 2.770 2.827 2.895 2.966 3.034 3.091 3.134 3.157 3.152 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.734 2.769 2.825 2.894 2.965 3.033 3.092 3.136 3.160 3.156 3.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.733 2.767 2.823 2.892 2.964 3.033 3.092 3.138 3.164 3.162 3.122 3.022 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.732 2.764 2.821 2.890 2.963 3.032 3.093 3.140 3.168 3.170 3.134 3.043 2.866 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.730 2.760 2.817 2.887 2.961 3.031 3.094 3.143 3.174 3.180 3.150 3.069 2.910 2.617 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.727 2.756 2.812 2.883 2.958 3.030 3.095 3.147 3.181 3.192 3.170 3.101 2.963 2.711 2.183 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.725 2.752 2.808 2.879 2.955 3.029 3.095 3.149 3.186 3.200 3.184 3.124 3.001 2.777 2.321 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.721 2.746 2.802 2.874 2.951 3.027 3.096 3.152 3.193 3.212 3.203 3.154 3.051 2.861 2.484 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.717 2.740 2.796 2.869 2.947 3.025 3.096 3.155 3.199 3.223 3.220 3.183 3.097 2.937 2.622 1.711 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.713 2.733 2.790 2.864 2.943 3.022 3.095 3.157 3.205 3.233 3.237 3.209 3.138 3.004 2.743 2.422 2.031 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.708 2.727 2.784 2.858 2.939 3.020 3.095 3.159 3.210 3.242 3.252 3.233 3.176 3.065 2.849 2.622 2.433 2.130 1.587 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.703 2.720 2.777 2.852 2.934 3.017 3.094 3.161 3.215 3.251 3.266 3.255 3.211 3.120 2.943 2.753 2.621 2.443 2.185 1.790 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.698 2.713 2.770 2.846 2.930 3.014 3.092 3.162 3.219 3.259 3.279 3.276 3.243 3.170 3.026 2.854 2.751 2.622 2.454 2.225 1.907 1.471 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.692 2.706 2.763 2.840 2.925 3.010 3.091 3.163 3.222 3.266 3.292 3.295 3.272 3.215 3.099 2.938 2.854 2.751 2.625 2.465 2.259 1.989 1.643 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.687 2.699 2.756 2.834 2.920 3.007 3.089 3.164 3.226 3.273 3.303 3.313 3.298 3.254 3.163 3.010 2.939 2.855 2.753 2.630 2.478 2.290 2.056 1.768 1.424 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.681 2.691 2.749 2.827 2.914 3.003 3.087 3.164 3.229 3.279 3.314 3.329 3.323 3.290 3.219 3.075 3.014 2.942 2.857 2.757 2.637 2.494 2.321 2.113 1.868 1.583 1.263 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.675 2.684 2.741 2.820 2.909 2.999 3.085 3.164 3.231 3.285 3.323 3.344 3.344 3.322 3.268 3.133 3.080 3.018 2.946 2.862 2.763 2.648 2.512 2.352 2.167 1.953 1.712 1.446 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.668 2.676 2.734 2.814 2.903 2.995 3.083 3.164 3.234 3.290 3.332 3.357 3.364 3.351 3.311 3.185 3.139 3.086 3.023 2.951 2.868 2.772 2.661 2.532 2.385 2.218 2.030 1.823 1.598 1.359 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.661 2.668 2.726 2.807 2.897 2.990 3.080 3.163 3.236 3.295 3.341 3.370 3.383 3.377 3.348 3.234 3.193 3.147 3.092 3.030 2.958 2.876 2.783 2.676 2.556 2.420 2.269 2.102 1.921 1.729 1.527 99999.999 99999.999 99999.999 99999.999 99999.999 2.654 2.659 2.718 2.800 2.891 2.986 3.077 3.162 3.237 3.300 3.348 3.382 3.399 3.400 3.380 3.279 3.243 3.202 3.155 3.100 3.038 2.967 2.887 2.796 2.695 2.582 2.456 2.319 2.170 2.012 1.845 1.673 1.497 99999.999 99999.999 99999.999 2.647 2.651 2.710 2.792 2.885 2.981 3.074 3.161 3.238 3.304 3.355 3.393 3.415 3.420 3.408 3.320 3.289 3.254 3.212 3.164 3.110 3.048 2.978 2.900 2.813 2.716 2.610 2.494 2.370 2.236 2.096 1.951 1.802 1.652 99999.999 99999.999 2.640 2.642 2.701 2.785 2.879 2.976 3.071 3.160 3.239 3.307 3.362 3.403 3.429 3.439 3.433 3.359 3.332 3.301 3.264 3.222 3.174 3.120 3.059 2.991 2.915 2.831 2.740 2.641 2.534 2.420 2.301 2.177 2.049 1.920 1.791 1.664 2.632 2.634 2.693 2.777 2.873 2.971 3.068 3.158 3.240 3.311 3.368 3.412 3.442 3.457 3.456 3.396 3.373 3.345 3.313 3.276 3.234 3.186 3.132 3.072 3.005 2.932 2.853 2.766 2.674 2.575 2.472 2.364 2.254 2.141 2.029 1.917 2.545 2.538 2.602 2.695 2.802 2.914 3.025 3.133 3.234 3.327 3.410 3.482 3.543 3.593 3.631 3.670 3.672 3.671 3.667 3.661 3.653 3.641 3.627 3.610 3.591 3.569 3.544 3.516 3.486 3.453 3.418 3.381 3.342 3.301 3.259 3.217 2.441 2.430 2.500 2.603 2.721 2.845 2.970 3.092 3.210 3.321 3.423 3.517 3.602 3.677 3.743 3.847 3.862 3.877 3.889 3.900 3.908 3.915 3.921 3.924 3.925 3.925 3.922 3.918 3.912 3.904 3.894 3.883 3.870 3.856 3.840 3.822 2.323 2.312 2.389 2.502 2.631 2.767 2.904 3.040 3.172 3.298 3.418 3.529 3.633 3.729 3.816 3.967 3.993 4.018 4.041 4.063 4.084 4.103 4.121 4.137 4.151 4.164 4.176 4.186 4.195 4.202 4.207 4.212 4.214 4.216 4.215 4.214 2.195 2.186 2.272 2.395 2.535 2.682 2.831 2.979 3.124 3.263 3.397 3.524 3.644 3.757 3.862 4.051 4.085 4.118 4.150 4.180 4.210 4.238 4.265 4.290 4.314 4.337 4.359 4.379 4.398 4.416 4.432 4.447 4.461 4.473 4.484 4.494 2.058 2.053 2.148 2.282 2.433 2.591 2.752 2.911 3.067 3.219 3.365 3.506 3.640 3.767 3.888 4.108 4.149 4.189 4.227 4.265 4.301 4.336 4.370 4.403 4.435 4.465 4.495 4.523 4.550 4.576 4.600 4.623 4.645 4.666 4.686 4.704 1.915 1.915 2.019 2.164 2.326 2.495 2.667 2.837 3.004 3.167 3.325 3.478 3.624 3.764 3.898 4.146 4.192 4.238 4.282 4.325 4.367 4.408 4.448 4.487 4.525 4.562 4.597 4.632 4.665 4.697 4.728 4.758 4.787 4.814 4.840 4.866 1.765 1.772 1.886 2.042 2.215 2.395 2.577 2.758 2.935 3.109 3.277 3.441 3.598 3.750 3.896 4.168 4.219 4.269 4.318 4.367 4.414 4.460 4.505 4.549 4.592 4.634 4.675 4.714 4.753 4.790 4.827 4.862 4.896 4.929 4.961 4.991 99999.999 1.626 1.750 1.916 2.101 2.292 2.484 2.674 2.862 3.045 3.224 3.397 3.565 3.727 3.883 4.177 4.232 4.287 4.341 4.393 4.445 4.495 4.545 4.593 4.641 4.687 4.732 4.776 4.819 4.861 4.902 4.942 4.980 5.018 5.054 5.089 PrHCO3+2 PrHCO3+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 2 1.000 5 1.000 53 -2.207 -1.919 -1.787 -1.750 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.207 -1.919 -1.787 -1.750 -1.777 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.207 -1.919 -1.787 -1.749 -1.777 -1.854 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.207 -1.919 -1.787 -1.749 -1.776 -1.853 -1.972 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.206 -1.918 -1.787 -1.749 -1.776 -1.853 -1.971 -2.125 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.205 -1.918 -1.786 -1.748 -1.775 -1.852 -1.970 -2.124 -2.312 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.204 -1.917 -1.786 -1.748 -1.775 -1.851 -1.968 -2.122 -2.309 -2.532 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.202 -1.916 -1.785 -1.747 -1.773 -1.849 -1.966 -2.119 -2.305 -2.527 -2.791 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.200 -1.914 -1.783 -1.745 -1.772 -1.847 -1.963 -2.115 -2.300 -2.520 -2.781 -3.096 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 3 -1.000 1 1.000 2 1.000 53 9.624 8.274 7.146 6.193 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.624 8.274 7.146 6.193 5.377 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.625 8.275 7.147 6.193 5.377 4.670 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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2.639 2.227 1.844 1.481 1.140 0.839 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.749 8.395 7.262 6.303 5.483 4.773 4.152 3.601 3.107 2.660 2.251 1.870 1.512 1.174 0.838 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.773 8.418 7.284 6.325 5.504 4.793 4.171 3.620 3.127 2.681 2.273 1.896 1.543 1.210 0.869 3.452 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.797 8.442 7.306 6.346 5.524 4.813 4.191 3.640 3.147 2.702 2.295 1.921 1.573 1.246 0.912 1.704 2.465 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.821 8.464 7.328 6.367 5.544 4.833 4.210 3.659 3.167 2.722 2.317 1.945 1.602 1.281 0.958 1.288 1.562 2.048 2.766 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.844 8.487 7.349 6.387 5.564 4.852 4.229 3.678 3.186 2.742 2.338 1.969 1.629 1.315 1.005 1.105 1.226 1.444 1.789 2.264 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.867 8.509 7.371 6.408 5.584 4.871 4.248 3.697 3.205 2.761 2.359 1.991 1.655 1.346 1.049 1.005 1.056 1.162 1.338 1.598 1.939 2.328 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.890 8.531 7.392 6.428 5.603 4.890 4.266 3.715 3.223 2.780 2.379 2.013 1.680 1.376 1.090 0.945 0.958 1.006 1.098 1.242 1.445 1.701 1.994 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.912 8.553 7.413 6.448 5.622 4.908 4.284 3.733 3.241 2.799 2.398 2.034 1.704 1.404 1.127 0.908 0.897 0.911 0.954 1.033 1.152 1.314 1.514 1.742 1.982 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.934 8.575 7.433 6.467 5.641 4.927 4.302 3.751 3.259 2.817 2.417 2.055 1.726 1.430 1.160 0.885 0.858 0.850 0.863 0.901 0.969 1.068 1.199 1.359 1.541 1.735 1.932 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.956 8.596 7.454 6.487 5.660 4.945 4.320 3.769 3.277 2.835 2.436 2.074 1.747 1.454 1.189 0.872 0.834 0.810 0.803 0.815 0.848 0.905 0.988 1.096 1.226 1.375 1.535 1.701 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.978 8.617 7.474 6.506 5.678 4.963 4.338 3.786 3.295 2.853 2.455 2.094 1.768 1.475 1.215 0.865 0.819 0.784 0.762 0.755 0.766 0.794 0.843 0.912 1.002 1.110 1.232 1.367 1.509 1.655 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.000 8.638 7.494 6.525 5.697 4.980 4.355 3.803 3.312 2.871 2.472 2.112 1.787 1.496 1.237 0.863 0.810 0.767 0.735 0.715 0.708 0.716 0.741 0.782 0.840 0.915 1.005 1.108 1.222 1.345 1.473 99999.999 99999.999 99999.999 99999.999 99999.999 10.021 8.659 7.514 6.544 5.715 4.998 4.372 3.820 3.329 2.888 2.490 2.130 1.805 1.514 1.257 0.865 0.807 0.757 0.717 0.687 0.668 0.661 0.667 0.687 0.722 0.771 0.834 0.910 0.998 1.096 1.202 1.315 1.435 99999.999 99999.999 99999.999 10.042 8.680 7.534 6.563 5.733 5.015 4.389 3.837 3.346 2.905 2.507 2.148 1.823 1.532 1.274 0.869 0.807 0.753 0.706 0.668 0.640 0.621 0.614 0.618 0.634 0.663 0.705 0.758 0.823 0.898 0.983 1.075 1.176 1.283 99999.999 99999.999 10.063 8.700 7.553 6.582 5.751 5.033 4.406 3.854 3.362 2.922 2.524 2.165 1.840 1.549 1.290 0.875 0.810 0.752 0.700 0.656 0.620 0.593 0.575 0.567 0.569 0.582 0.606 0.641 0.686 0.742 0.807 0.880 0.962 1.051 1.147 1.250 10.084 8.720 7.572 6.600 5.768 5.050 4.423 3.870 3.379 2.938 2.541 2.182 1.857 1.565 1.305 0.883 0.815 0.754 0.698 0.649 0.607 0.573 0.547 0.529 0.521 0.521 0.531 0.551 0.580 0.619 0.666 0.722 0.787 0.859 0.938 1.024 10.281 8.913 7.756 6.775 5.936 5.212 4.580 4.025 3.533 3.093 2.698 2.340 2.016 1.722 1.457 1.002 0.922 0.846 0.774 0.705 0.639 0.577 0.518 0.463 0.411 0.363 0.318 0.276 0.238 0.203 0.172 0.145 0.121 0.101 0.085 0.072 10.464 9.092 7.928 6.938 6.092 5.361 4.725 4.167 3.673 3.233 2.838 2.482 2.159 1.866 1.599 1.137 1.055 0.975 0.899 0.825 0.755 0.686 0.621 0.558 0.497 0.438 0.382 0.327 0.275 0.225 0.177 0.131 0.086 0.044 0.003 -0.036 10.634 9.260 8.088 7.091 6.238 5.501 4.860 4.298 3.802 3.361 2.966 2.610 2.288 1.996 1.731 1.267 1.184 1.104 1.027 0.952 0.880 0.810 0.743 0.677 0.614 0.553 0.493 0.435 0.379 0.325 0.272 0.221 0.171 0.122 0.074 0.028 10.796 9.420 8.241 7.236 6.376 5.633 4.987 4.422 3.923 3.480 3.084 2.729 2.407 2.116 1.852 1.389 1.306 1.226 1.149 1.074 1.001 0.931 0.863 0.798 0.734 0.672 0.611 0.553 0.496 0.440 0.386 0.334 0.282 0.232 0.182 0.134 10.950 9.572 8.387 7.375 6.508 5.759 5.109 4.539 4.037 3.592 3.195 2.839 2.518 2.228 1.963 1.503 1.420 1.340 1.263 1.188 1.116 1.046 0.978 0.913 0.849 0.787 0.727 0.668 0.611 0.556 0.501 0.449 0.397 0.346 0.297 0.249 11.098 9.719 8.527 7.508 6.635 5.880 5.225 4.651 4.146 3.698 3.300 2.943 2.622 2.331 2.068 1.609 1.526 1.447 1.370 1.295 1.223 1.154 1.086 1.021 0.957 0.896 0.836 0.777 0.721 0.666 0.612 0.559 0.508 0.458 0.409 0.361 11.242 9.862 8.663 7.637 6.757 5.997 5.337 4.759 4.250 3.800 3.399 3.041 2.720 2.429 2.166 1.708 1.626 1.546 1.470 1.396 1.324 1.255 1.187 1.122 1.059 0.998 0.938 0.880 0.824 0.769 0.716 0.664 0.613 0.563 0.515 0.467 99999.999 10.000 8.795 7.762 6.876 6.111 5.445 4.863 4.351 3.898 3.495 3.136 2.813 2.522 2.259 1.801 1.719 1.640 1.564 1.490 1.419 1.349 1.282 1.218 1.155 1.094 1.035 0.977 0.921 0.867 0.814 0.762 0.711 0.662 0.614 0.567 PrO+ PrO+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 3 -2.000 1 1.000 2 1.000 53 19.826 17.290 15.221 13.502 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.826 17.290 15.221 13.502 12.053 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.827 17.291 15.221 13.503 12.054 10.816 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.828 17.292 15.223 13.504 12.055 10.818 9.747 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.831 17.294 15.225 13.506 12.057 10.820 9.749 8.811 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.834 17.298 15.228 13.509 12.061 10.823 9.752 8.814 7.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.840 17.303 15.233 13.514 12.066 10.828 9.757 8.820 7.988 7.240 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.848 17.311 15.241 13.522 12.073 10.835 9.765 8.827 7.996 7.249 6.564 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.859 17.322 15.251 13.532 12.082 10.845 9.775 8.837 8.007 7.261 6.578 5.939 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.874 17.336 15.265 13.545 12.096 10.858 9.788 8.851 8.022 7.277 6.596 5.960 5.360 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.893 17.355 15.283 13.562 12.112 10.875 9.805 8.869 8.041 7.297 6.619 5.988 5.392 4.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.917 17.378 15.306 13.584 12.134 10.896 9.827 8.891 8.064 7.323 6.649 6.024 5.435 4.883 4.483 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.936 17.397 15.323 13.601 12.151 10.913 9.843 8.909 8.083 7.343 6.671 6.051 5.468 4.916 4.408 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.963 17.423 15.348 13.625 12.174 10.936 9.867 8.933 8.108 7.371 6.703 6.088 5.515 4.970 4.420 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.989 17.448 15.373 13.649 12.197 10.959 9.890 8.957 8.134 7.398 6.734 6.125 5.560 5.026 4.476 7.980 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.015 17.473 15.397 13.673 12.220 10.982 9.913 8.981 8.158 7.425 6.763 6.160 5.604 5.082 4.547 5.591 6.617 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.041 17.498 15.421 13.696 12.243 11.005 9.936 9.004 8.183 7.451 6.792 6.194 5.646 5.136 4.622 5.023 5.384 6.033 6.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.066 17.523 15.445 13.719 12.265 11.027 9.958 9.027 8.206 7.476 6.820 6.227 5.686 5.187 4.696 4.774 4.927 5.211 5.667 6.290 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.092 17.547 15.468 13.741 12.288 11.049 9.980 9.049 8.230 7.501 6.848 6.258 5.723 5.235 4.765 4.641 4.699 4.830 5.058 5.397 5.840 6.337 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.116 17.572 15.491 13.764 12.309 11.070 10.002 9.072 8.253 7.525 6.874 6.288 5.759 5.280 4.828 4.564 4.569 4.622 4.734 4.918 5.180 5.511 5.883 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.141 17.595 15.514 13.786 12.331 11.091 10.023 9.093 8.275 7.549 6.900 6.317 5.793 5.321 4.886 4.518 4.490 4.496 4.543 4.639 4.789 4.996 5.252 5.540 5.839 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.165 17.619 15.537 13.808 12.352 11.112 10.044 9.115 8.298 7.573 6.925 6.345 5.825 5.359 4.937 4.490 4.441 4.418 4.424 4.465 4.546 4.669 4.835 5.038 5.268 5.510 5.751 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.189 17.642 15.559 13.829 12.373 11.133 10.065 9.136 8.319 7.596 6.950 6.372 5.855 5.394 4.981 4.476 4.412 4.368 4.346 4.352 4.387 4.455 4.557 4.692 4.856 5.043 5.243 5.448 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.213 17.666 15.582 13.851 12.394 11.154 10.086 9.157 8.341 7.618 6.974 6.398 5.883 5.425 5.020 4.471 4.395 4.336 4.296 4.276 4.280 4.310 4.367 4.451 4.562 4.697 4.852 5.020 5.196 5.378 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.236 17.688 15.604 13.872 12.415 11.174 10.106 9.178 8.362 7.640 6.997 6.423 5.910 5.455 5.054 4.471 4.387 4.318 4.263 4.226 4.207 4.210 4.234 4.281 4.352 4.444 4.557 4.686 4.829 4.983 5.144 99999.999 99999.999 99999.999 99999.999 99999.999 20.260 17.711 15.625 13.893 12.435 11.194 10.126 9.198 8.383 7.662 7.020 6.447 5.935 5.482 5.083 4.477 4.386 4.308 4.243 4.193 4.158 4.140 4.140 4.159 4.199 4.257 4.335 4.430 4.540 4.664 4.798 4.942 5.094 99999.999 99999.999 99999.999 20.283 17.734 15.647 13.914 12.455 11.214 10.146 9.218 8.404 7.684 7.043 6.470 5.960 5.507 5.108 4.486 4.390 4.305 4.232 4.171 4.124 4.091 4.073 4.072 4.087 4.119 4.168 4.234 4.315 4.410 4.517 4.636 4.764 4.903 99999.999 99999.999 20.305 17.756 15.668 13.935 12.475 11.234 10.166 9.238 8.424 7.705 7.065 6.493 5.983 5.530 5.132 4.497 4.398 4.308 4.228 4.159 4.102 4.058 4.026 4.008 4.005 4.016 4.043 4.084 4.140 4.210 4.292 4.386 4.491 4.607 4.733 4.868 20.328 17.778 15.690 13.955 12.495 11.253 10.185 9.257 8.444 7.725 7.086 6.516 6.006 5.553 5.154 4.511 4.408 4.314 4.229 4.154 4.089 4.036 3.993 3.963 3.945 3.940 3.948 3.969 4.004 4.052 4.112 4.184 4.267 4.361 4.465 4.579 20.542 17.988 15.892 14.149 12.683 11.437 10.368 9.441 8.631 7.918 7.286 6.723 6.220 5.770 5.368 4.693 4.577 4.466 4.361 4.261 4.167 4.079 3.995 3.917 3.843 3.775 3.712 3.654 3.601 3.554 3.512 3.475 3.443 3.417 3.396 3.380 20.739 18.182 16.078 14.329 12.857 11.607 10.534 9.607 8.799 8.090 7.463 6.905 6.408 5.964 5.566 4.890 4.771 4.658 4.550 4.446 4.347 4.252 4.161 4.074 3.991 3.912 3.835 3.763 3.693 3.627 3.563 3.503 3.446 3.391 3.339 3.289 20.923 18.364 16.254 14.497 13.019 11.764 10.689 9.760 8.952 8.245 7.621 7.069 6.577 6.137 5.744 5.074 4.957 4.844 4.736 4.632 4.533 4.437 4.346 4.258 4.173 4.091 4.013 3.937 3.864 3.793 3.726 3.660 3.596 3.535 3.476 3.418 21.095 18.536 16.419 14.656 13.173 11.913 10.834 9.903 9.094 8.388 7.767 7.217 6.729 6.294 5.905 5.244 5.128 5.016 4.910 4.807 4.709 4.614 4.523 4.436 4.351 4.270 4.192 4.117 4.044 3.973 3.905 3.839 3.775 3.713 3.653 3.594 21.260 18.700 16.577 14.808 13.318 12.054 10.971 10.038 9.228 8.521 7.901 7.354 6.869 6.438 6.053 5.399 5.285 5.175 5.069 4.968 4.871 4.778 4.688 4.602 4.519 4.439 4.362 4.288 4.216 4.147 4.080 4.015 3.952 3.891 3.832 3.774 21.418 18.857 16.729 14.953 13.458 12.188 11.102 10.166 9.354 8.647 8.027 7.481 6.999 6.570 6.189 5.542 5.429 5.320 5.216 5.117 5.021 4.929 4.841 4.756 4.675 4.596 4.520 4.448 4.377 4.310 4.244 4.180 4.119 4.059 4.001 3.945 21.570 19.010 16.875 15.093 13.592 12.318 11.227 10.288 9.475 8.766 8.146 7.601 7.120 6.694 6.315 5.674 5.562 5.455 5.352 5.254 5.159 5.069 4.982 4.898 4.818 4.741 4.667 4.595 4.526 4.460 4.396 4.334 4.274 4.216 4.159 4.105 99999.999 19.158 17.017 15.229 13.722 12.443 11.349 10.406 9.590 8.880 8.259 7.714 7.234 6.809 6.432 5.797 5.686 5.580 5.478 5.381 5.288 5.198 5.112 5.030 4.951 4.875 4.802 4.732 4.664 4.599 4.536 4.475 4.417 4.360 4.305 4.252 PrO2H,aq PrO2H(AQ) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 3.000 Ref: Shock07 3 -3.000 1 2.000 2 1.000 53 30.417 26.590 23.543 21.068 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.417 26.590 23.543 21.068 19.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.417 26.591 23.543 21.069 19.030 17.330 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.419 26.592 23.545 21.070 19.031 17.331 15.897 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.421 26.594 23.547 21.072 19.033 17.333 15.899 14.677 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.424 26.598 23.550 21.075 19.037 17.336 15.903 14.681 13.628 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.429 26.603 23.555 21.080 19.041 17.341 15.908 14.686 13.634 12.715 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.437 26.610 23.562 21.087 19.049 17.348 15.915 14.694 13.642 12.724 11.907 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.447 26.621 23.572 21.097 19.058 17.358 15.925 14.704 13.653 12.736 11.922 11.180 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.461 26.634 23.586 21.110 19.071 17.371 15.938 14.718 13.668 12.753 11.941 11.204 10.524 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.478 26.652 23.603 21.127 19.088 17.388 15.955 14.736 13.687 12.774 11.966 11.235 10.561 9.954 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.500 26.674 23.625 21.148 19.109 17.409 15.977 14.759 13.711 12.801 11.997 11.273 10.609 9.995 9.536 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.517 26.692 23.642 21.165 19.125 17.425 15.994 14.776 13.730 12.821 12.021 11.303 10.646 10.035 9.467 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.542 26.716 23.666 21.188 19.148 17.448 16.017 14.801 13.756 12.850 12.054 11.343 10.698 10.098 9.492 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.565 26.740 23.689 21.211 19.170 17.471 16.040 14.824 13.781 12.878 12.086 11.383 10.748 10.162 9.563 13.313 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.588 26.763 23.712 21.234 19.193 17.493 16.063 14.848 13.806 12.905 12.117 11.420 10.796 10.225 9.648 10.827 11.909 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.611 26.787 23.735 21.256 19.214 17.515 16.085 14.871 13.831 12.931 12.147 11.456 10.842 10.286 9.735 10.233 10.626 11.316 12.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.634 26.809 23.757 21.277 19.236 17.536 16.107 14.893 13.854 12.957 12.176 11.491 10.885 10.343 9.819 9.975 10.150 10.462 10.952 11.608 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.656 26.832 23.779 21.299 19.257 17.557 16.128 14.915 13.877 12.982 12.204 11.524 10.926 10.396 9.898 9.838 9.914 10.067 10.322 10.692 11.164 11.683 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.678 26.854 23.801 21.320 19.278 17.578 16.149 14.937 13.900 13.006 12.231 11.555 10.964 10.445 9.970 9.759 9.780 9.852 9.987 10.198 10.488 10.847 11.243 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.699 26.876 23.822 21.341 19.298 17.598 16.169 14.958 13.922 13.030 12.257 11.585 11.000 10.491 10.035 9.712 9.699 9.723 9.791 9.910 10.086 10.320 10.603 10.917 11.237 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.720 26.897 23.843 21.361 19.318 17.618 16.189 14.979 13.944 13.054 12.283 11.614 11.033 10.532 10.091 9.685 9.650 9.643 9.668 9.731 9.836 9.985 10.179 10.409 10.665 10.932 11.195 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.741 26.918 23.863 21.381 19.338 17.637 16.209 14.999 13.965 13.076 12.307 11.641 11.065 10.569 10.141 9.672 9.621 9.592 9.589 9.615 9.673 9.766 9.894 10.057 10.249 10.463 10.690 10.921 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.761 26.939 23.884 21.401 19.357 17.657 16.229 15.019 13.986 13.099 12.331 11.668 11.094 10.603 10.183 9.667 9.605 9.561 9.538 9.539 9.564 9.617 9.700 9.811 9.950 10.114 10.297 10.494 10.699 10.909 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.781 26.959 23.904 21.421 19.377 17.676 16.248 15.039 14.007 13.120 12.355 11.693 11.122 10.633 10.220 9.669 9.598 9.543 9.506 9.488 9.490 9.515 9.564 9.638 9.736 9.857 9.999 10.159 10.333 10.517 10.709 99999.999 99999.999 99999.999 99999.999 99999.999 30.801 26.979 23.924 21.440 19.395 17.695 16.267 15.058 14.027 13.142 12.377 11.717 11.148 10.661 10.251 9.675 9.597 9.534 9.486 9.454 9.440 9.445 9.469 9.514 9.581 9.668 9.775 9.901 10.042 10.198 10.365 10.542 10.728 99999.999 99999.999 99999.999 30.820 26.999 23.943 21.459 19.414 17.713 16.286 15.077 14.047 13.162 12.400 11.741 11.173 10.687 10.278 9.685 9.602 9.532 9.476 9.434 9.407 9.396 9.402 9.426 9.467 9.528 9.606 9.703 9.815 9.942 10.083 10.236 10.400 10.575 99999.999 99999.999 30.839 27.019 23.963 21.478 19.433 17.731 16.304 15.096 14.066 13.183 12.421 11.763 11.197 10.712 10.302 9.697 9.610 9.535 9.472 9.422 9.385 9.363 9.355 9.362 9.385 9.424 9.479 9.551 9.638 9.740 9.856 9.985 10.126 10.279 10.442 10.617 30.858 27.038 23.982 21.496 19.451 17.749 16.322 15.114 14.085 13.203 12.442 11.786 11.220 10.735 10.325 9.712 9.621 9.542 9.474 9.418 9.373 9.341 9.322 9.316 9.324 9.347 9.384 9.435 9.501 9.581 9.675 9.781 9.900 10.031 10.173 10.327 31.033 27.219 24.160 21.670 19.620 17.917 16.489 15.284 14.261 13.386 12.635 11.988 11.430 10.951 10.541 9.900 9.797 9.701 9.614 9.533 9.459 9.392 9.332 9.278 9.230 9.189 9.154 9.125 9.102 9.085 9.075 9.070 9.072 9.080 9.094 9.114 31.186 27.381 24.319 21.825 19.772 18.065 16.637 15.433 14.413 13.543 12.799 12.160 11.611 11.139 10.734 10.096 9.992 9.895 9.805 9.721 9.643 9.570 9.503 9.442 9.385 9.333 9.285 9.242 9.202 9.167 9.136 9.108 9.084 9.063 9.046 9.032 31.323 27.527 24.464 21.966 19.909 18.200 16.770 15.566 14.548 13.682 12.943 12.310 11.768 11.303 10.905 10.277 10.174 10.078 9.989 9.905 9.828 9.755 9.688 9.626 9.568 9.515 9.466 9.420 9.378 9.340 9.304 9.272 9.243 9.216 9.192 9.170 31.447 27.661 24.597 22.096 20.036 18.324 16.892 15.688 14.670 13.806 13.071 12.443 11.906 11.447 11.055 10.438 10.338 10.244 10.156 10.075 9.999 9.928 9.862 9.802 9.745 9.693 9.645 9.600 9.559 9.521 9.486 9.454 9.425 9.398 9.374 9.351 31.561 27.785 24.721 22.217 20.153 18.439 17.005 15.799 14.781 13.919 13.186 12.562 12.030 11.576 11.189 10.583 10.485 10.393 10.307 10.228 10.154 10.085 10.021 9.962 9.908 9.857 9.811 9.768 9.729 9.693 9.660 9.629 9.602 9.576 9.554 9.533 31.667 27.902 24.837 22.331 20.264 18.546 17.110 15.903 14.885 14.023 13.292 12.670 12.142 11.692 11.310 10.714 10.617 10.527 10.444 10.366 10.294 10.227 10.165 10.108 10.056 10.007 9.963 9.922 9.884 9.850 9.819 9.791 9.765 9.742 9.721 9.703 31.766 28.012 24.947 22.438 20.368 18.648 17.209 16.001 14.982 14.120 13.390 12.770 12.244 11.798 11.420 10.832 10.737 10.649 10.567 10.491 10.421 10.356 10.296 10.241 10.190 10.143 10.100 10.061 10.026 9.994 9.964 9.938 9.914 9.893 9.874 9.858 99999.999 28.118 25.052 22.540 20.467 18.744 17.303 16.093 15.073 14.211 13.481 12.863 12.339 11.895 11.521 10.940 10.847 10.760 10.680 10.605 10.537 10.473 10.415 10.361 10.312 10.267 10.226 10.188 10.154 10.124 10.096 10.072 10.050 10.030 10.013 9.999 PrO2- PrO2- P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 4.000 Ref: Shock07 3 -4.000 1 2.000 2 1.000 53 42.195 37.585 33.841 30.747 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.195 37.585 33.841 30.747 28.156 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.196 37.586 33.842 30.748 28.157 25.963 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.197 37.587 33.843 30.749 28.158 25.964 24.089 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.199 37.589 33.845 30.751 28.160 25.966 24.091 22.475 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.202 37.592 33.848 30.754 28.162 25.969 24.093 22.477 21.075 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.206 37.597 33.852 30.758 28.167 25.973 24.097 22.481 21.079 19.855 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.213 37.604 33.859 30.764 28.173 25.979 24.103 22.487 21.085 19.860 18.784 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.222 37.613 33.868 30.773 28.181 25.987 24.111 22.495 21.093 19.868 18.792 17.844 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.234 37.625 33.880 30.784 28.192 25.997 24.122 22.506 21.103 19.879 18.803 17.855 17.035 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.250 37.641 33.895 30.799 28.206 26.011 24.135 22.519 21.117 19.893 18.818 17.870 17.044 16.397 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.270 37.662 33.915 30.818 28.225 26.029 24.153 22.536 21.134 19.911 18.836 17.889 17.061 16.375 16.081 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.286 37.677 33.930 30.833 28.239 26.043 24.166 22.550 21.148 19.924 18.850 17.905 17.076 16.374 15.889 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.308 37.699 33.952 30.853 28.258 26.062 24.185 22.568 21.166 19.943 18.870 17.926 17.099 16.386 15.797 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.329 37.721 33.973 30.873 28.278 26.081 24.203 22.587 21.185 19.962 18.890 17.948 17.122 16.407 15.781 20.883 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.350 37.742 33.993 30.893 28.297 26.099 24.222 22.605 21.203 19.980 18.909 17.969 17.146 16.432 15.796 17.325 18.897 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.371 37.763 34.014 30.913 28.316 26.117 24.239 22.622 21.220 19.998 18.928 17.990 17.170 16.458 15.825 16.432 17.019 18.047 19.576 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.391 37.784 34.034 30.932 28.334 26.135 24.257 22.640 21.237 20.015 18.946 18.010 17.192 16.484 15.858 16.008 16.282 16.760 17.510 18.544 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.411 37.804 34.053 30.951 28.352 26.153 24.274 22.657 21.254 20.033 18.964 18.029 17.214 16.510 15.893 15.757 15.887 16.133 16.531 17.110 17.870 18.753 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.430 37.824 34.073 30.969 28.370 26.170 24.291 22.673 21.271 20.049 18.981 18.047 17.234 16.533 15.925 15.591 15.639 15.764 15.985 16.321 16.786 17.374 18.051 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.450 37.844 34.092 30.988 28.388 26.187 24.308 22.690 21.288 20.066 18.998 18.065 17.254 16.555 15.954 15.473 15.470 15.523 15.642 15.839 16.127 16.509 16.980 17.519 18.095 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.469 37.863 34.111 31.006 28.405 26.204 24.324 22.706 21.304 20.082 19.015 18.082 17.272 16.575 15.980 15.387 15.349 15.353 15.408 15.519 15.696 15.944 16.265 16.653 17.094 17.568 18.055 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.487 37.882 34.129 31.024 28.422 26.220 24.340 22.722 21.319 20.098 19.031 18.099 17.288 16.592 16.001 15.323 15.259 15.230 15.239 15.293 15.397 15.556 15.772 16.046 16.371 16.740 17.138 17.554 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.506 37.901 34.148 31.041 28.439 26.237 24.356 22.737 21.335 20.113 19.046 18.114 17.304 16.608 16.018 15.273 15.190 15.136 15.114 15.128 15.181 15.277 15.420 15.609 15.845 16.123 16.437 16.777 17.135 17.503 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.524 37.920 34.166 31.059 28.456 26.253 24.371 22.753 21.350 20.129 19.062 18.129 17.319 16.621 16.031 15.235 15.137 15.064 15.018 15.002 15.018 15.070 15.159 15.287 15.454 15.660 15.901 16.171 16.466 16.779 17.104 99999.999 99999.999 99999.999 99999.999 99999.999 42.542 37.938 34.183 31.076 28.472 26.268 24.387 22.768 21.365 20.144 19.076 18.144 17.333 16.633 16.041 15.205 15.095 15.007 14.943 14.904 14.893 14.911 14.960 15.042 15.158 15.307 15.488 15.698 15.935 16.193 16.468 16.757 17.057 99999.999 99999.999 99999.999 42.559 37.956 34.201 31.093 28.488 26.284 24.402 22.783 21.380 20.158 19.091 18.158 17.346 16.644 16.049 15.182 15.062 14.963 14.884 14.827 14.795 14.787 14.806 14.853 14.928 15.033 15.166 15.327 15.513 15.721 15.949 16.194 16.453 16.722 99999.999 99999.999 42.577 37.974 34.218 31.109 28.504 26.299 24.417 22.797 21.395 20.173 19.105 18.172 17.358 16.655 16.055 15.164 15.036 14.927 14.837 14.766 14.716 14.688 14.684 14.703 14.747 14.817 14.912 15.031 15.175 15.340 15.526 15.729 15.948 16.181 16.425 16.679 42.594 37.992 34.235 31.126 28.520 26.314 24.432 22.812 21.409 20.187 19.120 18.186 17.371 16.665 16.061 15.150 15.016 14.899 14.799 14.717 14.653 14.609 14.586 14.583 14.602 14.644 14.708 14.794 14.902 15.031 15.180 15.346 15.528 15.725 15.935 16.156 42.752 38.156 34.395 31.279 28.667 26.456 24.569 22.946 21.542 20.319 19.251 18.314 17.492 16.772 16.144 15.133 14.967 14.811 14.667 14.533 14.410 14.297 14.195 14.102 14.019 13.946 13.883 13.829 13.785 13.750 13.725 13.709 13.702 13.703 13.713 13.732 42.893 38.303 34.539 31.417 28.799 26.582 24.691 23.065 21.658 20.435 19.366 18.428 17.604 16.879 16.243 15.197 15.020 14.853 14.695 14.547 14.407 14.275 14.152 14.036 13.928 13.826 13.732 13.645 13.564 13.489 13.421 13.358 13.301 13.250 13.203 13.162 43.019 38.437 34.670 31.543 28.919 26.697 24.801 23.172 21.763 20.539 19.469 18.531 17.706 16.979 16.339 15.279 15.098 14.926 14.763 14.608 14.462 14.323 14.191 14.067 13.949 13.837 13.732 13.633 13.539 13.450 13.367 13.288 13.214 13.145 13.079 13.018 43.134 38.560 34.791 31.659 29.030 26.803 24.903 23.270 21.859 20.633 19.562 18.624 17.799 17.072 16.430 15.363 15.180 15.006 14.841 14.683 14.534 14.391 14.256 14.128 14.006 13.890 13.780 13.675 13.576 13.482 13.392 13.307 13.226 13.149 13.076 13.007 43.240 38.675 34.904 31.768 29.134 26.902 24.998 23.362 21.948 20.719 19.648 18.709 17.883 17.156 16.514 15.445 15.261 15.086 14.919 14.760 14.609 14.465 14.329 14.198 14.074 13.956 13.844 13.737 13.635 13.538 13.446 13.358 13.274 13.194 13.118 13.046 43.339 38.783 35.011 31.870 29.232 26.996 25.087 23.447 22.030 20.800 19.727 18.787 17.961 17.234 16.592 15.522 15.337 15.162 14.995 14.835 14.684 14.539 14.401 14.270 14.145 14.026 13.913 13.805 13.702 13.603 13.510 13.421 13.335 13.254 13.177 13.103 43.432 38.886 35.112 31.968 29.324 27.084 25.172 23.528 22.109 20.876 19.801 18.860 18.034 17.306 16.664 15.594 15.409 15.234 15.066 14.907 14.755 14.610 14.472 14.340 14.215 14.095 13.981 13.873 13.769 13.670 13.576 13.486 13.401 13.319 13.241 13.166 99999.999 38.984 35.209 32.061 29.413 27.169 25.252 23.606 22.183 20.948 19.871 18.929 18.102 17.374 16.732 15.661 15.477 15.301 15.134 14.974 14.822 14.677 14.539 14.407 14.281 14.162 14.047 13.939 13.835 13.736 13.642 13.552 13.466 13.384 13.305 13.231 PrNO3+2 PrNO3+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 6 -1.000 1 -1.000 2 -1.000 6 1.000 53 1.000 32 1.000 4 92.824 84.803 77.880 71.861 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.824 84.803 77.880 71.861 66.577 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.825 84.804 77.881 71.862 66.577 61.894 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.827 84.806 77.883 71.863 66.579 61.896 57.708 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.830 84.809 77.885 71.866 66.581 61.898 57.711 53.933 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.836 84.813 77.890 71.870 66.585 61.902 57.715 53.937 50.500 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.844 84.820 77.896 71.876 66.591 61.908 57.721 53.944 50.507 47.353 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.856 84.830 77.905 71.884 66.600 61.917 57.730 53.953 50.518 47.365 44.439 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.872 84.844 77.918 71.896 66.611 61.929 57.742 53.966 50.532 47.381 44.458 41.712 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.893 84.862 77.934 71.912 66.627 61.944 57.758 53.983 50.551 47.402 44.484 41.745 39.131 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.920 84.886 77.956 71.933 66.647 61.964 57.779 54.005 50.575 47.429 44.517 41.787 39.189 36.655 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.956 84.916 77.984 71.959 66.673 61.990 57.805 54.033 50.605 47.464 44.558 41.840 39.260 36.759 34.203 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.983 84.939 78.005 71.979 66.692 62.010 57.826 54.055 50.628 47.490 44.589 41.879 39.313 36.835 34.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.021 84.972 78.035 72.008 66.720 62.038 57.854 54.085 50.661 47.527 44.632 41.932 39.385 36.937 34.479 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.059 85.005 78.065 72.036 66.748 62.065 57.882 54.114 50.693 47.562 44.673 41.984 39.452 37.032 34.627 31.020 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.096 85.037 78.094 72.064 66.775 62.092 57.910 54.143 50.724 47.597 44.714 42.033 39.516 37.120 34.762 31.044 30.283 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.133 85.068 78.123 72.091 66.801 62.119 57.937 54.172 50.755 47.631 44.752 42.080 39.576 37.202 34.886 31.106 30.348 29.585 28.732 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.169 85.099 78.151 72.118 66.827 62.145 57.964 54.200 50.785 47.663 44.790 42.125 39.633 37.278 35.000 31.182 30.424 29.675 28.919 28.116 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.204 85.130 78.179 72.144 66.853 62.171 57.990 54.227 50.814 47.696 44.826 42.168 39.686 37.348 35.102 31.258 30.504 29.760 29.023 28.279 27.507 26.677 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.239 85.160 78.207 72.171 66.879 62.196 58.016 54.254 50.843 47.727 44.862 42.209 39.737 37.413 35.196 31.332 30.582 29.843 29.114 28.389 27.660 26.914 26.136 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.274 85.190 78.234 72.196 66.904 62.221 58.042 54.281 50.871 47.758 44.896 42.249 39.784 37.474 35.280 31.402 30.656 29.922 29.199 28.484 27.774 27.061 26.339 25.598 24.834 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.308 85.219 78.261 72.222 66.929 62.246 58.067 54.307 50.899 47.788 44.929 42.287 39.830 37.530 35.356 31.469 30.727 29.998 29.280 28.572 27.872 27.176 26.480 25.780 25.071 24.350 23.617 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.341 85.248 78.287 72.247 66.953 62.270 58.091 54.332 50.926 47.817 44.962 42.324 39.873 37.582 35.424 31.533 30.795 30.070 29.357 28.654 27.961 27.275 26.595 25.917 25.238 24.556 23.870 23.180 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.375 85.277 78.314 72.272 66.977 62.294 58.116 54.358 50.952 47.846 44.993 42.359 39.914 37.631 35.486 31.594 30.859 30.138 29.429 28.732 28.045 27.366 26.695 26.030 25.369 24.711 24.054 23.397 22.743 22.093 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.407 85.305 78.340 72.296 67.001 62.318 58.140 54.382 50.979 47.874 45.024 42.393 39.952 37.676 35.541 31.653 30.921 30.203 29.498 28.805 28.123 27.451 26.787 26.131 25.482 24.838 24.199 23.564 22.934 22.309 21.692 99999.999 99999.999 99999.999 99999.999 99999.999 93.440 85.333 78.365 72.320 67.024 62.341 58.163 54.407 51.004 47.901 45.054 42.426 39.990 37.719 35.592 31.709 30.980 30.266 29.564 28.875 28.197 27.530 26.872 26.223 25.582 24.949 24.322 23.701 23.087 22.480 21.882 21.292 20.715 99999.999 99999.999 99999.999 93.471 85.361 78.390 72.344 67.048 62.364 58.186 54.431 51.029 47.928 45.083 42.459 40.025 37.759 35.638 31.763 31.037 30.326 29.627 28.942 28.268 27.605 26.952 26.309 25.674 25.048 24.430 23.820 23.217 22.623 22.037 21.461 20.896 20.343 99999.999 99999.999 93.503 85.388 78.415 72.368 67.071 62.387 58.209 54.454 51.054 47.955 45.112 42.490 40.060 37.797 35.681 31.815 31.092 30.383 29.688 29.005 28.335 27.676 27.027 26.389 25.760 25.140 24.528 23.926 23.331 22.746 22.170 21.603 21.047 20.503 19.973 19.456 93.534 85.415 78.440 72.391 67.093 62.409 58.232 54.478 51.079 47.981 45.140 42.520 40.093 37.834 35.722 31.866 31.145 30.439 29.746 29.067 28.399 27.744 27.099 26.464 25.840 25.225 24.619 24.022 23.435 22.856 22.287 21.728 21.179 20.642 20.117 19.605 93.824 85.667 78.671 72.610 67.305 62.619 58.443 54.694 51.304 48.219 45.395 42.795 40.392 38.159 36.077 32.295 31.592 30.904 30.231 29.573 28.928 28.296 27.676 27.068 26.471 25.885 25.310 24.745 24.189 23.643 23.107 22.579 22.061 21.552 21.052 20.561 94.083 85.893 78.879 72.807 67.496 62.806 58.631 54.885 51.501 48.425 45.613 43.028 40.641 38.427 36.366 32.633 31.941 31.265 30.604 29.958 29.326 28.708 28.103 27.510 26.928 26.358 25.799 25.250 24.712 24.183 23.663 23.152 22.650 22.157 21.672 21.195 94.318 86.099 79.069 72.987 67.669 62.977 58.801 55.057 51.677 48.608 45.804 43.230 40.856 38.656 36.610 32.913 32.229 31.561 30.909 30.272 29.650 29.041 28.445 27.862 27.291 26.732 26.183 25.646 25.118 24.601 24.093 23.594 23.104 22.622 22.149 21.683 94.532 86.287 79.243 73.152 67.828 63.133 58.956 55.213 51.837 48.772 45.975 43.409 41.045 38.856 36.823 33.153 32.475 31.814 31.168 30.538 29.922 29.320 28.731 28.156 27.592 27.041 26.500 25.971 25.452 24.943 24.443 23.953 23.472 22.999 22.535 22.078 94.730 86.462 79.404 73.304 67.976 63.277 59.099 55.357 51.982 48.921 46.129 43.570 41.213 39.034 37.010 33.363 32.690 32.033 31.393 30.767 30.157 29.560 28.978 28.408 27.850 27.304 26.770 26.247 25.734 25.232 24.739 24.255 23.781 23.315 22.857 22.408 94.915 86.624 79.554 73.446 68.113 63.411 59.232 55.489 52.116 49.058 46.270 43.716 41.366 39.194 37.178 33.549 32.880 32.227 31.591 30.970 30.364 29.771 29.193 28.628 28.075 27.534 27.005 26.486 25.979 25.481 24.993 24.515 24.046 23.585 23.133 22.689 95.088 86.777 79.694 73.579 68.241 63.536 59.356 55.613 52.241 49.185 46.400 43.850 41.505 39.339 37.330 33.716 33.050 32.401 31.768 31.150 30.548 29.959 29.384 28.823 28.274 27.737 27.211 26.697 26.193 25.700 25.216 24.742 24.277 23.821 23.373 22.933 99999.999 86.921 79.826 73.704 68.361 63.654 59.472 55.729 52.358 49.303 46.521 43.974 41.633 39.472 37.469 33.868 33.204 32.558 31.928 31.313 30.713 30.128 29.556 28.997 28.452 27.918 27.395 26.884 26.384 25.894 25.414 24.943 24.481 24.029 23.584 23.148 PrH2PO4+2 PrH2PO4+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 3 1.000 1 1.000 27 1.000 53 -9.987 -9.595 -9.453 -9.461 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.987 -9.595 -9.453 -9.461 -9.575 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.986 -9.594 -9.453 -9.461 -9.574 -9.769 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.984 -9.593 -9.451 -9.459 -9.573 -9.767 -10.031 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.982 -9.591 -9.449 -9.457 -9.570 -9.765 -10.029 -10.354 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.978 -9.587 -9.446 -9.454 -9.567 -9.761 -10.024 -10.349 -10.735 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.936 -9.549 -9.409 -9.418 -9.529 -9.721 -9.980 -10.300 -10.676 -11.115 -11.627 -12.239 -12.991 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.916 -9.531 -9.392 -9.400 -9.511 -9.702 -9.959 -10.276 -10.648 -11.081 -11.584 -12.179 -12.903 -13.831 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.890 -9.508 -9.369 -9.378 -9.488 -9.678 -9.933 -10.246 -10.613 -11.039 -11.530 -12.106 -12.797 -13.666 -14.915 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.870 -9.490 -9.352 -9.361 -9.471 -9.659 -9.912 -10.223 -10.587 -11.007 -11.490 -12.051 -12.719 -13.546 -14.721 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.843 -9.464 -9.328 -9.336 -9.446 -9.633 -9.883 -10.190 -10.550 -10.962 -11.434 -11.977 -12.613 -13.387 -14.458 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.815 -9.440 -9.304 -9.312 -9.421 -9.607 -9.855 -10.159 -10.513 -10.919 -11.380 -11.906 -12.514 -13.241 -14.218 -14.949 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.789 -9.415 -9.280 -9.289 -9.397 -9.581 -9.828 -10.128 -10.478 -10.877 -11.329 -11.839 -12.422 -13.107 -14.001 -14.836 -15.161 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.763 -9.391 -9.257 -9.266 -9.374 -9.556 -9.800 -10.098 -10.444 -10.837 -11.279 -11.775 -12.336 -12.983 -13.804 -14.720 -15.015 -15.360 -15.893 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.737 -9.367 -9.234 -9.243 -9.350 -9.532 -9.774 -10.068 -10.410 -10.798 -11.232 -11.715 -12.255 -12.869 -13.626 -14.593 -14.880 -15.187 -15.539 -16.004 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.711 -9.344 -9.212 -9.221 -9.327 -9.508 -9.748 -10.039 -10.378 -10.760 -11.186 -11.658 -12.179 -12.765 -13.465 -14.471 -14.748 -15.039 -15.352 -15.705 -16.135 -16.689 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.687 -9.321 -9.190 -9.199 -9.305 -9.484 -9.722 -10.011 -10.346 -10.723 -11.142 -11.603 -12.109 -12.669 -13.321 -14.355 -14.623 -14.902 -15.196 -15.511 -15.862 -16.267 -16.753 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.662 -9.299 -9.168 -9.177 -9.283 -9.461 -9.697 -9.984 -10.314 -10.687 -11.099 -11.551 -12.042 -12.580 -13.192 -14.246 -14.506 -14.775 -15.055 -15.350 -15.666 -16.010 -16.396 -16.836 -17.337 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.638 -9.276 -9.146 -9.156 -9.261 -9.438 -9.673 -9.956 -10.284 -10.652 -11.058 -11.501 -11.980 -12.499 -13.077 -14.144 -14.396 -14.656 -14.925 -15.206 -15.501 -15.814 -16.152 -16.520 -16.926 -17.372 -17.857 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.615 -9.255 -9.125 -9.135 -9.239 -9.415 -9.648 -9.930 -10.254 -10.618 -11.019 -11.454 -11.922 -12.425 -12.975 -14.047 -14.292 -14.544 -14.804 -15.074 -15.354 -15.648 -15.957 -16.286 -16.639 -17.017 -17.422 -17.851 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.592 -9.233 -9.104 -9.114 -9.218 -9.393 -9.625 -9.904 -10.225 -10.585 -10.980 -11.408 -11.867 -12.357 -12.884 -13.956 -14.194 -14.439 -14.691 -14.951 -15.220 -15.499 -15.791 -16.095 -16.415 -16.752 -17.107 -17.479 -17.866 -18.262 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.569 -9.212 -9.084 -9.093 -9.197 -9.371 -9.601 -9.878 -10.197 -10.552 -10.943 -11.364 -11.815 -12.294 -12.803 -13.868 -14.101 -14.339 -14.584 -14.836 -15.096 -15.364 -15.641 -15.929 -16.228 -16.538 -16.861 -17.196 -17.541 -17.894 -18.251 99999.999 99999.999 99999.999 99999.999 99999.999 -9.547 -9.191 -9.064 -9.073 -9.177 -9.350 -9.578 -9.853 -10.169 -10.521 -10.907 -11.323 -11.766 -12.235 -12.731 -13.785 -14.012 -14.245 -14.483 -14.728 -14.979 -15.238 -15.505 -15.779 -16.063 -16.355 -16.656 -16.965 -17.282 -17.605 -17.931 -18.256 -18.576 99999.999 99999.999 99999.999 -9.525 -9.170 -9.044 -9.053 -9.156 -9.329 -9.556 -9.828 -10.141 -10.490 -10.871 -11.282 -11.719 -12.181 -12.666 -13.706 -13.928 -14.155 -14.387 -14.625 -14.870 -15.121 -15.378 -15.642 -15.913 -16.192 -16.477 -16.768 -17.065 -17.366 -17.670 -17.972 -18.272 -18.565 99999.999 99999.999 -9.503 -9.150 -9.024 -9.034 -9.136 -9.308 -9.533 -9.804 -10.114 -10.460 -10.837 -11.243 -11.674 -12.129 -12.606 -13.629 -13.847 -14.069 -14.296 -14.528 -14.766 -15.010 -15.259 -15.515 -15.776 -16.044 -16.316 -16.594 -16.876 -17.162 -17.448 -17.735 -18.018 -18.296 -18.567 -18.827 -9.482 -9.130 -9.004 -9.014 -9.117 -9.287 -9.511 -9.780 -10.088 -10.430 -10.804 -11.205 -11.631 -12.080 -12.550 -13.556 -13.769 -13.987 -14.209 -14.436 -14.668 -14.905 -15.148 -15.396 -15.649 -15.907 -16.170 -16.437 -16.707 -16.980 -17.254 -17.528 -17.800 -18.067 -18.328 -18.580 -9.288 -8.944 -8.823 -8.833 -8.932 -9.096 -9.309 -9.562 -9.848 -10.163 -10.505 -10.869 -11.252 -11.653 -12.070 -12.945 -13.128 -13.312 -13.500 -13.690 -13.882 -14.077 -14.275 -14.476 -14.679 -14.885 -15.093 -15.304 -15.516 -15.730 -15.946 -16.163 -16.380 -16.598 -16.815 -17.031 -9.122 -8.781 -8.661 -8.672 -8.768 -8.926 -9.131 -9.372 -9.642 -9.938 -10.255 -10.592 -10.945 -11.312 -11.691 -12.480 -12.643 -12.807 -12.973 -13.141 -13.310 -13.482 -13.654 -13.829 -14.005 -14.184 -14.363 -14.545 -14.728 -14.913 -15.099 -15.286 -15.475 -15.665 -15.855 -16.047 -8.979 -8.635 -8.517 -8.526 -8.620 -8.774 -8.972 -9.203 -9.462 -9.742 -10.041 -10.356 -10.685 -11.026 -11.377 -12.103 -12.252 -12.402 -12.553 -12.705 -12.859 -13.013 -13.169 -13.326 -13.485 -13.644 -13.805 -13.967 -14.131 -14.296 -14.461 -14.629 -14.797 -14.966 -15.137 -15.308 -8.853 -8.505 -8.385 -8.394 -8.486 -8.636 -8.828 -9.052 -9.301 -9.569 -9.853 -10.152 -10.462 -10.782 -11.110 -11.786 -11.924 -12.063 -12.203 -12.344 -12.486 -12.628 -12.771 -12.916 -13.061 -13.207 -13.354 -13.502 -13.651 -13.801 -13.952 -14.105 -14.258 -14.412 -14.567 -14.723 -8.741 -8.387 -8.265 -8.272 -8.362 -8.508 -8.696 -8.914 -9.155 -9.413 -9.686 -9.971 -10.265 -10.568 -10.878 -11.514 -11.644 -11.774 -11.905 -12.036 -12.169 -12.302 -12.435 -12.570 -12.705 -12.840 -12.977 -13.114 -13.252 -13.391 -13.531 -13.671 -13.813 -13.955 -14.098 -14.242 -8.641 -8.278 -8.154 -8.160 -8.247 -8.391 -8.575 -8.787 -9.022 -9.272 -9.535 -9.809 -10.090 -10.379 -10.674 -11.277 -11.399 -11.522 -11.646 -11.770 -11.894 -12.020 -12.145 -12.272 -12.399 -12.526 -12.654 -12.783 -12.912 -13.042 -13.173 -13.305 -13.437 -13.570 -13.704 -13.838 -8.550 -8.177 -8.051 -8.055 -8.140 -8.281 -8.462 -8.670 -8.899 -9.142 -9.398 -9.662 -9.933 -10.209 -10.491 -11.066 -11.183 -11.300 -11.417 -11.535 -11.653 -11.772 -11.892 -12.011 -12.131 -12.252 -12.373 -12.495 -12.618 -12.741 -12.864 -12.989 -13.113 -13.239 -13.365 -13.492 99999.999 -8.083 -7.955 -7.958 -8.041 -8.179 -8.356 -8.560 -8.784 -9.022 -9.271 -9.527 -9.789 -10.056 -10.327 -10.878 -10.989 -11.101 -11.214 -11.326 -11.439 -11.553 -11.667 -11.781 -11.896 -12.011 -12.126 -12.242 -12.359 -12.476 -12.594 -12.712 -12.831 -12.951 -13.071 -13.192 Nd+2 Nd(+2) P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 5 -1.125 1 -0.125 4 1.000 54 0.125 6 0.500 2 53.686 48.485 44.061 40.255 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.686 48.485 44.061 40.255 36.944 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.686 48.485 44.061 40.255 36.944 34.035 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.687 48.486 44.062 40.256 36.945 34.036 31.457 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.689 48.487 44.063 40.257 36.946 34.037 31.458 29.152 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.691 48.490 44.065 40.259 36.948 34.039 31.460 29.154 27.077 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.694 48.493 44.068 40.262 36.951 34.042 31.463 29.157 27.080 25.197 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.699 48.497 44.073 40.266 36.955 34.046 31.467 29.161 27.085 25.201 23.480 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.706 48.504 44.079 40.272 36.961 34.052 31.472 29.167 27.091 25.208 23.487 21.904 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.715 48.512 44.087 40.280 36.968 34.059 31.480 29.175 27.099 25.216 23.497 21.915 20.457 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.726 48.523 44.097 40.290 36.978 34.069 31.490 29.185 27.109 25.228 23.509 21.929 20.472 19.146 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.741 48.538 44.111 40.303 36.991 34.081 31.502 29.197 27.123 25.242 23.525 21.947 20.492 19.154 18.028 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.753 48.548 44.121 40.313 37.000 34.091 31.512 29.207 27.133 25.253 23.537 21.961 20.508 19.166 17.956 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.769 48.564 44.136 40.327 37.014 34.104 31.525 29.221 27.147 25.268 23.554 21.981 20.531 19.190 17.939 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.785 48.579 44.151 40.341 37.028 34.118 31.539 29.235 27.161 25.283 23.570 22.000 20.554 19.216 17.957 18.810 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.801 48.595 44.165 40.355 37.042 34.131 31.552 29.248 27.175 25.298 23.587 22.019 20.576 19.243 17.987 17.070 17.518 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.817 48.610 44.180 40.369 37.055 34.144 31.565 29.262 27.189 25.312 23.602 22.037 20.598 19.270 18.022 16.650 16.614 16.798 17.227 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.833 48.625 44.194 40.383 37.068 34.157 31.578 29.275 27.203 25.326 23.618 22.055 20.619 19.295 18.057 16.460 16.272 16.189 16.242 16.436 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.849 48.640 44.208 40.396 37.081 34.170 31.591 29.288 27.216 25.340 23.633 22.071 20.639 19.320 18.092 16.353 16.096 15.901 15.785 15.761 15.827 15.953 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.864 48.655 44.222 40.410 37.094 34.183 31.604 29.301 27.229 25.354 23.647 22.088 20.657 19.343 18.123 16.287 15.992 15.739 15.538 15.398 15.324 15.313 15.347 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.879 48.669 44.236 40.423 37.107 34.196 31.616 29.313 27.242 25.367 23.662 22.103 20.675 19.364 18.152 16.244 15.924 15.637 15.388 15.182 15.024 14.916 14.855 14.829 14.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.894 48.684 44.250 40.436 37.120 34.208 31.629 29.326 27.255 25.381 23.676 22.118 20.692 19.383 18.178 16.215 15.879 15.570 15.290 15.044 14.833 14.662 14.531 14.435 14.369 14.322 14.284 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.910 48.698 44.264 40.449 37.133 34.220 31.641 29.338 27.267 25.394 23.689 22.133 20.708 19.401 18.200 16.196 15.849 15.524 15.224 14.950 14.706 14.493 14.312 14.163 14.043 13.949 13.872 13.808 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.924 48.712 44.277 40.462 37.145 34.233 31.653 29.350 27.280 25.406 23.703 22.147 20.723 19.417 18.219 16.184 15.828 15.492 15.177 14.885 14.617 14.375 14.159 13.972 13.810 13.674 13.558 13.460 13.375 13.300 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.939 48.727 44.291 40.475 37.157 34.245 31.665 29.362 27.292 25.419 23.716 22.161 20.737 19.432 18.236 16.176 15.814 15.469 15.144 14.838 14.553 14.290 14.050 13.834 13.641 13.471 13.322 13.192 13.078 12.977 12.887 99999.999 99999.999 99999.999 99999.999 99999.999 53.954 48.741 44.304 40.488 37.170 34.257 31.677 29.374 27.304 25.431 23.729 22.174 20.751 19.446 18.250 16.172 15.805 15.454 15.120 14.804 14.507 14.229 13.970 13.733 13.516 13.319 13.143 12.985 12.844 12.718 12.605 12.504 12.413 99999.999 99999.999 99999.999 53.969 48.755 44.317 40.501 37.182 34.269 31.689 29.386 27.316 25.444 23.741 22.187 20.764 19.459 18.262 16.171 15.800 15.444 15.104 14.780 14.473 14.183 13.911 13.657 13.421 13.205 13.006 12.825 12.661 12.512 12.377 12.255 12.145 12.045 99999.999 99999.999 53.983 48.768 44.331 40.513 37.194 34.280 31.700 29.398 27.328 25.456 23.754 22.200 20.777 19.471 18.273 16.173 15.798 15.438 15.092 14.762 14.448 14.149 13.866 13.600 13.350 13.117 12.901 12.701 12.517 12.348 12.193 12.052 11.922 11.805 11.697 11.601 53.998 48.782 44.344 40.526 37.206 34.292 31.712 29.409 27.340 25.468 23.766 22.212 20.789 19.483 18.284 16.176 15.798 15.434 15.085 14.750 14.430 14.124 13.832 13.556 13.295 13.049 12.819 12.604 12.403 12.217 12.045 11.886 11.740 11.605 11.481 11.367 54.136 48.915 44.470 40.646 37.322 34.405 31.822 29.519 27.450 25.580 23.881 22.329 20.907 19.599 18.394 16.251 15.861 15.483 15.116 14.760 14.415 14.080 13.755 13.441 13.135 12.839 12.553 12.275 12.006 11.746 11.494 11.251 11.016 10.789 10.570 10.358 54.267 49.040 44.589 40.759 37.431 34.510 31.925 29.620 27.551 25.682 23.985 22.435 21.014 19.707 18.502 16.351 15.958 15.576 15.205 14.844 14.493 14.152 13.820 13.497 13.182 12.875 12.577 12.286 12.002 11.726 11.456 11.194 10.937 10.687 10.444 10.206 54.391 49.160 44.703 40.868 37.534 34.609 32.022 29.715 27.646 25.777 24.080 22.532 21.113 19.807 18.602 16.451 16.057 15.675 15.302 14.940 14.588 14.245 13.910 13.584 13.267 12.957 12.655 12.361 12.073 11.792 11.517 11.249 10.987 10.730 10.479 10.234 54.510 49.275 44.812 40.971 37.633 34.705 32.114 29.806 27.735 25.865 24.169 22.621 21.204 19.900 18.696 16.546 16.152 15.770 15.397 15.035 14.682 14.339 14.004 13.677 13.359 13.049 12.746 12.450 12.161 11.879 11.603 11.333 11.069 10.810 10.557 10.309 54.626 49.386 44.918 41.072 37.729 34.796 32.203 29.892 27.819 25.949 24.252 22.705 21.289 19.986 18.783 16.635 16.242 15.859 15.487 15.125 14.773 14.429 14.094 13.768 13.450 13.139 12.836 12.540 12.251 11.969 11.693 11.423 11.158 10.899 10.646 10.398 54.738 49.495 45.020 41.169 37.822 34.885 32.288 29.975 27.900 26.029 24.332 22.785 21.368 20.066 18.865 16.719 16.326 15.944 15.572 15.210 14.858 14.515 14.181 13.855 13.537 13.226 12.924 12.628 12.339 12.057 11.781 11.511 11.247 10.988 10.735 10.487 54.847 49.601 45.121 41.264 37.912 34.972 32.371 30.055 27.979 26.106 24.408 22.860 21.444 20.142 18.942 16.798 16.405 16.023 15.652 15.291 14.939 14.596 14.262 13.936 13.619 13.309 13.006 12.711 12.423 12.141 11.865 11.596 11.332 11.074 10.821 10.573 99999.999 49.705 45.219 41.357 38.000 35.056 32.452 30.134 28.055 26.180 24.481 22.933 21.516 20.215 19.014 16.872 16.480 16.098 15.727 15.366 15.015 14.672 14.338 14.013 13.696 13.386 13.084 12.789 12.501 12.220 11.945 11.676 11.412 11.155 10.902 10.655 Nd+4 Nd(+4) P-T:All Charge = 4. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 5 1.125 1 0.125 4 1.000 54 -0.125 6 -0.500 2 85.448 79.058 73.571 68.814 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.448 79.058 73.571 68.814 64.652 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.448 79.058 73.571 68.814 64.652 60.981 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.448 79.058 73.571 68.814 64.652 60.981 57.718 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.448 79.058 73.571 68.814 64.652 60.980 57.718 54.801 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.448 79.058 73.570 68.813 64.651 60.980 57.717 54.800 52.176 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.449 79.058 73.570 68.813 64.651 60.979 57.716 54.799 52.175 49.804 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.449 79.058 73.570 68.812 64.650 60.978 57.715 54.797 52.173 49.802 47.653 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.450 79.058 73.569 68.811 64.649 60.976 57.713 54.794 52.170 49.798 47.648 45.692 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.451 79.058 73.568 68.810 64.647 60.974 57.710 54.791 52.166 49.793 47.642 45.685 43.889 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.452 79.057 73.567 68.809 64.645 60.971 57.707 54.787 52.161 49.787 47.634 45.675 43.879 42.185 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.453 79.057 73.566 68.807 64.642 60.968 57.703 54.782 52.154 49.779 47.624 45.662 43.865 42.192 40.455 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.455 79.057 73.565 68.805 64.640 60.966 57.699 54.778 52.149 49.773 47.616 45.651 43.853 42.187 40.580 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.457 79.057 73.564 68.803 64.638 60.962 57.695 54.772 52.143 49.765 47.605 45.637 43.834 42.171 40.629 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.459 79.057 73.563 68.801 64.635 60.959 57.691 54.767 52.136 49.757 47.595 45.623 43.816 42.150 40.626 33.228 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.461 79.057 73.562 68.800 64.633 60.956 57.687 54.762 52.130 49.749 47.585 45.610 43.798 42.127 40.603 35.928 34.108 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.463 79.057 73.561 68.798 64.630 60.952 57.683 54.757 52.124 49.741 47.575 45.597 43.781 42.104 40.571 36.577 35.507 34.122 32.357 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.466 79.057 73.560 68.796 64.628 60.949 57.679 54.752 52.118 49.734 47.566 45.585 43.764 42.082 40.538 36.878 36.039 35.070 33.914 32.551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.468 79.058 73.559 68.795 64.626 60.947 57.675 54.747 52.112 49.727 47.557 45.574 43.749 42.061 40.506 37.052 36.319 35.521 34.629 33.619 32.485 31.264 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.471 79.058 73.559 68.793 64.624 60.944 57.672 54.743 52.107 49.720 47.549 45.563 43.735 42.042 40.476 37.166 36.491 35.781 35.020 34.191 33.283 32.297 31.252 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.473 79.059 73.558 68.792 64.622 60.941 57.668 54.739 52.101 49.714 47.541 45.553 43.722 42.025 40.449 37.245 36.606 35.948 35.261 34.535 33.759 32.928 32.045 31.122 30.179 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.476 79.059 73.557 68.791 64.620 60.938 57.665 54.734 52.096 49.707 47.533 45.543 43.710 42.010 40.427 37.301 36.688 36.064 35.423 34.759 34.064 33.334 32.564 31.759 30.924 30.074 29.222 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.479 79.060 73.557 68.790 64.618 60.936 57.662 54.730 52.091 49.701 47.526 45.535 43.700 41.997 40.409 37.343 36.747 36.147 35.537 34.914 34.273 33.608 32.916 32.197 31.451 30.686 29.907 29.124 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.482 79.060 73.557 68.788 64.616 60.934 57.658 54.726 52.086 49.695 47.519 45.526 43.690 41.986 40.394 37.375 36.792 36.208 35.621 35.027 34.421 33.801 33.164 32.507 31.829 31.133 30.421 29.700 28.973 28.246 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.485 79.061 73.556 68.787 64.614 60.931 57.655 54.723 52.081 49.690 47.512 45.518 43.681 41.976 40.383 37.398 36.825 36.255 35.684 35.110 34.531 33.943 33.344 32.732 32.105 31.463 30.808 30.141 29.466 28.786 28.104 99999.999 99999.999 99999.999 99999.999 99999.999 85.487 79.062 73.556 68.786 64.613 60.929 57.652 54.719 52.077 49.684 47.506 45.511 43.673 41.968 40.374 37.416 36.851 36.291 35.732 35.174 34.615 34.050 33.480 32.901 32.311 31.712 31.101 30.480 29.851 29.215 28.575 27.932 27.288 99999.999 99999.999 99999.999 85.491 79.063 73.556 68.785 64.611 60.927 57.650 54.715 52.072 49.679 47.500 45.504 43.666 41.961 40.368 37.430 36.871 36.318 35.770 35.224 34.679 34.132 33.583 33.029 32.469 31.902 31.326 30.743 30.152 29.555 28.953 28.347 27.738 27.128 99999.999 99999.999 85.494 79.064 73.556 68.784 64.610 60.925 57.647 54.712 52.068 49.674 47.494 45.498 43.659 41.955 40.364 37.440 36.886 36.340 35.799 35.263 34.729 34.197 33.664 33.129 32.591 32.049 31.502 30.949 30.390 29.826 29.257 28.684 28.108 27.529 26.949 26.367 85.497 79.065 73.555 68.784 64.608 60.923 57.644 54.708 52.064 49.669 47.488 45.491 43.653 41.949 40.360 37.448 36.898 36.357 35.822 35.293 34.769 34.247 33.728 33.208 32.688 32.166 31.640 31.112 30.579 30.042 29.502 28.958 28.411 27.862 27.310 26.757 85.532 79.077 73.557 68.778 64.597 60.906 57.622 54.679 52.028 49.625 47.436 45.433 43.591 41.888 40.307 37.446 36.915 36.396 35.888 35.392 34.905 34.428 33.960 33.500 33.048 32.604 32.166 31.735 31.309 30.889 30.474 30.064 29.657 29.255 28.857 28.462 85.572 79.095 73.563 68.777 64.590 60.894 57.605 54.658 52.000 49.590 47.395 45.386 43.538 41.832 40.250 37.398 36.871 36.357 35.856 35.367 34.889 34.422 33.965 33.518 33.081 32.653 32.233 31.823 31.420 31.025 30.637 30.257 29.883 29.517 29.156 28.802 85.617 79.115 73.572 68.779 64.587 60.887 57.593 54.641 51.978 49.563 47.362 45.347 43.494 41.783 40.197 37.343 36.817 36.305 35.805 35.317 34.841 34.376 33.923 33.479 33.046 32.623 32.209 31.804 31.407 31.020 30.640 30.268 29.904 29.547 29.198 28.856 85.664 79.138 73.584 68.784 64.587 60.882 57.585 54.629 51.962 49.542 47.336 45.316 43.457 41.741 40.151 37.292 36.765 36.251 35.751 35.263 34.787 34.323 33.870 33.427 32.995 32.572 32.159 31.756 31.361 30.975 30.598 30.229 29.867 29.514 29.167 28.828 85.713 79.164 73.599 68.791 64.589 60.880 57.579 54.619 51.949 49.525 47.315 45.290 43.426 41.706 40.111 37.245 36.717 36.202 35.701 35.212 34.736 34.270 33.817 33.374 32.941 32.518 32.105 31.701 31.307 30.921 30.544 30.175 29.813 29.460 29.114 28.776 85.764 79.191 73.615 68.800 64.593 60.881 57.576 54.613 51.939 49.511 47.297 45.268 43.401 41.676 40.077 37.203 36.674 36.158 35.656 35.166 34.688 34.222 33.767 33.323 32.889 32.466 32.052 31.648 31.252 30.866 30.488 30.118 29.756 29.403 29.056 28.717 85.817 79.219 73.632 68.811 64.599 60.882 57.574 54.608 51.931 49.501 47.283 45.250 43.379 41.651 40.048 37.167 36.636 36.119 35.615 35.124 34.645 34.178 33.722 33.277 32.842 32.418 32.003 31.597 31.201 30.814 30.435 30.064 29.702 29.347 29.000 28.660 99999.999 79.249 73.650 68.823 64.606 60.885 57.574 54.605 51.925 49.492 47.271 45.236 43.361 41.629 40.023 37.135 36.603 36.084 35.579 35.087 34.607 34.139 33.682 33.235 32.800 32.374 31.958 31.552 31.154 30.766 30.386 30.014 29.651 29.295 28.947 28.606 NdCO3+ NdCO3+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 3 -1.000 1 1.000 5 1.000 54 2.578 2.626 2.692 2.768 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.578 2.626 2.692 2.768 2.846 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.578 2.626 2.692 2.768 2.846 2.919 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.578 2.625 2.692 2.768 2.846 2.919 2.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.578 2.625 2.692 2.768 2.846 2.919 2.983 3.031 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.577 2.624 2.691 2.767 2.846 2.919 2.983 3.032 3.060 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.577 2.624 2.690 2.767 2.845 2.919 2.983 3.033 3.061 3.062 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.576 2.622 2.689 2.766 2.844 2.919 2.984 3.034 3.064 3.066 3.028 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.576 2.621 2.687 2.764 2.843 2.919 2.985 3.036 3.068 3.072 3.038 2.945 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.575 2.618 2.684 2.762 2.842 2.918 2.985 3.038 3.072 3.080 3.050 2.966 2.795 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.573 2.615 2.681 2.759 2.840 2.917 2.986 3.041 3.078 3.090 3.066 2.991 2.839 2.551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.571 2.610 2.677 2.755 2.837 2.916 2.987 3.045 3.085 3.101 3.085 3.022 2.891 2.645 2.114 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.569 2.607 2.673 2.752 2.835 2.915 2.987 3.047 3.090 3.110 3.099 3.045 2.928 2.710 2.258 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.566 2.602 2.667 2.747 2.831 2.913 2.988 3.050 3.097 3.121 3.118 3.075 2.978 2.794 2.423 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.562 2.596 2.662 2.742 2.828 2.911 2.988 3.053 3.103 3.132 3.135 3.103 3.022 2.868 2.560 1.442 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.559 2.590 2.656 2.737 2.824 2.909 2.988 3.055 3.108 3.142 3.151 3.129 3.063 2.935 2.680 2.278 1.827 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.555 2.584 2.650 2.732 2.820 2.907 2.987 3.057 3.113 3.151 3.166 3.152 3.101 2.995 2.784 2.509 2.295 1.952 1.353 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.550 2.578 2.644 2.726 2.815 2.904 2.986 3.059 3.118 3.160 3.180 3.174 3.135 3.049 2.876 2.653 2.508 2.310 2.022 1.588 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.546 2.571 2.637 2.721 2.811 2.901 2.985 3.060 3.122 3.167 3.193 3.194 3.166 3.097 2.958 2.762 2.651 2.510 2.324 2.072 1.725 1.256 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.541 2.565 2.630 2.715 2.806 2.898 2.984 3.061 3.126 3.175 3.205 3.213 3.194 3.141 3.029 2.852 2.762 2.651 2.513 2.339 2.113 1.821 1.449 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.536 2.558 2.624 2.709 2.801 2.894 2.982 3.062 3.129 3.181 3.216 3.230 3.220 3.180 3.092 2.928 2.853 2.762 2.653 2.519 2.355 2.150 1.897 1.589 1.223 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.531 2.551 2.617 2.702 2.796 2.891 2.981 3.062 3.132 3.188 3.226 3.246 3.244 3.215 3.148 2.995 2.931 2.855 2.765 2.657 2.528 2.373 2.186 1.963 1.700 1.397 1.058 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.525 2.544 2.610 2.696 2.791 2.887 2.979 3.062 3.135 3.193 3.236 3.261 3.266 3.247 3.196 3.055 3.000 2.935 2.859 2.769 2.664 2.540 2.394 2.222 2.023 1.795 1.538 1.256 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.519 2.536 2.602 2.690 2.786 2.883 2.976 3.062 3.137 3.198 3.245 3.274 3.285 3.275 3.238 3.109 3.062 3.006 2.940 2.864 2.776 2.673 2.554 2.417 2.259 2.080 1.880 1.659 1.420 1.167 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.513 2.529 2.595 2.683 2.780 2.879 2.974 3.062 3.139 3.203 3.253 3.287 3.303 3.300 3.274 3.159 3.117 3.069 3.012 2.947 2.871 2.784 2.685 2.571 2.442 2.297 2.136 1.958 1.765 1.560 1.346 99999.999 99999.999 99999.999 99999.999 99999.999 2.507 2.521 2.587 2.676 2.774 2.874 2.971 3.061 3.140 3.208 3.261 3.298 3.320 3.323 3.306 3.205 3.169 3.126 3.077 3.020 2.955 2.880 2.795 2.699 2.591 2.470 2.337 2.190 2.032 1.863 1.685 1.501 1.313 99999.999 99999.999 99999.999 2.500 2.513 2.579 2.669 2.769 2.870 2.968 3.060 3.142 3.212 3.268 3.309 3.335 3.344 3.334 3.247 3.216 3.179 3.136 3.086 3.029 2.964 2.891 2.808 2.716 2.613 2.501 2.377 2.244 2.103 1.953 1.798 1.639 1.478 99999.999 99999.999 2.493 2.505 2.572 2.662 2.763 2.865 2.965 3.059 3.143 3.215 3.274 3.319 3.349 3.362 3.358 3.286 3.259 3.227 3.190 3.146 3.096 3.040 2.976 2.904 2.824 2.736 2.639 2.533 2.420 2.299 2.171 2.039 1.902 1.764 1.625 1.488 2.486 2.496 2.564 2.655 2.756 2.861 2.962 3.057 3.144 3.218 3.280 3.328 3.362 3.380 3.381 3.323 3.300 3.272 3.239 3.201 3.158 3.108 3.052 2.989 2.919 2.842 2.758 2.666 2.568 2.464 2.354 2.239 2.120 2.000 1.879 1.758 2.405 2.406 2.476 2.576 2.688 2.805 2.921 3.033 3.138 3.235 3.321 3.397 3.461 3.514 3.555 3.598 3.600 3.600 3.597 3.591 3.583 3.572 3.558 3.541 3.521 3.498 3.473 3.445 3.414 3.380 3.344 3.306 3.265 3.223 3.179 3.135 2.307 2.303 2.379 2.487 2.610 2.739 2.868 2.994 3.115 3.229 3.335 3.431 3.519 3.597 3.666 3.773 3.790 3.805 3.818 3.829 3.838 3.846 3.851 3.855 3.857 3.857 3.855 3.851 3.845 3.837 3.828 3.816 3.803 3.789 3.773 3.756 2.196 2.190 2.272 2.390 2.523 2.663 2.804 2.943 3.078 3.207 3.329 3.443 3.550 3.648 3.737 3.892 3.919 3.944 3.968 3.991 4.012 4.032 4.050 4.067 4.082 4.095 4.107 4.118 4.127 4.135 4.141 4.145 4.148 4.150 4.150 4.149 2.074 2.068 2.158 2.286 2.430 2.581 2.733 2.884 3.031 3.173 3.309 3.438 3.560 3.675 3.782 3.974 4.009 4.043 4.075 4.106 4.136 4.165 4.192 4.218 4.243 4.266 4.288 4.309 4.328 4.347 4.363 4.379 4.393 4.406 4.418 4.428 1.944 1.940 2.039 2.176 2.331 2.492 2.655 2.817 2.976 3.130 3.278 3.420 3.556 3.685 3.807 4.030 4.072 4.112 4.151 4.189 4.226 4.261 4.296 4.329 4.361 4.392 4.422 4.451 4.478 4.504 4.529 4.553 4.575 4.597 4.617 4.636 1.807 1.807 1.914 2.062 2.227 2.399 2.573 2.745 2.914 3.079 3.238 3.393 3.540 3.682 3.817 4.067 4.114 4.159 4.204 4.248 4.290 4.332 4.372 4.411 4.450 4.487 4.523 4.557 4.591 4.624 4.655 4.685 4.714 4.742 4.769 4.795 1.664 1.669 1.785 1.943 2.119 2.302 2.486 2.668 2.847 3.022 3.192 3.356 3.515 3.668 3.814 4.088 4.139 4.190 4.240 4.288 4.336 4.382 4.427 4.472 4.515 4.557 4.598 4.638 4.677 4.715 4.752 4.787 4.821 4.855 4.887 4.918 99999.999 1.528 1.653 1.821 2.008 2.201 2.395 2.587 2.775 2.960 3.139 3.314 3.482 3.645 3.802 4.097 4.152 4.207 4.261 4.314 4.366 4.416 4.466 4.515 4.562 4.609 4.654 4.699 4.742 4.784 4.825 4.865 4.904 4.942 4.978 5.014 NdHCO3+2 NdHCO3+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 2 1.000 5 1.000 54 -1.772 -1.846 -2.015 -2.232 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.772 -1.846 -2.015 -2.232 -2.478 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.772 -1.846 -2.015 -2.232 -2.478 -2.745 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.772 -1.845 -2.015 -2.232 -2.477 -2.744 -3.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.771 -1.845 -2.015 -2.231 -2.477 -2.744 -3.029 -3.331 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.770 -1.845 -2.014 -2.231 -2.476 -2.743 -3.027 -3.329 -3.650 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.769 -1.844 -2.014 -2.230 -2.476 -2.742 -3.026 -3.327 -3.647 -3.991 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.767 -1.843 -2.013 -2.229 -2.474 -2.740 -3.024 -3.324 -3.643 -3.985 -4.359 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.764 -1.841 -2.011 -2.228 -2.473 -2.738 -3.021 -3.320 -3.638 -3.977 -4.348 -4.766 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.761 -1.839 -2.010 -2.226 -2.470 -2.735 -3.017 -3.315 -3.630 -3.967 -4.334 -4.744 -5.218 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.757 -1.837 -2.008 -2.224 -2.468 -2.731 -3.012 -3.308 -3.621 -3.955 -4.316 -4.717 -5.177 -5.727 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.751 -1.834 -2.005 -2.221 -2.464 -2.727 -3.005 -3.299 -3.610 -3.939 -4.294 -4.684 -5.127 -5.650 -6.330 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.748 -1.832 -2.004 -2.220 -2.462 -2.723 -3.001 -3.293 -3.601 -3.927 -4.277 -4.660 -5.090 -5.594 -6.256 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.743 -1.829 -2.002 -2.217 -2.459 -2.719 -2.994 -3.284 -3.589 -3.911 -4.255 -4.627 -5.041 -5.518 -6.138 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.738 -1.827 -2.000 -2.215 -2.456 -2.715 -2.989 -3.276 -3.578 -3.896 -4.234 -4.597 -4.995 -5.447 -6.023 -5.790 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.734 -1.825 -1.998 -2.213 -2.453 -2.711 -2.983 -3.268 -3.568 -3.882 -4.213 -4.568 -4.952 -5.382 -5.915 -6.175 -6.154 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.730 -1.823 -1.997 -2.212 -2.451 -2.707 -2.978 -3.261 -3.557 -3.868 -4.195 -4.541 -4.913 -5.323 -5.817 -6.227 -6.312 -6.369 -6.455 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.726 -1.822 -1.996 -2.210 -2.448 -2.704 -2.973 -3.254 -3.548 -3.855 -4.177 -4.516 -4.877 -5.269 -5.729 -6.217 -6.336 -6.440 -6.535 -6.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.723 -1.821 -1.995 -2.209 -2.447 -2.701 -2.968 -3.248 -3.539 -3.842 -4.160 -4.492 -4.843 -5.219 -5.649 -6.189 -6.320 -6.444 -6.561 -6.677 -6.809 -6.986 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.720 -1.820 -1.994 -2.208 -2.445 -2.698 -2.964 -3.241 -3.530 -3.831 -4.144 -4.470 -4.812 -5.174 -5.578 -6.155 -6.290 -6.422 -6.551 -6.677 -6.805 -6.946 -7.115 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.717 -1.819 -1.994 -2.207 -2.443 -2.695 -2.960 -3.235 -3.522 -3.819 -4.129 -4.450 -4.783 -5.134 -5.515 -6.119 -6.255 -6.390 -6.524 -6.656 -6.788 -6.924 -7.069 -7.233 -7.422 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.715 -1.818 -1.994 -2.207 -2.442 -2.693 -2.956 -3.230 -3.514 -3.809 -4.114 -4.430 -4.757 -5.097 -5.460 -6.082 -6.218 -6.355 -6.490 -6.625 -6.760 -6.896 -7.035 -7.182 -7.341 -7.515 -7.707 99999.999 99999.999 99999.999 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-6.339 -6.473 -6.607 -6.742 -6.877 -7.013 -7.150 -7.287 -7.425 -7.564 -7.704 -7.843 -7.981 -8.117 -8.249 99999.999 99999.999 99999.999 -1.708 -1.820 -1.996 -2.207 -2.439 -2.684 -2.941 -3.206 -3.480 -3.763 -4.053 -4.350 -4.654 -4.962 -5.275 -5.911 -6.041 -6.171 -6.303 -6.435 -6.568 -6.701 -6.835 -6.970 -7.105 -7.241 -7.376 -7.512 -7.648 -7.782 -7.916 -8.046 -8.173 -8.295 99999.999 99999.999 -1.707 -1.821 -1.997 -2.208 -2.439 -2.683 -2.938 -3.202 -3.474 -3.755 -4.042 -4.337 -4.637 -4.942 -5.251 -5.880 -6.008 -6.137 -6.267 -6.398 -6.529 -6.661 -6.794 -6.927 -7.061 -7.195 -7.329 -7.463 -7.596 -7.728 -7.858 -7.986 -8.110 -8.229 -8.343 -8.450 -1.707 -1.822 -1.998 -2.209 -2.439 -2.682 -2.936 -3.199 -3.469 -3.747 -4.032 -4.324 -4.621 -4.923 -5.228 -5.850 -5.977 -6.104 -6.233 -6.362 -6.491 -6.622 -6.753 -6.885 -7.017 -7.150 -7.282 -7.414 -7.546 -7.676 -7.804 -7.930 -8.053 -8.172 -8.286 -8.393 -1.717 -1.843 -2.019 -2.225 -2.448 -2.682 -2.925 -3.174 -3.428 -3.687 -3.951 -4.220 -4.492 -4.767 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Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 3 -1.000 1 1.000 2 1.000 54 9.466 8.127 7.006 6.057 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.466 8.127 7.006 6.057 5.243 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.467 8.128 7.007 6.057 5.243 4.537 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 9.512 8.171 7.048 6.097 5.281 4.574 3.953 3.401 2.906 2.455 2.039 1.647 1.276 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.530 8.189 7.065 6.113 5.296 4.589 3.967 3.416 2.921 2.471 2.056 1.666 1.297 0.964 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.553 8.211 7.086 6.133 5.316 4.608 3.986 3.435 2.940 2.491 2.077 1.691 1.325 0.983 0.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.571 8.229 7.102 6.149 5.331 4.622 4.001 3.449 2.955 2.506 2.094 1.709 1.346 1.004 0.696 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.597 8.253 7.126 6.171 5.353 4.643 4.021 3.470 2.975 2.528 2.117 1.736 1.377 1.037 0.698 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.622 8.277 7.149 6.193 5.374 4.664 4.041 3.490 2.996 2.549 2.140 1.761 1.407 1.072 0.730 3.011 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.647 8.301 7.172 6.215 5.395 4.684 4.061 3.510 3.016 2.569 2.162 1.786 1.437 1.108 0.773 1.440 2.115 99999.999 99999.999 99999.999 99999.999 99999.999 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5.476 4.763 4.138 3.586 3.093 2.648 2.245 1.878 1.542 1.235 0.946 0.763 0.765 0.799 0.871 0.992 1.164 1.384 1.636 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.767 8.418 7.283 6.320 5.496 4.782 4.157 3.605 3.111 2.667 2.265 1.899 1.565 1.263 0.982 0.732 0.713 0.715 0.744 0.806 0.903 1.039 1.209 1.403 1.606 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.790 8.440 7.304 6.341 5.515 4.801 4.176 3.623 3.130 2.686 2.284 1.919 1.588 1.288 1.014 0.713 0.679 0.662 0.664 0.689 0.740 0.820 0.929 1.063 1.216 1.380 1.545 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.813 8.463 7.325 6.361 5.535 4.820 4.194 3.641 3.148 2.704 2.303 1.939 1.609 1.312 1.043 0.703 0.659 0.628 0.612 0.613 0.634 0.676 0.741 0.829 0.937 1.060 1.194 1.333 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.836 8.485 7.346 6.381 5.554 4.838 4.212 3.659 3.165 2.722 2.321 1.958 1.629 1.333 1.068 0.699 0.647 0.606 0.577 0.561 0.561 0.578 0.613 0.666 0.738 0.825 0.927 1.038 1.156 1.277 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.859 8.507 7.367 6.401 5.573 4.856 4.230 3.676 3.183 2.740 2.339 1.976 1.648 1.353 1.090 0.699 0.642 0.593 0.554 0.527 0.512 0.510 0.523 0.551 0.594 0.653 0.725 0.809 0.903 1.003 1.110 99999.999 99999.999 99999.999 99999.999 99999.999 9.881 8.528 7.388 6.420 5.592 4.874 4.247 3.694 3.200 2.757 2.357 1.995 1.667 1.372 1.110 0.703 0.640 0.586 0.540 0.503 0.477 0.462 0.459 0.468 0.490 0.526 0.574 0.634 0.704 0.783 0.870 0.964 1.062 99999.999 99999.999 99999.999 9.903 8.550 7.408 6.440 5.610 4.892 4.265 3.711 3.217 2.774 2.374 2.012 1.685 1.390 1.128 0.708 0.642 0.583 0.532 0.488 0.453 0.428 0.412 0.408 0.414 0.431 0.460 0.500 0.550 0.609 0.677 0.752 0.834 0.922 99999.999 99999.999 9.925 8.571 7.428 6.459 5.629 4.910 4.282 3.728 3.234 2.791 2.392 2.029 1.702 1.407 1.144 0.716 0.647 0.584 0.528 0.479 0.438 0.404 0.379 0.363 0.357 0.360 0.374 0.397 0.429 0.471 0.522 0.580 0.645 0.718 0.797 0.882 9.947 8.592 7.448 6.478 5.647 4.928 4.299 3.745 3.251 2.808 2.408 2.047 1.719 1.423 1.159 0.724 0.653 0.588 0.528 0.475 0.428 0.388 0.356 0.331 0.315 0.307 0.308 0.317 0.336 0.363 0.398 0.441 0.491 0.548 0.612 0.682 10.155 8.794 7.640 6.661 5.821 5.095 4.461 3.904 3.408 2.966 2.567 2.206 1.878 1.581 1.311 0.847 0.765 0.687 0.612 0.541 0.473 0.408 0.347 0.288 0.233 0.181 0.133 0.088 0.046 0.007 -0.028 -0.060 -0.089 -0.114 -0.135 -0.154 10.347 8.981 7.819 6.830 5.983 5.250 4.611 4.049 3.552 3.108 2.709 2.349 2.022 1.725 1.455 0.983 0.899 0.818 0.740 0.664 0.591 0.521 0.453 0.388 0.325 0.264 0.205 0.149 0.094 0.041 -0.009 -0.058 -0.105 -0.150 -0.194 -0.236 10.528 9.158 7.987 6.990 6.134 5.395 4.751 4.185 3.684 3.239 2.839 2.479 2.153 1.857 1.586 1.114 1.029 0.947 0.868 0.791 0.717 0.645 0.576 0.508 0.443 0.380 0.318 0.259 0.201 0.144 0.090 0.036 -0.016 -0.067 -0.116 -0.164 10.700 9.326 8.147 7.142 6.279 5.533 4.883 4.313 3.809 3.361 2.960 2.600 2.274 1.978 1.708 1.236 1.151 1.069 0.990 0.913 0.839 0.766 0.697 0.629 0.563 0.499 0.437 0.376 0.318 0.260 0.204 0.150 0.096 0.044 -0.007 -0.057 10.864 9.487 8.301 7.287 6.417 5.664 5.009 4.434 3.927 3.476 3.074 2.713 2.386 2.090 1.821 1.350 1.265 1.183 1.104 1.027 0.953 0.881 0.811 0.743 0.678 0.614 0.552 0.491 0.432 0.375 0.319 0.264 0.211 0.158 0.107 0.057 11.022 9.642 8.448 7.427 6.549 5.790 5.130 4.550 4.040 3.586 3.182 2.819 2.492 2.196 1.927 1.457 1.372 1.290 1.211 1.135 1.060 0.989 0.919 0.851 0.786 0.722 0.660 0.600 0.541 0.484 0.428 0.374 0.321 0.269 0.218 0.168 11.175 9.793 8.591 7.562 6.678 5.913 5.246 4.663 4.148 3.691 3.285 2.920 2.592 2.296 2.026 1.557 1.472 1.391 1.312 1.235 1.161 1.090 1.020 0.953 0.888 0.824 0.762 0.702 0.644 0.587 0.532 0.478 0.425 0.373 0.323 0.273 99999.999 9.939 8.731 7.694 6.802 6.031 5.360 4.771 4.253 3.793 3.384 3.017 2.688 2.391 2.121 1.651 1.567 1.485 1.406 1.330 1.256 1.185 1.116 1.048 0.983 0.920 0.859 0.799 0.741 0.684 0.629 0.575 0.523 0.471 0.421 0.372 NdO+ NdO+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 3 -2.000 1 1.000 2 1.000 54 19.588 17.070 15.013 13.303 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.588 17.070 15.013 13.303 11.861 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.589 17.071 15.014 13.304 11.862 10.629 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.591 17.072 15.015 13.305 11.863 10.630 9.563 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.593 17.075 15.017 13.307 11.865 10.632 9.565 8.630 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.597 17.078 15.021 13.311 11.869 10.636 9.568 8.633 7.804 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.603 17.084 15.026 13.316 11.874 10.641 9.574 8.639 7.810 7.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.611 17.092 15.034 13.324 11.881 10.648 9.581 8.646 7.818 7.073 6.390 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.623 17.103 15.045 13.334 11.891 10.658 9.591 8.657 7.829 7.085 6.403 5.766 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.638 17.118 15.059 13.348 11.904 10.671 9.604 8.671 7.843 7.100 6.421 5.787 5.189 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.658 17.137 15.077 13.365 11.922 10.688 9.622 8.688 7.862 7.121 6.445 5.815 5.221 4.676 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.683 17.162 15.101 13.388 11.944 10.710 9.644 8.711 7.886 7.147 6.474 5.850 5.263 4.710 4.295 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.703 17.180 15.119 13.405 11.961 10.727 9.661 8.729 7.905 7.167 6.497 5.877 5.296 4.744 4.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.730 17.207 15.145 13.430 11.985 10.751 9.685 8.754 7.930 7.195 6.528 5.915 5.342 4.798 4.246 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.758 17.234 15.170 13.455 12.009 10.775 9.709 8.778 7.956 7.222 6.559 5.951 5.387 4.853 4.304 7.483 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.785 17.260 15.195 13.479 12.032 10.798 9.732 8.802 7.981 7.249 6.588 5.986 5.430 4.908 4.374 5.286 6.219 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.812 17.286 15.220 13.503 12.056 10.821 9.755 8.826 8.005 7.275 6.617 6.020 5.471 4.961 4.448 4.764 5.086 5.671 6.525 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.838 17.311 15.245 13.527 12.079 10.844 9.778 8.849 8.029 7.300 6.645 6.052 5.511 5.011 4.520 4.537 4.666 4.917 5.325 5.884 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.864 17.337 15.269 13.550 12.101 10.866 9.801 8.872 8.053 7.325 6.673 6.083 5.548 5.059 4.588 4.417 4.458 4.568 4.767 5.068 5.462 5.903 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.890 17.362 15.293 13.573 12.124 10.888 9.823 8.894 8.076 7.350 6.699 6.113 5.584 5.103 4.650 4.348 4.341 4.379 4.471 4.630 4.859 5.152 5.480 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.916 17.387 15.317 13.596 12.146 10.910 9.845 8.916 8.099 7.374 6.725 6.142 5.617 5.144 4.706 4.308 4.271 4.266 4.298 4.376 4.503 4.682 4.906 5.158 5.418 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.941 17.411 15.340 13.618 12.168 10.932 9.866 8.938 8.122 7.397 6.750 6.170 5.649 5.181 4.756 4.285 4.228 4.196 4.191 4.218 4.282 4.385 4.527 4.702 4.901 5.111 5.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.966 17.435 15.363 13.641 12.190 10.953 9.887 8.959 8.144 7.421 6.775 6.197 5.678 5.215 4.800 4.274 4.204 4.152 4.122 4.116 4.138 4.190 4.274 4.388 4.528 4.688 4.860 5.036 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.991 17.459 15.386 13.663 12.211 10.974 9.908 8.981 8.166 7.443 6.799 6.222 5.707 5.247 4.838 4.271 4.191 4.125 4.077 4.049 4.042 4.059 4.102 4.169 4.262 4.376 4.507 4.650 4.801 4.956 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.016 17.483 15.409 13.685 12.232 10.995 9.929 9.002 8.187 7.466 6.822 6.247 5.733 5.276 4.872 4.274 4.186 4.110 4.050 4.005 3.978 3.970 3.982 4.016 4.071 4.146 4.240 4.349 4.470 4.601 4.738 99999.999 99999.999 99999.999 99999.999 99999.999 20.040 17.507 15.432 13.706 12.253 11.015 9.949 9.022 8.208 7.488 6.845 6.272 5.759 5.303 4.901 4.282 4.187 4.104 4.034 3.977 3.934 3.908 3.898 3.907 3.933 3.978 4.040 4.118 4.210 4.313 4.427 4.549 4.679 99999.999 99999.999 99999.999 20.064 17.530 15.454 13.728 12.274 11.036 9.970 9.043 8.229 7.509 6.868 6.295 5.783 5.328 4.927 4.292 4.193 4.104 4.026 3.959 3.906 3.865 3.839 3.828 3.833 3.854 3.890 3.941 4.006 4.085 4.174 4.274 4.383 4.502 99999.999 99999.999 20.088 17.553 15.476 13.749 12.295 11.056 9.990 9.063 8.250 7.530 6.890 6.318 5.807 5.352 4.950 4.305 4.202 4.108 4.024 3.951 3.888 3.837 3.798 3.773 3.760 3.762 3.777 3.806 3.849 3.904 3.971 4.049 4.138 4.236 4.343 4.459 20.111 17.576 15.498 13.770 12.315 11.076 10.010 9.083 8.270 7.551 6.912 6.340 5.830 5.375 4.972 4.319 4.213 4.116 4.027 3.948 3.878 3.819 3.770 3.733 3.707 3.694 3.692 3.703 3.727 3.762 3.809 3.867 3.936 4.014 4.102 4.199 20.336 17.795 15.708 13.971 12.510 11.266 10.197 9.270 8.460 7.747 7.113 6.549 6.044 5.592 5.188 4.506 4.388 4.275 4.168 4.067 3.970 3.879 3.793 3.712 3.636 3.564 3.498 3.437 3.380 3.329 3.282 3.241 3.205 3.173 3.147 3.126 20.543 17.998 15.902 14.158 12.689 11.440 10.368 9.440 8.631 7.920 7.292 6.733 6.233 5.786 5.385 4.703 4.584 4.469 4.359 4.254 4.153 4.056 3.964 3.875 3.790 3.708 3.630 3.555 3.484 3.415 3.350 3.287 3.227 3.170 3.115 3.063 20.737 18.188 16.085 14.333 12.857 11.603 10.527 9.598 8.788 8.079 7.453 6.898 6.403 5.961 5.564 4.888 4.769 4.655 4.545 4.440 4.339 4.242 4.149 4.059 3.973 3.889 3.809 3.732 3.657 3.585 3.516 3.448 3.383 3.320 3.259 3.200 20.920 18.369 16.258 14.499 13.017 11.757 10.677 9.745 8.934 8.225 7.601 7.048 6.557 6.119 5.726 5.058 4.940 4.827 4.719 4.615 4.515 4.419 4.326 4.237 4.151 4.069 3.989 3.912 3.837 3.765 3.696 3.628 3.563 3.499 3.437 3.377 21.094 18.541 16.424 14.657 13.168 11.903 10.819 9.884 9.071 8.361 7.738 7.187 6.699 6.264 5.875 5.213 5.097 4.985 4.878 4.776 4.677 4.582 4.491 4.403 4.318 4.237 4.158 4.083 4.009 3.938 3.870 3.803 3.739 3.676 3.615 3.556 21.262 18.707 16.583 14.808 13.314 12.043 10.955 10.016 9.201 8.490 7.867 7.317 6.830 6.398 6.012 5.356 5.241 5.131 5.025 4.924 4.827 4.733 4.643 4.557 4.473 4.393 4.316 4.241 4.169 4.100 4.033 3.968 3.905 3.843 3.784 3.726 21.424 18.868 16.736 14.955 13.454 12.178 11.085 10.143 9.326 8.613 7.989 7.439 6.954 6.523 6.139 5.489 5.375 5.266 5.161 5.061 4.965 4.873 4.784 4.699 4.617 4.538 4.462 4.388 4.318 4.250 4.184 4.120 4.058 3.999 3.941 3.884 99999.999 19.024 16.886 15.097 13.590 12.308 11.211 10.265 9.445 8.731 8.105 7.555 7.070 6.640 6.258 5.613 5.500 5.392 5.288 5.189 5.094 5.002 4.915 4.830 4.749 4.672 4.597 4.525 4.455 4.388 4.323 4.261 4.201 4.142 4.085 4.030 NdO2H,aq NdO2H(AQ) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 3.000 Ref: Shock07 3 -3.000 1 2.000 2 1.000 54 30.179 26.370 23.332 20.861 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.179 26.370 23.332 20.861 18.821 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.180 26.371 23.333 20.861 18.822 17.118 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.181 26.372 23.334 20.863 18.823 17.119 15.680 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.183 26.375 23.336 20.865 18.825 17.121 15.682 14.453 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.187 26.378 23.340 20.868 18.829 17.125 15.685 14.456 13.395 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.192 26.384 23.345 20.873 18.834 17.130 15.691 14.462 13.401 12.474 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.200 26.391 23.352 20.881 18.841 17.137 15.698 14.469 13.409 12.483 11.657 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.211 26.402 23.363 20.891 18.851 17.147 15.708 14.480 13.421 12.495 11.672 10.922 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.225 26.416 23.376 20.904 18.864 17.160 15.721 14.494 13.436 12.512 11.691 10.945 10.256 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.243 26.434 23.394 20.921 18.881 17.177 15.739 14.512 13.455 12.533 11.716 10.976 10.292 9.673 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.266 26.458 23.417 20.943 18.903 17.199 15.761 14.535 13.479 12.560 11.747 11.014 10.340 9.715 9.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.284 26.475 23.434 20.960 18.919 17.215 15.778 14.552 13.498 12.580 11.770 11.043 10.376 9.755 9.171 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.309 26.501 23.459 20.984 18.943 17.239 15.802 14.577 13.524 12.609 11.803 11.083 10.428 9.818 9.200 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.334 26.526 23.483 21.008 18.966 17.262 15.825 14.601 13.550 12.637 11.835 11.122 10.477 9.881 9.271 12.658 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.358 26.550 23.507 21.031 18.989 17.285 15.848 14.625 13.575 12.664 11.866 11.159 10.524 9.943 9.355 10.373 11.354 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.382 26.574 23.531 21.054 19.011 17.307 15.870 14.648 13.599 12.690 11.896 11.195 10.569 10.002 9.441 9.828 10.175 10.794 11.677 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.406 26.598 23.554 21.076 19.033 17.329 15.893 14.671 13.623 12.716 11.925 11.229 10.612 10.059 9.524 9.593 9.739 10.012 10.447 11.032 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.429 26.621 23.576 21.099 19.055 17.350 15.914 14.693 13.646 12.741 11.953 11.261 10.652 10.111 9.601 9.469 9.524 9.651 9.870 10.195 10.613 11.069 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.452 26.644 23.599 21.120 19.076 17.371 15.936 14.715 13.669 12.766 11.980 11.293 10.690 10.159 9.671 9.399 9.403 9.455 9.565 9.744 9.997 10.311 10.657 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.474 26.667 23.621 21.142 19.097 17.392 15.957 14.737 13.692 12.790 12.006 11.322 10.725 10.203 9.734 9.358 9.331 9.339 9.387 9.483 9.631 9.832 10.077 10.349 10.625 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.496 26.689 23.643 21.163 19.118 17.413 15.977 14.758 13.714 12.813 12.031 11.351 10.759 10.244 9.790 9.336 9.289 9.268 9.277 9.321 9.404 9.528 9.691 9.889 10.109 10.338 10.562 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.518 26.711 23.664 21.184 19.138 17.433 15.997 14.779 13.735 12.836 12.056 11.378 10.790 10.281 9.838 9.326 9.264 9.223 9.207 9.217 9.257 9.329 9.433 9.570 9.733 9.916 10.109 10.306 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.539 26.733 23.685 21.204 19.158 17.453 16.017 14.799 13.756 12.858 12.080 11.405 10.819 10.314 9.880 9.324 9.251 9.197 9.162 9.149 9.159 9.195 9.258 9.348 9.463 9.601 9.756 9.923 10.097 10.275 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.560 26.754 23.706 21.225 19.178 17.472 16.037 14.819 13.777 12.880 12.103 11.430 10.847 10.345 9.916 9.328 9.247 9.183 9.135 9.104 9.094 9.104 9.136 9.192 9.269 9.369 9.487 9.621 9.768 9.925 10.088 99999.999 99999.999 99999.999 99999.999 99999.999 30.581 26.775 23.727 21.245 19.198 17.491 16.056 14.839 13.798 12.901 12.126 11.454 10.873 10.373 9.947 9.336 9.250 9.177 9.119 9.076 9.050 9.042 9.052 9.081 9.130 9.198 9.285 9.389 9.507 9.638 9.780 9.931 10.090 99999.999 99999.999 99999.999 30.602 26.796 23.747 21.264 19.217 17.510 16.075 14.858 13.818 12.922 12.148 11.478 10.897 10.398 9.975 9.347 9.256 9.177 9.112 9.060 9.022 8.999 8.992 9.002 9.029 9.073 9.133 9.210 9.302 9.408 9.527 9.656 9.796 9.946 99999.999 99999.999 30.622 26.816 23.767 21.284 19.236 17.529 16.094 14.877 13.837 12.943 12.170 11.500 10.921 10.423 9.999 9.361 9.266 9.183 9.111 9.052 9.005 8.971 8.951 8.946 8.955 8.980 9.020 9.074 9.144 9.227 9.323 9.431 9.550 9.681 9.821 9.973 30.642 26.837 23.787 21.303 19.255 17.548 16.113 14.896 13.857 12.963 12.191 11.523 10.944 10.446 10.022 9.376 9.278 9.191 9.115 9.050 8.996 8.954 8.924 8.907 8.902 8.912 8.935 8.971 9.021 9.084 9.160 9.248 9.348 9.458 9.580 9.712 30.827 27.026 23.973 21.483 19.430 17.720 16.284 15.069 14.035 13.148 12.385 11.725 11.155 10.662 10.238 9.568 9.459 9.357 9.263 9.176 9.095 9.022 8.954 8.893 8.838 8.790 8.747 8.710 8.679 8.654 8.635 8.622 8.615 8.614 8.619 8.630 30.990 27.197 24.139 21.645 19.588 17.874 16.437 15.222 14.190 13.308 12.551 11.899 11.336 10.850 10.432 9.765 9.655 9.552 9.455 9.365 9.281 9.203 9.130 9.062 8.999 8.940 8.886 8.837 8.791 8.750 8.712 8.678 8.647 8.620 8.596 8.575 31.138 27.351 24.292 21.793 19.731 18.014 16.574 15.359 14.328 13.449 12.697 12.050 11.494 11.014 10.602 9.944 9.836 9.734 9.639 9.549 9.466 9.388 9.315 9.246 9.183 9.123 9.068 9.017 8.969 8.925 8.883 8.845 8.810 8.777 8.747 8.720 31.272 27.494 24.432 21.930 19.863 18.143 16.701 15.485 14.454 13.576 12.827 12.185 11.633 11.159 10.752 10.106 9.999 9.899 9.806 9.718 9.636 9.560 9.488 9.421 9.359 9.301 9.247 9.196 9.149 9.106 9.065 9.027 8.992 8.960 8.930 8.902 31.395 27.626 24.564 22.057 19.987 18.263 16.818 15.600 14.569 13.692 12.945 12.306 11.758 11.289 10.887 10.250 10.146 10.048 9.956 9.870 9.790 9.716 9.646 9.581 9.520 9.464 9.412 9.363 9.318 9.276 9.237 9.201 9.168 9.137 9.108 9.082 31.511 27.752 24.687 22.177 20.103 18.376 16.928 15.708 14.676 13.800 13.053 12.416 11.872 11.407 11.009 10.381 10.278 10.182 10.092 10.008 9.930 9.857 9.789 9.726 9.667 9.613 9.562 9.515 9.472 9.432 9.395 9.361 9.330 9.301 9.274 9.250 31.620 27.871 24.805 22.291 20.213 18.483 17.032 15.810 14.777 13.900 13.154 12.519 11.977 11.514 11.120 10.499 10.398 10.304 10.216 10.133 10.057 9.985 9.919 9.858 9.801 9.748 9.699 9.654 9.612 9.574 9.539 9.507 9.477 9.450 9.426 9.403 99999.999 27.985 24.917 22.400 20.319 18.585 17.131 15.907 14.872 13.994 13.249 12.614 12.073 11.613 11.222 10.608 10.508 10.415 10.328 10.247 10.172 10.102 10.038 9.978 9.922 9.871 9.823 9.780 9.740 9.703 9.670 9.639 9.611 9.586 9.563 9.542 NdO2- NdO2- P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 4.000 Ref: Shock07 3 -4.000 1 2.000 2 1.000 54 41.640 37.072 33.362 30.296 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.640 37.072 33.362 30.296 27.729 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.641 37.073 33.363 30.297 27.730 25.556 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.642 37.074 33.364 30.298 27.731 25.558 23.700 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.644 37.076 33.366 30.300 27.733 25.559 23.702 22.102 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.647 37.079 33.369 30.303 27.735 25.562 23.705 22.105 20.717 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.652 37.084 33.374 30.307 27.740 25.566 23.709 22.109 20.721 19.510 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.659 37.091 33.381 30.314 27.746 25.572 23.715 22.115 20.727 19.516 18.452 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.669 37.101 33.390 30.323 27.755 25.581 23.723 22.123 20.735 19.524 18.460 17.523 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.681 37.114 33.402 30.335 27.766 25.592 23.734 22.134 20.746 19.535 18.471 17.534 16.723 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.698 37.131 33.418 30.350 27.781 25.606 23.748 22.147 20.760 19.548 18.485 17.549 16.733 16.091 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.719 37.152 33.439 30.370 27.800 25.624 23.766 22.165 20.777 19.566 18.504 17.568 16.750 16.071 15.767 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.735 37.168 33.455 30.385 27.814 25.638 23.779 22.179 20.791 19.580 18.518 17.583 16.764 16.070 15.586 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.758 37.191 33.477 30.406 27.835 25.658 23.799 22.198 20.810 19.599 18.538 17.605 16.787 16.083 15.499 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.781 37.214 33.499 30.427 27.855 25.678 23.818 22.216 20.828 19.618 18.557 17.626 16.810 16.103 15.485 20.256 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.803 37.236 33.520 30.448 27.875 25.697 23.836 22.235 20.846 19.636 18.577 17.647 16.833 16.127 15.499 16.902 18.378 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.825 37.258 33.542 30.468 27.894 25.715 23.855 22.253 20.864 19.654 18.595 17.667 16.856 16.153 15.527 16.059 16.606 17.569 19.002 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.846 37.280 33.563 30.488 27.913 25.734 23.873 22.271 20.882 19.672 18.614 17.687 16.879 16.178 15.559 15.658 15.910 16.355 17.055 18.024 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.867 37.301 33.583 30.508 27.932 25.752 23.890 22.288 20.899 19.689 18.632 17.706 16.900 16.203 15.592 15.421 15.536 15.763 16.132 16.672 17.382 18.207 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.888 37.322 33.603 30.527 27.951 25.770 23.908 22.305 20.916 19.706 18.649 17.725 16.920 16.226 15.624 15.264 15.303 15.414 15.616 15.928 16.360 16.908 17.541 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.908 37.343 33.623 30.546 27.969 25.788 23.925 22.322 20.933 19.723 18.666 17.743 16.939 16.247 15.652 15.153 15.143 15.186 15.292 15.472 15.738 16.093 16.532 17.034 17.570 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.929 37.363 33.643 30.565 27.987 25.805 23.942 22.338 20.949 19.740 18.683 17.760 16.957 16.267 15.677 15.072 15.029 15.026 15.070 15.170 15.331 15.560 15.857 16.218 16.628 17.069 17.522 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.948 37.383 33.663 30.584 28.005 25.822 23.958 22.355 20.965 19.756 18.699 17.776 16.974 16.284 15.697 15.012 14.944 14.909 14.912 14.956 15.049 15.193 15.392 15.645 15.947 16.289 16.660 17.046 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.968 37.403 33.682 30.602 28.022 25.839 23.975 22.371 20.981 19.771 18.715 17.792 16.990 16.299 15.714 14.965 14.879 14.821 14.793 14.800 14.844 14.929 15.059 15.233 15.450 15.708 15.999 16.315 16.648 16.989 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.987 37.423 33.701 30.620 28.040 25.856 23.991 22.387 20.997 19.787 18.730 17.807 17.004 16.313 15.727 14.929 14.829 14.753 14.703 14.681 14.690 14.733 14.812 14.928 15.081 15.271 15.493 15.744 16.017 16.308 16.609 99999.999 99999.999 99999.999 99999.999 99999.999 42.006 37.442 33.719 30.638 28.057 25.872 24.007 22.402 21.012 19.802 18.745 17.822 17.018 16.325 15.738 14.901 14.790 14.700 14.632 14.589 14.572 14.583 14.625 14.697 14.801 14.937 15.104 15.298 15.517 15.756 16.011 16.280 16.557 99999.999 99999.999 99999.999 42.025 37.461 33.738 30.656 28.073 25.888 24.022 22.417 21.027 19.817 18.760 17.836 17.031 16.336 15.746 14.880 14.759 14.658 14.576 14.517 14.479 14.466 14.479 14.518 14.584 14.678 14.800 14.947 15.119 15.311 15.523 15.749 15.989 16.239 99999.999 99999.999 42.043 37.480 33.756 30.673 28.090 25.904 24.038 22.433 21.042 19.832 18.775 17.850 17.044 16.347 15.752 14.863 14.735 14.625 14.532 14.459 14.406 14.373 14.363 14.376 14.413 14.474 14.559 14.668 14.800 14.952 15.123 15.312 15.514 15.730 15.956 16.192 42.061 37.498 33.774 30.690 28.106 25.920 24.053 22.447 21.057 19.847 18.789 17.864 17.057 16.357 15.758 14.851 14.716 14.598 14.497 14.412 14.346 14.299 14.271 14.263 14.276 14.311 14.367 14.444 14.542 14.660 14.797 14.950 15.119 15.301 15.495 15.700 42.231 37.672 33.942 30.851 28.260 26.067 24.195 22.586 21.193 19.981 18.922 17.994 17.179 16.466 15.843 14.840 14.674 14.520 14.376 14.243 14.120 14.007 13.904 13.811 13.727 13.653 13.589 13.533 13.487 13.451 13.423 13.404 13.394 13.392 13.399 13.413 42.382 37.829 34.094 30.997 28.399 26.200 24.323 22.709 21.314 20.101 19.040 18.110 17.293 16.574 15.943 14.905 14.730 14.564 14.407 14.260 14.121 13.990 13.867 13.752 13.644 13.543 13.449 13.361 13.280 13.206 13.137 13.074 13.016 12.964 12.917 12.875 42.519 37.972 34.234 31.130 28.525 26.320 24.439 22.821 21.423 20.208 19.146 18.215 17.397 16.676 16.040 14.988 14.809 14.638 14.476 14.322 14.177 14.039 13.908 13.784 13.667 13.556 13.452 13.353 13.259 13.171 13.088 13.010 12.936 12.867 12.802 12.740 42.645 38.104 34.363 31.253 28.643 26.432 24.546 22.924 21.523 20.305 19.242 18.310 17.491 16.769 16.132 15.073 14.892 14.719 14.554 14.398 14.249 14.108 13.974 13.846 13.725 13.610 13.500 13.396 13.298 13.204 13.115 13.030 12.950 12.874 12.801 12.732 42.762 38.228 34.484 31.369 28.753 26.537 24.646 23.020 21.616 20.395 19.331 18.398 17.578 16.856 16.218 15.156 14.973 14.799 14.633 14.475 14.325 14.182 14.046 13.917 13.793 13.676 13.564 13.458 13.357 13.260 13.169 13.081 12.998 12.919 12.843 12.771 42.871 38.345 34.598 31.479 28.857 26.636 24.740 23.111 21.703 20.480 19.413 18.479 17.659 16.936 16.297 15.233 15.050 14.875 14.709 14.551 14.400 14.256 14.119 13.989 13.864 13.746 13.633 13.526 13.423 13.325 13.232 13.144 13.059 12.978 12.901 12.828 42.974 38.457 34.707 31.583 28.957 26.731 24.830 23.197 21.785 20.560 19.491 18.555 17.734 17.010 16.371 15.307 15.123 14.948 14.781 14.623 14.471 14.327 14.190 14.059 13.934 13.815 13.702 13.593 13.490 13.392 13.298 13.209 13.124 13.042 12.965 12.891 99999.999 38.564 34.812 31.683 29.052 26.821 24.916 23.279 21.864 20.636 19.564 18.627 17.804 17.080 16.441 15.375 15.192 15.017 14.850 14.691 14.539 14.395 14.257 14.126 14.001 13.882 13.768 13.659 13.556 13.458 13.363 13.274 13.188 13.107 13.029 12.954 NdNO3+2 NdNO3+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 6 -1.000 1 -1.000 2 -1.000 6 1.000 54 1.000 32 1.000 4 92.687 84.668 77.750 71.739 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.687 84.668 77.750 71.739 66.465 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.688 84.669 77.751 71.740 66.466 61.794 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.690 84.670 77.753 71.741 66.467 61.796 57.620 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.694 84.673 77.755 71.744 66.470 61.798 57.622 53.857 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.699 84.678 77.760 71.748 66.474 61.802 57.626 53.862 50.438 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.707 84.685 77.766 71.754 66.480 61.808 57.632 53.868 50.445 47.305 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.719 84.695 77.775 71.763 66.488 61.816 57.641 53.877 50.455 47.316 44.405 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.735 84.708 77.788 71.774 66.499 61.828 57.653 53.890 50.469 47.332 44.424 41.693 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.756 84.727 77.804 71.790 66.515 61.843 57.669 53.907 50.488 47.353 44.450 41.726 39.126 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.784 84.750 77.826 71.811 66.535 61.863 57.690 53.929 50.511 47.380 44.482 41.767 39.184 36.661 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.819 84.780 77.853 71.837 66.560 61.889 57.716 53.956 50.542 47.414 44.522 41.819 39.254 36.766 34.210 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.846 84.803 77.874 71.857 66.580 61.908 57.736 53.977 50.564 47.440 44.553 41.857 39.306 36.842 34.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.885 84.836 77.904 71.885 66.607 61.936 57.764 54.007 50.597 47.476 44.595 41.910 39.377 36.943 34.498 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.922 84.869 77.934 71.913 66.635 61.963 57.792 54.036 50.628 47.511 44.636 41.960 39.443 37.037 34.646 30.770 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.960 84.901 77.963 71.941 66.661 61.990 57.819 54.065 50.659 47.545 44.675 42.008 39.506 37.124 34.780 30.968 30.128 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.996 84.932 77.992 71.968 66.688 62.016 57.846 54.093 50.689 47.578 44.713 42.054 39.564 37.204 34.903 31.072 30.284 29.468 28.537 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.032 84.963 78.020 71.994 66.714 62.042 57.873 54.121 50.719 47.610 44.750 42.099 39.620 37.278 35.014 31.167 30.394 29.620 28.825 27.969 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.068 84.993 78.048 72.021 66.739 62.068 57.899 54.148 50.747 47.642 44.786 42.141 39.672 37.347 35.114 31.254 30.491 29.733 28.975 28.201 27.391 26.516 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.103 85.024 78.075 72.047 66.765 62.093 57.924 54.174 50.776 47.673 44.821 42.181 39.722 37.411 35.206 31.335 30.580 29.833 29.091 28.348 27.596 26.820 26.007 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.138 85.053 78.102 72.072 66.790 62.117 57.949 54.201 50.803 47.703 44.854 42.220 39.769 37.471 35.288 31.410 30.661 29.923 29.192 28.466 27.739 27.007 26.261 25.493 24.699 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.172 85.083 78.129 72.098 66.814 62.142 57.974 54.226 50.831 47.733 44.887 42.258 39.814 37.526 35.363 31.481 30.738 30.005 29.283 28.568 27.857 27.148 26.436 25.717 24.985 24.240 23.482 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.206 85.112 78.156 72.123 66.838 62.166 57.999 54.252 50.857 47.761 44.919 42.294 39.856 37.577 35.430 31.547 30.809 30.083 29.367 28.660 27.960 27.266 26.574 25.881 25.186 24.486 23.780 23.069 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.239 85.140 78.182 72.147 66.862 62.190 58.023 54.276 50.884 47.790 44.950 42.329 39.896 37.625 35.491 31.611 30.876 30.155 29.445 28.744 28.053 27.369 26.690 26.015 25.342 24.670 23.997 23.324 22.652 21.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.272 85.168 78.207 72.172 66.886 62.213 58.046 54.301 50.909 47.817 44.980 42.363 39.934 37.670 35.546 31.671 30.940 30.223 29.518 28.823 28.138 27.462 26.793 26.130 25.473 24.818 24.168 23.520 22.875 22.235 21.602 99999.999 99999.999 99999.999 99999.999 99999.999 93.304 85.196 78.233 72.196 66.909 62.236 58.070 54.325 50.935 47.844 45.010 42.395 39.971 37.712 35.595 31.728 31.001 30.288 29.587 28.897 28.218 27.548 26.887 26.233 25.586 24.945 24.309 23.679 23.053 22.434 21.822 21.218 20.626 99999.999 99999.999 99999.999 93.336 85.224 78.258 72.220 66.932 62.259 58.093 54.349 50.960 47.871 45.039 42.427 40.006 37.751 35.641 31.783 31.059 30.349 29.652 28.967 28.293 27.628 26.973 26.327 25.688 25.057 24.432 23.814 23.203 22.598 22.002 21.414 20.836 20.271 99999.999 99999.999 93.367 85.251 78.283 72.243 66.955 62.281 58.115 54.372 50.984 47.897 45.067 42.458 40.040 37.789 35.684 31.836 31.115 30.408 29.715 29.033 28.363 27.703 27.054 26.413 25.781 25.158 24.542 23.933 23.332 22.739 22.154 21.578 21.012 20.458 19.915 19.387 93.399 85.278 78.307 72.266 66.977 62.304 58.138 54.395 51.008 47.923 45.095 42.488 40.073 37.826 35.724 31.887 31.168 30.465 29.774 29.096 28.430 27.774 27.129 26.494 25.868 25.250 24.641 24.040 23.447 22.863 22.287 21.720 21.163 20.617 20.083 19.561 93.690 85.530 78.538 72.484 67.188 62.511 58.346 54.609 51.231 48.158 45.346 42.758 40.367 38.146 36.076 32.315 31.616 30.932 30.263 29.608 28.966 28.338 27.721 27.116 26.522 25.939 25.365 24.802 24.249 23.704 23.169 22.643 22.126 21.617 21.118 20.627 93.951 85.756 78.746 72.680 67.377 62.697 58.533 54.798 51.425 48.361 45.560 42.987 40.612 38.410 36.360 32.650 31.962 31.290 30.633 29.991 29.364 28.749 28.148 27.558 26.981 26.414 25.859 25.313 24.778 24.252 23.736 23.228 22.729 22.239 21.757 21.282 94.187 85.962 78.935 72.859 67.550 62.867 58.701 54.968 51.599 48.541 45.749 43.186 40.823 38.635 36.601 32.926 32.246 31.582 30.934 30.302 29.683 29.078 28.487 27.908 27.341 26.785 26.241 25.707 25.183 24.670 24.165 23.670 23.184 22.706 22.236 21.774 94.404 86.152 79.109 73.023 67.708 63.022 58.855 55.122 51.757 48.703 45.917 43.363 41.009 38.832 36.810 33.162 32.488 31.831 31.189 30.563 29.951 29.354 28.769 28.198 27.638 27.091 26.554 26.029 25.513 25.008 24.513 24.026 23.549 23.080 22.619 22.166 94.604 86.327 79.270 73.176 67.855 63.165 58.997 55.265 51.901 48.851 46.070 43.521 41.176 39.007 36.994 33.368 32.699 32.047 31.410 30.789 30.183 29.590 29.011 28.446 27.892 27.350 26.820 26.301 25.792 25.293 24.804 24.324 23.854 23.392 22.938 22.492 94.791 86.490 79.420 73.317 67.991 63.298 59.129 55.396 52.034 48.986 46.209 43.666 41.326 39.164 37.160 33.551 32.886 32.237 31.605 30.988 30.386 29.798 29.223 28.662 28.113 27.576 27.050 26.536 26.032 25.538 25.055 24.580 24.115 23.658 23.210 22.769 94.966 86.644 79.561 73.450 68.119 63.423 59.252 55.519 52.157 49.112 46.337 43.798 41.463 39.307 37.309 33.715 33.053 32.408 31.779 31.165 30.567 29.982 29.411 28.853 28.308 27.775 27.253 26.743 26.243 25.753 25.274 24.803 24.342 23.890 23.446 23.010 99999.999 86.789 79.693 73.575 68.239 63.540 59.367 55.634 52.273 49.229 46.457 43.920 41.589 39.438 37.445 33.864 33.205 32.562 31.936 31.325 30.729 30.148 29.580 29.025 28.483 27.953 27.434 26.927 26.430 25.944 25.468 25.001 24.543 24.094 23.653 23.221 NdH2PO4+2 NdH2PO4+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 3 1.000 1 1.000 27 1.000 54 -9.892 -9.515 -9.381 -9.393 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.892 -9.515 -9.381 -9.393 -9.506 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.891 -9.514 -9.381 -9.392 -9.505 -9.698 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.889 -9.513 -9.379 -9.391 -9.504 -9.697 -9.956 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.887 -9.511 -9.377 -9.389 -9.502 -9.694 -9.953 -10.273 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.883 -9.507 -9.374 -9.385 -9.498 -9.690 -9.949 -10.268 -10.646 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 5 -1.125 1 -0.125 4 1.000 55 0.125 6 0.500 2 57.587 52.077 47.389 43.355 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.587 52.077 47.389 43.355 39.846 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.587 52.077 47.389 43.355 39.846 36.762 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.612 52.103 47.414 43.380 39.870 36.786 34.052 31.607 29.406 27.409 25.585 23.907 22.361 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.622 52.113 47.425 43.390 39.880 36.796 34.062 31.618 29.417 27.421 25.598 23.922 22.376 20.972 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.635 52.126 47.438 43.403 39.893 36.809 34.075 31.631 29.430 27.435 25.614 23.941 22.397 20.979 19.791 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 57.686 52.180 47.491 43.455 39.944 36.860 34.126 31.683 29.485 27.494 25.679 24.016 22.485 21.071 19.740 18.802 19.307 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.700 52.194 47.505 43.469 39.957 36.873 34.139 31.697 29.499 27.509 25.695 24.035 22.508 21.099 19.776 18.343 18.316 18.532 19.018 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.713 52.208 47.518 43.482 39.971 36.886 34.153 31.711 29.513 27.523 25.711 24.053 22.530 21.126 19.814 18.135 17.942 17.864 17.935 18.162 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.727 52.222 47.532 43.495 39.984 36.899 34.166 31.724 29.527 27.538 25.727 24.071 22.551 21.152 19.850 18.017 17.749 17.549 17.434 17.421 17.507 17.660 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.740 52.235 47.545 43.509 39.997 36.912 34.179 31.737 29.540 27.552 25.742 24.087 22.570 21.176 19.883 17.944 17.634 17.370 17.163 17.022 16.953 16.954 17.006 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.753 52.249 47.559 43.522 40.010 36.925 34.191 31.750 29.554 27.566 25.757 24.104 22.589 21.198 19.913 17.896 17.560 17.258 16.998 16.785 16.624 16.518 16.464 16.449 16.457 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.765 52.262 47.572 43.535 40.022 36.937 34.204 31.763 29.567 27.580 25.771 24.120 22.607 21.219 19.940 17.864 17.510 17.184 16.890 16.633 16.415 16.239 16.107 16.015 15.954 15.916 15.889 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.778 52.275 47.585 43.547 40.035 36.950 34.216 31.775 29.580 27.593 25.786 24.135 22.623 21.237 19.963 17.842 17.475 17.133 16.817 16.530 16.274 16.053 15.866 15.715 15.596 15.504 15.433 15.375 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.790 52.288 47.598 43.560 40.047 36.962 34.229 31.788 29.593 27.606 25.799 24.149 22.639 21.254 19.984 17.828 17.452 17.097 16.765 16.457 16.176 15.923 15.699 15.504 15.339 15.201 15.086 14.990 14.909 14.839 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.803 52.301 47.611 43.573 40.060 36.974 34.241 31.800 29.605 27.619 25.813 24.164 22.654 21.270 20.001 17.819 17.436 17.072 16.728 16.405 16.106 15.829 15.578 15.353 15.152 14.977 14.825 14.694 14.580 14.481 14.394 99999.999 99999.999 99999.999 99999.999 99999.999 57.815 52.314 47.624 43.585 40.072 36.986 34.253 31.812 29.618 27.632 25.826 24.177 22.668 21.284 20.015 17.814 17.425 17.054 16.701 16.368 16.054 15.761 15.490 15.241 15.014 14.810 14.628 14.465 14.322 14.195 14.082 13.982 13.893 99999.999 99999.999 99999.999 57.827 52.327 47.636 43.597 40.084 36.998 34.265 31.824 29.630 27.645 25.839 24.191 22.681 21.297 20.028 17.812 17.419 17.042 16.682 16.340 16.016 15.710 15.424 15.157 14.910 14.684 14.477 14.289 14.120 13.967 13.830 13.706 13.596 13.497 99999.999 99999.999 57.839 52.339 47.649 43.610 40.096 37.010 34.276 31.836 29.642 27.657 25.852 24.204 22.694 21.310 20.040 17.813 17.416 17.035 16.669 16.320 15.988 15.673 15.374 15.094 14.831 14.587 14.361 14.152 13.961 13.786 13.627 13.481 13.350 13.230 13.123 13.026 57.851 52.352 47.661 43.622 40.108 37.022 34.288 31.848 29.654 27.669 25.865 24.217 22.707 21.322 20.050 17.816 17.415 17.031 16.661 16.306 15.967 15.644 15.337 15.045 14.771 14.512 14.270 14.045 13.836 13.642 13.463 13.299 13.148 13.009 12.883 12.768 57.963 52.471 47.779 43.737 40.221 37.133 34.398 31.958 29.766 27.784 25.983 24.337 22.829 21.442 20.164 17.891 17.478 17.077 16.687 16.310 15.944 15.589 15.245 14.911 14.588 14.275 13.971 13.677 13.392 13.117 12.851 12.594 12.345 12.106 11.874 11.651 58.065 52.582 47.890 43.845 40.326 37.236 34.500 32.060 29.868 27.888 26.089 24.446 22.939 21.554 20.275 17.994 17.577 17.172 16.778 16.395 16.023 15.661 15.309 14.966 14.632 14.307 13.990 13.682 13.381 13.088 12.803 12.524 12.252 11.987 11.729 11.477 58.160 52.685 47.993 43.947 40.425 37.333 34.595 32.154 29.962 27.983 26.185 24.544 23.040 21.656 20.378 18.097 17.679 17.273 16.878 16.494 16.120 15.756 15.401 15.056 14.719 14.390 14.070 13.757 13.452 13.154 12.863 12.578 12.300 12.027 11.761 11.501 58.250 52.784 48.092 44.043 40.519 37.424 34.685 32.242 30.050 28.071 26.274 24.635 23.132 21.750 20.474 18.194 17.777 17.371 16.976 16.591 16.217 15.853 15.497 15.151 14.814 14.484 14.163 13.849 13.542 13.243 12.950 12.663 12.383 12.109 11.840 11.577 58.335 52.878 48.186 44.136 40.609 37.512 34.770 32.326 30.133 28.154 26.357 24.719 23.218 21.837 20.562 18.285 17.868 17.463 17.068 16.684 16.310 15.946 15.591 15.244 14.907 14.577 14.256 13.942 13.635 13.335 13.042 12.756 12.475 12.201 11.932 11.668 58.416 52.968 48.277 44.225 40.695 37.596 34.852 32.407 30.212 28.232 26.436 24.798 23.298 21.918 20.645 18.371 17.954 17.549 17.155 16.771 16.397 16.034 15.679 15.333 14.996 14.667 14.346 14.032 13.725 13.426 13.133 12.847 12.567 12.292 12.024 11.760 58.494 53.056 48.365 44.311 40.779 37.677 34.932 32.484 30.288 28.307 26.510 24.873 23.373 21.994 20.722 18.450 18.034 17.630 17.236 16.853 16.480 16.116 15.762 15.417 15.080 14.751 14.430 14.117 13.811 13.512 13.220 12.934 12.654 12.380 12.112 11.849 99999.999 53.141 48.450 44.394 40.860 37.756 35.008 32.559 30.362 28.380 26.582 24.944 23.445 22.067 20.795 18.525 18.110 17.706 17.312 16.929 16.557 16.194 15.840 15.495 15.159 14.831 14.510 14.197 13.892 13.593 13.301 13.016 12.737 12.463 12.196 11.933 Pm+4 Pm+4 P-T:All Charge = 4. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 5 1.125 1 0.125 4 1.000 55 -0.125 6 -0.500 2 93.597 86.535 80.477 75.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.597 86.535 80.477 75.230 70.643 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.597 86.535 80.477 75.230 70.643 66.599 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.597 86.535 80.477 75.230 70.643 66.599 63.006 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.597 86.535 80.477 75.230 70.643 66.598 63.006 59.795 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.597 86.535 80.476 75.230 70.642 66.598 63.005 59.794 56.907 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.597 86.534 80.476 75.229 70.642 66.597 63.005 59.793 56.905 54.296 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.597 86.534 80.476 75.229 70.641 66.596 63.003 59.791 56.903 54.294 51.928 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.597 86.534 80.475 75.228 70.640 66.595 63.002 59.789 56.900 54.291 51.924 49.770 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.597 86.533 80.474 75.227 70.638 66.593 62.999 59.786 56.897 54.286 51.918 49.763 47.785 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.597 86.532 80.473 75.225 70.637 66.591 62.996 59.783 56.892 54.280 51.911 49.753 47.777 45.918 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.596 86.531 80.471 75.223 70.634 66.588 62.993 59.778 56.887 54.273 51.902 49.741 47.763 45.925 44.046 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.596 86.531 80.470 75.222 70.633 66.585 62.990 59.774 56.882 54.268 51.895 49.732 47.752 45.920 44.163 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.596 86.530 80.469 75.220 70.630 66.582 62.986 59.770 56.876 54.260 51.885 49.719 47.735 45.905 44.210 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.596 86.529 80.468 75.218 70.628 66.579 62.982 59.765 56.870 54.253 51.875 49.706 47.718 45.886 44.207 36.811 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.596 86.528 80.466 75.216 70.625 66.576 62.978 59.760 56.865 54.246 51.866 49.694 47.701 45.865 44.186 39.350 37.558 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.596 86.527 80.465 75.215 70.623 66.574 62.975 59.756 56.859 54.239 51.858 49.682 47.685 45.843 44.157 39.961 38.874 37.493 35.757 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.597 86.527 80.464 75.213 70.621 66.571 62.971 59.752 56.854 54.233 51.849 49.671 47.670 45.823 44.126 40.244 39.375 38.385 37.221 35.866 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.597 86.526 80.463 75.211 70.619 66.568 62.968 59.747 56.849 54.226 51.841 49.661 47.656 45.803 44.095 40.409 39.639 38.809 37.895 36.870 35.732 34.514 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.597 86.526 80.462 75.210 70.617 66.566 62.965 59.743 56.844 54.220 51.834 49.651 47.643 45.786 44.067 40.516 39.801 39.054 38.262 37.409 36.483 35.485 34.434 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.597 86.525 80.461 75.208 70.615 66.563 62.962 59.739 56.839 54.214 51.826 49.642 47.631 45.770 44.043 40.590 39.909 39.212 38.490 37.732 36.931 36.079 35.180 34.245 33.294 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.598 86.525 80.460 75.207 70.613 66.561 62.959 59.736 56.834 54.209 51.819 49.633 47.621 45.756 44.022 40.644 39.986 39.321 38.642 37.943 37.218 36.461 35.668 34.844 33.994 33.131 32.268 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.598 86.524 80.459 75.206 70.611 66.559 62.956 59.732 56.830 54.203 51.813 49.625 47.611 45.744 44.005 40.683 40.042 39.399 38.750 38.090 37.414 36.719 36.000 35.256 34.490 33.706 32.912 32.115 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.599 86.524 80.458 75.204 70.610 66.556 62.953 59.728 56.826 54.198 51.806 49.617 47.602 45.734 43.991 40.713 40.084 39.457 38.829 38.196 37.554 36.901 36.233 35.548 34.845 34.127 33.396 32.657 31.914 31.173 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.599 86.523 80.457 75.203 70.608 66.554 62.950 59.725 56.821 54.193 51.800 49.610 47.594 45.725 43.981 40.736 40.116 39.501 38.888 38.275 37.658 37.035 36.403 35.760 35.105 34.438 33.759 33.072 32.378 31.681 30.983 99999.999 99999.999 99999.999 99999.999 99999.999 93.600 86.523 80.456 75.202 70.606 66.552 62.948 59.722 56.817 54.188 51.794 49.604 47.587 45.718 43.973 40.753 40.141 39.535 38.934 38.335 37.736 37.136 36.530 35.919 35.300 34.672 34.035 33.391 32.740 32.084 31.426 30.766 30.107 99999.999 99999.999 99999.999 93.601 86.523 80.455 75.201 70.605 66.550 62.945 59.718 56.813 54.183 51.789 49.597 47.580 45.711 43.968 40.766 40.160 39.562 38.970 38.382 37.797 37.213 36.628 36.040 35.448 34.851 34.247 33.638 33.023 32.404 31.781 31.156 30.530 29.903 99999.999 99999.999 93.601 86.523 80.455 75.199 70.603 66.548 62.942 59.715 56.809 54.178 51.783 49.591 47.574 45.706 43.964 40.776 40.174 39.582 38.997 38.419 37.845 37.274 36.704 36.134 35.563 34.990 34.413 33.832 33.247 32.659 32.067 31.473 30.877 30.281 29.683 29.086 93.602 86.523 80.454 75.198 70.602 66.546 62.940 59.712 56.805 54.173 51.778 49.585 47.568 45.700 43.960 40.783 40.186 39.598 39.019 38.448 37.882 37.322 36.764 36.209 35.654 35.099 34.543 33.986 33.425 32.863 32.298 31.731 31.163 30.593 30.023 29.452 93.612 86.523 80.449 75.190 70.589 66.530 62.919 59.685 56.772 54.133 51.731 49.532 47.512 45.645 43.912 40.783 40.203 39.637 39.084 38.542 38.012 37.493 36.985 36.485 35.995 35.514 35.040 34.573 34.114 33.661 33.214 32.773 32.337 31.906 31.479 31.057 93.626 86.527 80.447 75.184 70.580 66.517 62.902 59.665 56.746 54.101 51.693 49.489 47.463 45.593 43.860 40.739 40.164 39.602 39.055 38.520 37.998 37.489 36.991 36.504 36.027 35.561 35.105 34.658 34.220 33.790 33.369 32.956 32.551 32.153 31.763 31.379 93.642 86.533 80.448 75.181 70.574 66.508 62.890 59.648 56.726 54.076 51.662 49.453 47.422 45.548 43.811 40.689 40.114 39.553 39.007 38.474 37.955 37.447 36.952 36.468 35.996 35.534 35.083 34.641 34.209 33.787 33.373 32.968 32.572 32.183 31.803 31.431 93.661 86.540 80.451 75.180 70.570 66.501 62.880 59.635 56.709 54.055 51.637 49.423 47.387 45.509 43.768 40.641 40.065 39.504 38.957 38.425 37.905 37.398 36.903 36.420 35.948 35.487 35.037 34.597 34.167 33.746 33.334 32.932 32.538 32.152 31.775 31.406 93.681 86.550 80.455 75.180 70.567 66.496 62.872 59.625 56.695 54.038 51.616 49.398 47.358 45.475 43.731 40.597 40.020 39.458 38.911 38.377 37.857 37.349 36.854 36.370 35.898 35.437 34.986 34.546 34.116 33.695 33.284 32.882 32.488 32.103 31.726 31.357 93.702 86.560 80.460 75.182 70.566 66.492 62.866 59.616 56.684 54.024 51.599 49.377 47.334 45.447 43.698 40.558 39.980 39.417 38.868 38.333 37.812 37.303 36.807 36.323 35.850 35.388 34.937 34.496 34.065 33.644 33.232 32.829 32.435 32.049 31.672 31.302 93.724 86.571 80.466 75.185 70.566 66.490 62.862 59.609 56.675 54.013 51.584 49.360 47.313 45.422 43.671 40.523 39.944 39.380 38.830 38.294 37.772 37.262 36.765 36.279 35.806 35.343 34.891 34.449 34.017 33.595 33.182 32.778 32.383 31.997 31.619 31.248 99999.999 86.582 80.473 75.188 70.567 66.488 62.858 59.604 56.667 54.003 51.572 49.345 47.295 45.402 43.647 40.493 39.912 39.347 38.796 38.259 37.736 37.225 36.727 36.240 35.765 35.302 34.849 34.406 33.973 33.550 33.136 32.732 32.336 31.948 31.569 31.198 Sm+2 Sm(+2) P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 5 -1.125 1 -0.125 4 1.000 56 0.125 6 0.500 2 34.153 30.673 27.702 25.139 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.153 30.673 27.702 25.139 22.905 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.154 30.673 27.702 25.140 22.905 20.936 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.154 30.674 27.703 25.140 22.906 20.937 19.187 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.155 30.675 27.704 25.142 22.907 20.938 19.188 17.618 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.157 30.677 27.706 25.143 22.909 20.940 19.190 17.620 16.202 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.160 30.680 27.709 25.146 22.911 20.943 19.192 17.623 16.205 14.914 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.164 30.684 27.713 25.150 22.915 20.947 19.196 17.627 16.209 14.918 13.733 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.169 30.689 27.718 25.156 22.921 20.952 19.202 17.632 16.215 14.924 13.740 12.645 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.177 30.697 27.726 25.163 22.928 20.959 19.209 17.640 16.222 14.932 13.749 12.655 11.643 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.186 30.707 27.735 25.172 22.937 20.968 19.218 17.649 16.232 14.943 13.761 12.668 11.656 10.740 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.198 30.719 27.748 25.184 22.949 20.980 19.230 17.662 16.245 14.957 13.776 12.686 11.675 10.747 9.995 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.207 30.729 27.757 25.193 22.958 20.989 19.239 17.671 16.255 14.967 13.787 12.699 11.691 10.758 9.924 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.220 30.742 27.771 25.207 22.971 21.002 19.252 17.684 16.269 14.982 13.803 12.718 11.713 10.780 9.907 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.233 30.756 27.784 25.220 22.984 21.015 19.265 17.697 16.282 14.996 13.819 12.736 11.735 10.805 9.923 11.361 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.246 30.769 27.797 25.232 22.996 21.027 19.277 17.710 16.295 15.010 13.835 12.754 11.756 10.831 9.952 9.664 10.212 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.258 30.782 27.810 25.245 23.009 21.039 19.290 17.723 16.309 15.024 13.850 12.771 11.777 10.856 9.985 9.255 9.331 9.619 10.144 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.270 30.795 27.823 25.258 23.021 21.052 19.302 17.735 16.321 15.037 13.864 12.788 11.797 10.881 10.018 9.069 8.998 9.025 9.182 9.474 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.283 30.808 27.835 25.270 23.033 21.064 19.314 17.747 16.334 15.051 13.879 12.804 11.815 10.904 10.051 8.965 8.826 8.744 8.735 8.814 8.979 9.200 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.295 30.820 27.848 25.282 23.045 21.076 19.326 17.760 16.346 15.064 13.893 12.819 11.833 10.926 10.081 8.900 8.723 8.585 8.494 8.459 8.487 8.573 8.702 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.307 30.833 27.860 25.294 23.057 21.087 19.338 17.772 16.359 15.076 13.906 12.834 11.850 10.946 10.108 8.857 8.657 8.485 8.347 8.248 8.194 8.185 8.220 8.287 8.373 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.318 30.845 27.873 25.306 23.069 21.099 19.350 17.783 16.371 15.089 13.919 12.849 11.866 10.964 10.133 8.829 8.613 8.419 8.252 8.113 8.007 7.937 7.903 7.902 7.927 7.969 8.019 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.330 30.857 27.885 25.318 23.080 21.110 19.361 17.795 16.383 15.101 13.932 12.863 11.881 10.981 10.154 8.810 8.582 8.374 8.186 8.021 7.882 7.771 7.689 7.635 7.608 7.603 7.614 7.635 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.341 30.870 27.897 25.330 23.092 21.122 19.372 17.806 16.394 15.113 13.945 12.876 11.896 10.997 10.172 8.797 8.562 8.342 8.140 7.957 7.795 7.656 7.540 7.448 7.380 7.334 7.306 7.294 7.292 7.298 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.353 30.882 27.909 25.342 23.103 21.133 19.384 17.818 16.406 15.125 13.958 12.889 11.909 11.011 10.188 8.790 8.547 8.320 8.107 7.911 7.733 7.573 7.433 7.313 7.214 7.135 7.074 7.030 7.000 6.981 6.971 99999.999 99999.999 99999.999 99999.999 99999.999 34.364 30.893 27.920 25.353 23.115 21.144 19.395 17.829 16.417 15.137 13.970 12.902 11.922 11.024 10.201 8.786 8.538 8.304 8.084 7.878 7.687 7.512 7.354 7.214 7.091 6.986 6.899 6.827 6.771 6.727 6.694 6.670 6.655 99999.999 99999.999 99999.999 34.375 30.905 27.932 25.365 23.126 21.155 19.406 17.840 16.429 15.149 13.982 12.914 11.934 11.036 10.213 8.784 8.533 8.294 8.067 7.853 7.653 7.467 7.295 7.139 6.999 6.874 6.765 6.671 6.591 6.524 6.470 6.425 6.391 6.365 99999.999 99999.999 34.386 30.917 27.944 25.376 23.137 21.166 19.417 17.851 16.440 15.160 13.993 12.926 11.946 11.047 10.223 8.785 8.531 8.287 8.056 7.836 7.628 7.433 7.251 7.083 6.928 6.788 6.661 6.549 6.450 6.363 6.289 6.226 6.173 6.129 6.095 6.068 34.397 30.929 27.955 25.387 23.148 21.177 19.427 17.862 16.451 15.171 14.005 12.937 11.958 11.059 10.233 8.788 8.530 8.284 8.048 7.824 7.610 7.408 7.218 7.040 6.874 6.721 6.581 6.453 6.338 6.235 6.144 6.063 5.993 5.933 5.882 5.839 34.500 31.039 28.065 25.495 23.253 21.280 19.529 17.964 16.554 15.277 14.113 13.048 12.069 11.168 10.336 8.857 8.588 8.327 8.074 7.829 7.591 7.361 7.138 6.922 6.713 6.511 6.316 6.127 5.945 5.769 5.600 5.437 5.281 5.130 4.985 4.847 34.595 31.141 28.168 25.595 23.351 21.376 19.624 18.058 16.648 15.372 14.210 13.147 12.170 11.270 10.437 8.950 8.678 8.414 8.157 7.907 7.663 7.427 7.197 6.972 6.754 6.542 6.335 6.133 5.936 5.745 5.558 5.376 5.199 5.026 4.857 4.693 34.682 31.237 28.264 25.689 23.443 21.465 19.712 18.145 16.735 15.460 14.299 13.237 12.262 11.363 10.532 9.044 8.771 8.506 8.247 7.996 7.751 7.513 7.281 7.054 6.833 6.617 6.407 6.202 6.001 5.805 5.613 5.426 5.242 5.063 4.887 4.715 34.764 31.328 28.355 25.779 23.530 21.550 19.795 18.226 16.816 15.541 14.381 13.320 12.347 11.449 10.619 9.133 8.860 8.594 8.336 8.085 7.839 7.601 7.368 7.141 6.919 6.702 6.491 6.285 6.083 5.885 5.692 5.503 5.318 5.137 4.959 4.785 34.842 31.415 28.443 25.865 23.613 21.632 19.874 18.304 16.893 15.617 14.457 13.397 12.425 11.529 10.700 9.216 8.943 8.678 8.420 8.169 7.924 7.685 7.452 7.225 7.003 6.787 6.576 6.369 6.167 5.969 5.776 5.587 5.401 5.220 5.041 4.867 34.916 31.499 28.527 25.947 23.694 21.710 19.950 18.378 16.966 15.690 14.529 13.470 12.498 11.603 10.775 9.293 9.021 8.757 8.499 8.248 8.003 7.765 7.532 7.306 7.084 6.868 6.657 6.450 6.249 6.051 5.858 5.669 5.484 5.302 5.124 4.950 34.988 31.580 28.608 26.027 23.771 21.785 20.023 18.450 17.036 15.759 14.598 13.539 12.567 11.673 10.846 9.366 9.094 8.830 8.573 8.322 8.078 7.840 7.608 7.381 7.160 6.945 6.734 6.528 6.326 6.129 5.936 5.748 5.563 5.382 5.204 5.030 99999.999 31.659 28.688 26.105 23.847 21.858 20.094 18.519 17.104 15.826 14.664 13.605 12.633 11.739 10.913 9.434 9.163 8.899 8.642 8.392 8.148 7.911 7.679 7.453 7.232 7.017 6.806 6.600 6.399 6.203 6.010 5.822 5.638 5.457 5.280 5.106 Sm+4 Sm(+4) P-T:All Charge = 4. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 5 1.125 1 0.125 4 1.000 56 -0.125 6 -0.500 2 89.905 83.163 77.379 72.368 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.905 83.163 77.379 72.368 67.987 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.905 83.163 77.379 72.368 67.987 64.125 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.905 83.163 77.379 72.368 67.987 64.124 60.694 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.905 83.163 77.378 72.368 67.987 64.124 60.693 57.627 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.905 83.163 77.378 72.368 67.986 64.123 60.693 57.626 54.869 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.904 83.162 77.378 72.367 67.986 64.123 60.692 57.625 54.867 52.377 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.904 83.162 77.377 72.366 67.985 64.122 60.690 57.623 54.865 52.375 50.117 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.904 83.161 77.376 72.365 67.984 64.120 60.688 57.620 54.862 52.371 50.113 48.059 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.903 83.160 77.375 72.364 67.982 64.118 60.686 57.617 54.858 52.366 50.107 48.051 46.165 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.903 83.159 77.374 72.362 67.980 64.115 60.682 57.613 54.853 52.360 50.099 48.041 46.156 44.379 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.902 83.158 77.372 72.360 67.977 64.112 60.678 57.608 54.847 52.352 50.089 48.028 46.142 44.386 42.571 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.902 83.157 77.371 72.358 67.975 64.109 60.675 57.604 54.842 52.346 50.081 48.018 46.130 44.382 42.697 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.901 83.156 77.369 72.356 67.972 64.106 60.671 57.599 54.836 52.338 50.071 48.004 46.112 44.366 42.748 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.901 83.155 77.367 72.354 67.969 64.102 60.666 57.593 54.829 52.330 50.061 47.991 46.094 44.346 42.745 35.181 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.901 83.153 77.365 72.351 67.967 64.099 60.662 57.588 54.823 52.323 50.051 47.977 46.076 44.323 42.723 37.903 36.048 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.900 83.152 77.364 72.349 67.964 64.096 60.658 57.583 54.817 52.315 50.041 47.965 46.059 44.300 42.692 38.557 37.458 36.042 34.243 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.900 83.151 77.362 72.347 67.961 64.093 60.654 57.579 54.811 52.308 50.032 47.953 46.043 44.278 42.659 38.859 37.995 36.998 35.813 34.421 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.900 83.150 77.360 72.345 67.959 64.089 60.650 57.574 54.806 52.301 50.024 47.942 46.027 44.258 42.626 39.036 38.277 37.453 36.535 35.498 34.336 33.087 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.900 83.149 77.359 72.343 67.956 64.087 60.647 57.569 54.800 52.294 50.015 47.931 46.013 44.239 42.597 39.150 38.450 37.715 36.929 36.075 35.142 34.129 33.058 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.900 83.148 77.358 72.341 67.954 64.084 60.643 57.565 54.795 52.288 50.007 47.921 46.001 44.222 42.571 39.230 38.566 37.884 37.172 36.421 35.622 34.767 33.859 32.911 31.944 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.900 83.147 77.356 72.340 67.952 64.081 60.640 57.561 54.790 52.282 50.000 47.912 45.989 44.207 42.548 39.287 38.649 38.000 37.335 36.647 35.930 35.176 34.383 33.554 32.697 31.823 30.948 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.900 83.146 77.355 72.338 67.950 64.078 60.636 57.557 54.784 52.275 49.992 47.903 45.979 44.194 42.530 39.330 38.709 38.084 37.451 36.804 36.140 35.452 34.738 33.996 33.229 32.441 31.640 30.835 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.900 83.146 77.354 72.336 67.948 64.075 60.633 57.553 54.780 52.270 49.985 47.895 45.969 44.183 42.516 39.361 38.754 38.146 37.535 36.918 36.290 35.648 34.988 34.309 33.610 32.892 32.159 31.417 30.669 29.922 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.900 83.145 77.352 72.335 67.945 64.073 60.630 57.549 54.775 52.264 49.979 47.887 45.960 44.174 42.505 39.386 38.788 38.193 37.599 37.002 36.401 35.791 35.170 34.536 33.888 33.226 32.550 31.862 31.167 30.467 29.766 99999.999 99999.999 99999.999 99999.999 99999.999 89.900 83.144 77.351 72.333 67.943 64.070 60.627 57.545 54.770 52.258 49.972 47.880 45.953 44.166 42.496 39.404 38.814 38.230 37.648 37.067 36.485 35.899 35.307 34.706 34.097 33.476 32.845 32.205 31.556 30.901 30.241 29.580 28.917 99999.999 99999.999 99999.999 89.900 83.144 77.350 72.331 67.941 64.068 60.624 57.541 54.766 52.253 49.966 47.873 45.945 44.159 42.490 39.418 38.835 38.258 37.686 37.117 36.550 35.982 35.411 34.836 34.256 33.668 33.073 32.470 31.860 31.244 30.623 29.999 29.372 28.743 99999.999 99999.999 89.901 83.143 77.349 72.330 67.940 64.066 60.621 57.538 54.761 52.248 49.960 47.866 45.939 44.153 42.486 39.428 38.850 38.280 37.716 37.157 36.601 36.047 35.493 34.937 34.379 33.817 33.250 32.678 32.100 31.517 30.930 30.339 29.745 29.149 28.551 27.952 89.901 83.143 77.348 72.328 67.938 64.063 60.618 57.534 54.757 52.243 49.954 47.860 45.932 44.147 42.482 39.436 38.862 38.297 37.739 37.188 36.641 36.098 35.557 35.017 34.477 33.935 33.390 32.842 32.291 31.736 31.177 30.616 30.051 29.485 28.916 28.346 89.908 83.140 77.340 72.316 67.922 64.043 60.593 57.503 54.719 52.198 49.902 47.801 45.870 44.086 42.430 39.435 38.880 38.338 37.807 37.288 36.780 36.282 35.793 35.313 34.842 34.378 33.922 33.472 33.029 32.592 32.160 31.733 31.310 30.892 30.478 30.068 89.918 83.140 77.335 72.307 67.909 64.027 60.573 57.479 54.690 52.162 49.860 47.753 45.817 44.029 42.372 39.388 38.837 38.300 37.775 37.264 36.764 36.276 35.799 35.332 34.876 34.429 33.991 33.562 33.142 32.730 32.326 31.929 31.540 31.157 30.782 30.413 89.931 83.143 77.332 72.301 67.900 64.015 60.557 57.459 54.666 52.133 49.825 47.713 45.771 43.979 42.319 39.333 38.783 38.246 37.724 37.214 36.716 36.231 35.757 35.294 34.841 34.399 33.967 33.544 33.130 32.725 32.329 31.941 31.562 31.190 30.825 30.468 89.947 83.148 77.332 72.297 67.893 64.005 60.545 57.443 54.646 52.109 49.796 47.679 45.733 43.936 42.271 39.280 38.729 38.192 37.669 37.160 36.662 36.177 35.703 35.241 34.790 34.348 33.917 33.496 33.084 32.681 32.287 31.902 31.525 31.156 30.795 30.441 89.964 83.154 77.333 72.295 67.888 63.997 60.534 57.430 54.629 52.089 49.773 47.651 45.700 43.899 42.230 39.232 38.680 38.142 37.618 37.108 36.609 36.124 35.650 35.187 34.735 34.294 33.862 33.441 33.029 32.626 32.233 31.848 31.471 31.102 30.742 30.389 89.983 83.162 77.336 72.294 67.884 63.991 60.526 57.419 54.616 52.072 49.752 47.627 45.672 43.867 42.194 39.189 38.635 38.097 37.572 37.060 36.561 36.074 35.599 35.135 34.682 34.240 33.808 33.386 32.974 32.571 32.176 31.790 31.413 31.044 30.683 30.329 90.002 83.170 77.339 72.294 67.882 63.986 60.518 57.409 54.604 52.058 49.735 47.607 45.648 43.840 42.163 39.151 38.596 38.056 37.530 37.017 36.516 36.029 35.552 35.088 34.634 34.191 33.758 33.335 32.922 32.517 32.122 31.736 31.357 30.987 30.625 30.271 99999.999 83.179 77.343 72.296 67.880 63.983 60.513 57.401 54.594 52.045 49.720 47.589 45.628 43.816 42.136 39.117 38.561 38.020 37.492 36.978 36.477 35.988 35.511 35.045 34.590 34.146 33.712 33.288 32.873 32.468 32.072 31.685 31.305 30.934 30.571 30.216 SmCO3+ SmCO3+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 3 -1.000 1 1.000 5 1.000 56 2.414 2.479 2.560 2.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.414 2.479 2.560 2.649 2.738 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.414 2.479 2.560 2.649 2.738 2.820 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.414 2.479 2.560 2.649 2.738 2.820 2.892 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.413 2.478 2.560 2.649 2.737 2.820 2.892 2.947 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.413 2.478 2.559 2.648 2.737 2.820 2.892 2.948 2.982 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.412 2.477 2.558 2.647 2.737 2.820 2.893 2.949 2.984 2.990 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.411 2.475 2.557 2.646 2.736 2.820 2.893 2.951 2.987 2.994 2.960 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.410 2.473 2.555 2.645 2.735 2.820 2.894 2.953 2.991 3.000 2.970 2.881 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.408 2.471 2.553 2.643 2.734 2.820 2.895 2.955 2.995 3.008 2.983 2.902 2.734 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.405 2.467 2.549 2.640 2.732 2.820 2.897 2.959 3.002 3.019 2.999 2.928 2.779 2.493 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.401 2.462 2.545 2.637 2.730 2.819 2.898 2.963 3.009 3.031 3.019 2.960 2.832 2.588 2.060 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.398 2.458 2.541 2.634 2.728 2.818 2.899 2.966 3.015 3.040 3.034 2.983 2.870 2.654 2.203 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.393 2.452 2.535 2.629 2.725 2.817 2.900 2.969 3.022 3.052 3.053 3.014 2.920 2.738 2.369 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.387 2.446 2.529 2.624 2.721 2.815 2.900 2.973 3.029 3.063 3.071 3.043 2.966 2.814 2.508 1.436 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.382 2.439 2.523 2.619 2.718 2.813 2.900 2.975 3.035 3.074 3.088 3.069 3.007 2.882 2.628 2.250 1.812 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.376 2.432 2.517 2.614 2.714 2.811 2.900 2.978 3.040 3.084 3.103 3.094 3.046 2.942 2.734 2.476 2.268 1.934 1.344 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.369 2.425 2.511 2.608 2.710 2.809 2.900 2.980 3.045 3.093 3.118 3.116 3.080 2.997 2.827 2.618 2.477 2.284 2.002 1.575 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.363 2.418 2.504 2.603 2.706 2.806 2.899 2.982 3.050 3.101 3.131 3.137 3.112 3.047 2.910 2.726 2.618 2.480 2.298 2.052 1.710 1.247 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.356 2.411 2.497 2.597 2.701 2.803 2.898 2.983 3.054 3.109 3.144 3.156 3.141 3.091 2.982 2.815 2.727 2.619 2.485 2.314 2.093 1.805 1.438 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.348 2.403 2.490 2.591 2.696 2.800 2.897 2.984 3.058 3.116 3.156 3.174 3.168 3.131 3.046 2.891 2.818 2.730 2.623 2.492 2.331 2.130 1.881 1.577 1.214 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.341 2.395 2.483 2.585 2.691 2.797 2.896 2.985 3.061 3.123 3.166 3.191 3.192 3.167 3.102 2.958 2.896 2.822 2.734 2.629 2.502 2.350 2.167 1.947 1.687 1.388 1.052 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.333 2.387 2.475 2.578 2.686 2.793 2.894 2.985 3.064 3.129 3.177 3.206 3.214 3.199 3.151 3.018 2.965 2.902 2.827 2.740 2.637 2.515 2.372 2.203 2.007 1.782 1.528 1.249 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.325 2.379 2.468 2.572 2.681 2.789 2.892 2.986 3.067 3.135 3.186 3.220 3.235 3.228 3.194 3.073 3.027 2.972 2.908 2.834 2.748 2.647 2.530 2.396 2.241 2.065 1.867 1.648 1.412 1.161 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.317 2.370 2.460 2.565 2.676 2.785 2.890 2.985 3.069 3.140 3.195 3.233 3.253 3.254 3.231 3.123 3.083 3.035 2.980 2.916 2.843 2.758 2.660 2.549 2.422 2.279 2.120 1.945 1.755 1.552 1.340 99999.999 99999.999 99999.999 99999.999 99999.999 2.308 2.361 2.452 2.558 2.670 2.781 2.887 2.985 3.071 3.144 3.203 3.245 3.270 3.277 3.263 3.169 3.134 3.093 3.045 2.990 2.926 2.853 2.770 2.676 2.570 2.451 2.320 2.175 2.019 1.852 1.677 1.495 1.309 99999.999 99999.999 99999.999 2.300 2.353 2.444 2.551 2.664 2.777 2.885 2.984 3.073 3.149 3.210 3.256 3.286 3.298 3.292 3.211 3.181 3.146 3.104 3.056 3.000 2.937 2.865 2.784 2.694 2.593 2.482 2.361 2.230 2.090 1.943 1.790 1.633 1.474 99999.999 99999.999 2.290 2.343 2.435 2.544 2.658 2.773 2.882 2.984 3.075 3.153 3.217 3.266 3.300 3.317 3.317 3.251 3.225 3.194 3.158 3.116 3.067 3.012 2.950 2.879 2.801 2.715 2.619 2.516 2.404 2.285 2.160 2.029 1.894 1.758 1.621 1.485 2.281 2.334 2.427 2.537 2.652 2.768 2.879 2.983 3.076 3.156 3.224 3.276 3.314 3.335 3.340 3.288 3.266 3.240 3.208 3.171 3.129 3.080 3.026 2.964 2.896 2.820 2.738 2.648 2.552 2.449 2.340 2.227 2.111 1.992 1.873 1.754 2.177 2.233 2.335 2.456 2.584 2.714 2.840 2.961 3.073 3.176 3.268 3.348 3.417 3.473 3.518 3.567 3.571 3.571 3.569 3.564 3.557 3.547 3.534 3.518 3.499 3.477 3.453 3.425 3.395 3.362 3.327 3.290 3.250 3.209 3.167 3.123 2.054 2.118 2.231 2.364 2.504 2.647 2.787 2.922 3.051 3.172 3.284 3.386 3.478 3.560 3.632 3.746 3.763 3.779 3.793 3.805 3.816 3.824 3.831 3.835 3.838 3.839 3.837 3.834 3.829 3.822 3.813 3.803 3.790 3.777 3.761 3.744 1.916 1.991 2.117 2.262 2.415 2.570 2.723 2.872 3.015 3.152 3.280 3.400 3.510 3.613 3.706 3.867 3.895 3.922 3.947 3.970 3.993 4.013 4.032 4.050 4.066 4.080 4.093 4.105 4.114 4.123 4.129 4.135 4.138 4.141 4.142 4.141 1.767 1.856 1.995 2.153 2.319 2.486 2.651 2.813 2.969 3.118 3.261 3.396 3.523 3.642 3.753 3.952 3.988 4.022 4.056 4.088 4.119 4.149 4.177 4.204 4.229 4.254 4.277 4.298 4.318 4.337 4.355 4.371 4.386 4.399 4.412 4.423 1.609 1.714 1.866 2.038 2.216 2.396 2.573 2.746 2.913 3.075 3.231 3.379 3.520 3.653 3.780 4.010 4.052 4.094 4.134 4.173 4.211 4.247 4.283 4.317 4.350 4.382 4.413 4.442 4.470 4.497 4.523 4.547 4.571 4.593 4.613 4.633 1.444 1.565 1.732 1.917 2.108 2.300 2.488 2.672 2.851 3.024 3.191 3.351 3.505 3.651 3.790 4.048 4.096 4.143 4.189 4.233 4.277 4.320 4.361 4.401 4.441 4.478 4.515 4.551 4.585 4.619 4.651 4.682 4.712 4.740 4.768 4.794 1.272 1.411 1.594 1.792 1.996 2.199 2.399 2.594 2.783 2.967 3.144 3.315 3.480 3.638 3.789 4.070 4.123 4.175 4.225 4.275 4.324 4.371 4.418 4.463 4.507 4.551 4.593 4.633 4.673 4.712 4.749 4.785 4.821 4.855 4.887 4.919 99999.999 1.254 1.451 1.663 1.880 2.095 2.305 2.511 2.710 2.904 3.091 3.273 3.447 3.615 3.777 4.079 4.136 4.193 4.248 4.302 4.355 4.407 4.458 4.507 4.556 4.604 4.650 4.695 4.739 4.782 4.824 4.865 4.905 4.943 4.980 5.017 SmHCO3+2 SmHCO3+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 2 1.000 5 1.000 56 -1.702 -1.772 -1.939 -2.153 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.702 -1.772 -1.939 -2.153 -2.397 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.702 -1.772 -1.939 -2.153 -2.397 -2.662 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.702 -1.772 -1.939 -2.153 -2.396 -2.661 -2.944 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.701 -1.772 -1.938 -2.153 -2.396 -2.661 -2.944 -3.244 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.700 -1.771 -1.938 -2.152 -2.395 -2.660 -2.942 -3.243 -3.562 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.699 -1.770 -1.937 -2.151 -2.394 -2.658 -2.941 -3.241 -3.559 -3.902 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.698 -1.769 -1.936 -2.150 -2.393 -2.656 -2.938 -3.237 -3.555 -3.896 -4.269 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.695 -1.768 -1.934 -2.148 -2.391 -2.654 -2.935 -3.233 -3.549 -3.888 -4.258 -4.674 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 3 -1.000 1 1.000 2 1.000 56 9.297 7.981 6.876 5.940 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.297 7.981 6.876 5.940 5.135 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.297 7.981 6.877 5.940 5.136 4.436 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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2.418 2.006 1.621 1.257 0.914 0.607 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.414 8.100 6.993 6.052 5.244 4.542 3.925 3.378 2.886 2.439 2.029 1.647 1.288 0.947 0.608 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.437 8.123 7.015 6.074 5.265 4.562 3.946 3.398 2.906 2.460 2.052 1.673 1.319 0.983 0.639 3.020 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.459 8.146 7.037 6.095 5.286 4.583 3.965 3.418 2.926 2.481 2.074 1.698 1.348 1.018 0.682 1.387 2.091 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.481 8.168 7.059 6.116 5.306 4.602 3.985 3.437 2.946 2.502 2.096 1.723 1.377 1.053 0.728 0.999 1.248 1.695 2.356 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.502 8.190 7.080 6.137 5.326 4.622 4.004 3.456 2.965 2.522 2.117 1.746 1.404 1.086 0.773 0.829 0.935 1.131 1.446 1.882 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.524 8.212 7.102 6.157 5.346 4.641 4.023 3.475 2.985 2.541 2.138 1.769 1.430 1.118 0.817 0.737 0.778 0.869 1.026 1.261 1.572 1.926 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.545 8.234 7.123 6.178 5.366 4.661 4.042 3.494 3.003 2.561 2.158 1.791 1.455 1.148 0.857 0.682 0.687 0.724 0.802 0.930 1.112 1.344 1.609 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.565 8.255 7.144 6.198 5.385 4.679 4.061 3.512 3.022 2.580 2.178 1.812 1.478 1.175 0.893 0.649 0.631 0.637 0.670 0.736 0.840 0.983 1.163 1.368 1.583 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.586 8.276 7.164 6.217 5.404 4.698 4.079 3.531 3.040 2.598 2.197 1.832 1.501 1.201 0.926 0.629 0.596 0.581 0.586 0.614 0.670 0.755 0.870 1.012 1.174 1.348 1.523 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.606 8.297 7.184 6.237 5.423 4.716 4.097 3.549 3.058 2.617 2.216 1.852 1.522 1.224 0.955 0.618 0.575 0.545 0.531 0.534 0.558 0.605 0.675 0.768 0.882 1.014 1.156 1.303 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.626 8.317 7.205 6.256 5.442 4.735 4.115 3.566 3.076 2.635 2.235 1.871 1.542 1.246 0.981 0.613 0.562 0.522 0.494 0.480 0.482 0.502 0.540 0.598 0.674 0.768 0.875 0.994 1.119 1.248 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.646 8.338 7.224 6.276 5.460 4.753 4.133 3.584 3.094 2.652 2.253 1.890 1.562 1.266 1.003 0.612 0.555 0.507 0.470 0.443 0.430 0.430 0.446 0.477 0.525 0.588 0.665 0.754 0.854 0.961 1.074 99999.999 99999.999 99999.999 99999.999 99999.999 9.666 8.358 7.244 6.295 5.479 4.770 4.150 3.601 3.111 2.670 2.270 1.908 1.580 1.285 1.023 0.615 0.553 0.499 0.454 0.419 0.394 0.380 0.379 0.390 0.416 0.455 0.507 0.571 0.646 0.730 0.823 0.922 1.027 99999.999 99999.999 99999.999 9.685 8.378 7.263 6.313 5.497 4.788 4.167 3.618 3.128 2.687 2.288 1.926 1.598 1.303 1.040 0.620 0.555 0.496 0.445 0.402 0.368 0.344 0.330 0.327 0.335 0.355 0.387 0.430 0.484 0.548 0.620 0.700 0.787 0.881 99999.999 99999.999 9.704 8.397 7.283 6.332 5.515 4.806 4.184 3.635 3.145 2.704 2.305 1.943 1.616 1.320 1.056 0.628 0.559 0.496 0.441 0.392 0.351 0.319 0.295 0.281 0.276 0.281 0.297 0.323 0.358 0.403 0.457 0.520 0.589 0.666 0.750 0.840 9.723 8.417 7.302 6.350 5.532 4.823 4.201 3.652 3.161 2.721 2.322 1.960 1.633 1.337 1.072 0.636 0.565 0.499 0.440 0.387 0.341 0.302 0.270 0.247 0.231 0.225 0.228 0.239 0.260 0.290 0.328 0.374 0.427 0.488 0.556 0.630 9.901 8.602 7.483 6.526 5.701 4.986 4.361 3.809 3.317 2.877 2.480 2.120 1.792 1.495 1.224 0.758 0.676 0.597 0.522 0.450 0.381 0.316 0.254 0.196 0.140 0.088 0.039 -0.006 -0.048 -0.087 -0.122 -0.154 -0.182 -0.207 -0.229 -0.247 10.063 8.772 7.650 6.687 5.857 5.136 4.506 3.951 3.459 3.018 2.621 2.262 1.936 1.638 1.367 0.894 0.809 0.727 0.648 0.572 0.499 0.428 0.359 0.293 0.230 0.168 0.109 0.052 -0.004 -0.057 -0.108 -0.158 -0.205 -0.251 -0.295 -0.338 10.212 8.930 7.806 6.838 6.002 5.276 4.642 4.084 3.589 3.147 2.750 2.391 2.066 1.769 1.498 1.024 0.939 0.856 0.776 0.699 0.624 0.552 0.481 0.413 0.347 0.283 0.221 0.161 0.102 0.045 -0.011 -0.065 -0.118 -0.170 -0.220 -0.269 10.351 9.079 7.953 6.980 6.139 5.408 4.769 4.207 3.710 3.266 2.868 2.510 2.185 1.889 1.619 1.146 1.060 0.978 0.898 0.820 0.745 0.672 0.602 0.533 0.467 0.402 0.339 0.278 0.218 0.160 0.103 0.048 -0.007 -0.060 -0.112 -0.163 10.482 9.220 8.092 7.115 6.269 5.533 4.890 4.325 3.824 3.378 2.979 2.620 2.295 2.000 1.731 1.259 1.173 1.091 1.011 0.934 0.859 0.786 0.716 0.647 0.581 0.516 0.453 0.392 0.332 0.274 0.217 0.162 0.107 0.054 0.002 -0.049 10.607 9.355 8.226 7.244 6.393 5.653 5.006 4.436 3.933 3.485 3.084 2.724 2.399 2.104 1.835 1.364 1.279 1.197 1.117 1.040 0.966 0.893 0.823 0.755 0.689 0.624 0.561 0.500 0.441 0.383 0.326 0.271 0.217 0.164 0.112 0.061 10.726 9.485 8.355 7.369 6.513 5.768 5.116 4.543 4.037 3.586 3.184 2.823 2.497 2.201 1.933 1.462 1.378 1.296 1.217 1.140 1.065 0.993 0.923 0.855 0.789 0.725 0.663 0.602 0.543 0.485 0.429 0.374 0.321 0.268 0.217 0.166 99999.999 9.611 8.479 7.489 6.629 5.879 5.224 4.647 4.137 3.684 3.279 2.917 2.590 2.294 2.025 1.555 1.471 1.389 1.310 1.233 1.159 1.087 1.017 0.950 0.884 0.820 0.758 0.698 0.639 0.582 0.526 0.471 0.418 0.366 0.315 0.265 SmO+ SmO+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 3 -2.000 1 1.000 2 1.000 56 18.936 16.484 14.479 12.812 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.936 16.484 14.479 12.812 11.405 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.937 16.484 14.480 12.813 11.406 10.203 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.938 16.486 14.481 12.814 11.407 10.204 9.162 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.940 16.488 14.483 12.816 11.409 10.206 9.164 8.250 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.944 16.492 14.487 12.820 11.413 10.210 9.167 8.253 7.442 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.949 16.497 14.492 12.825 11.418 10.215 9.172 8.259 7.447 6.717 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.957 16.505 14.500 12.832 11.425 10.222 9.180 8.266 7.456 6.726 6.056 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.968 16.515 14.510 12.842 11.435 10.232 9.190 8.277 7.467 6.738 6.070 5.444 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.982 16.529 14.524 12.856 11.448 10.245 9.203 8.291 7.481 6.754 6.088 5.465 4.877 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.000 16.548 14.542 12.873 11.466 10.262 9.221 8.309 7.500 6.775 6.111 5.493 4.909 4.375 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.023 16.571 14.565 12.896 11.488 10.284 9.243 8.332 7.525 6.801 6.141 5.529 4.951 4.408 4.008 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.041 16.589 14.583 12.913 11.505 10.301 9.260 8.349 7.543 6.821 6.164 5.556 4.984 4.442 3.939 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.066 16.615 14.608 12.938 11.529 10.325 9.284 8.374 7.569 6.849 6.195 5.593 5.030 4.495 3.953 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.091 16.640 14.632 12.962 11.552 10.349 9.308 8.399 7.595 6.876 6.226 5.630 5.076 4.551 4.010 7.323 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.115 16.665 14.657 12.985 11.576 10.372 9.332 8.423 7.620 6.903 6.256 5.665 5.119 4.606 4.080 5.053 6.023 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.140 16.690 14.681 13.009 11.599 10.395 9.355 8.446 7.644 6.929 6.285 5.699 5.161 4.660 4.154 4.513 4.852 5.463 6.355 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.163 16.714 14.705 13.032 11.622 10.417 9.377 8.470 7.669 6.955 6.313 5.732 5.200 4.710 4.227 4.278 4.418 4.683 5.111 5.697 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.187 16.738 14.728 13.055 11.644 10.440 9.400 8.492 7.692 6.980 6.341 5.763 5.238 4.758 4.295 4.153 4.202 4.322 4.534 4.851 5.266 5.730 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.210 16.762 14.751 13.078 11.666 10.461 9.422 8.515 7.716 7.005 6.368 5.793 5.274 4.802 4.357 4.081 4.080 4.125 4.227 4.397 4.641 4.950 5.297 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.233 16.785 14.774 13.100 11.688 10.483 9.444 8.537 7.739 7.029 6.394 5.822 5.307 4.843 4.414 4.038 4.007 4.008 4.048 4.133 4.271 4.462 4.700 4.968 5.244 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.256 16.808 14.797 13.122 11.710 10.504 9.465 8.559 7.761 7.053 6.419 5.850 5.339 4.881 4.464 4.014 3.962 3.934 3.935 3.970 4.041 4.154 4.306 4.494 4.706 4.930 5.152 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.278 16.831 14.819 13.144 11.731 10.526 9.486 8.580 7.783 7.076 6.444 5.877 5.369 4.915 4.508 4.002 3.935 3.888 3.863 3.863 3.892 3.952 4.044 4.167 4.318 4.489 4.673 4.862 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.300 16.854 14.841 13.166 11.752 10.546 9.507 8.601 7.805 7.099 6.468 5.903 5.397 4.947 4.547 3.998 3.921 3.860 3.816 3.793 3.792 3.815 3.864 3.940 4.040 4.164 4.305 4.459 4.621 4.787 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.322 16.876 14.863 13.187 11.773 10.567 9.528 8.622 7.827 7.121 6.491 5.928 5.424 4.976 4.580 4.000 3.915 3.844 3.787 3.746 3.724 3.721 3.740 3.780 3.842 3.925 4.027 4.145 4.276 4.416 4.564 99999.999 99999.999 99999.999 99999.999 99999.999 19.343 16.898 14.885 13.208 11.794 10.587 9.548 8.643 7.848 7.143 6.514 5.952 5.450 5.003 4.609 4.007 3.915 3.836 3.769 3.716 3.678 3.656 3.652 3.666 3.698 3.749 3.818 3.904 4.004 4.116 4.238 4.370 4.509 99999.999 99999.999 99999.999 19.365 16.920 14.907 13.229 11.814 10.608 9.568 8.663 7.869 7.165 6.537 5.976 5.474 5.028 4.635 4.016 3.920 3.835 3.760 3.698 3.648 3.611 3.590 3.584 3.593 3.619 3.662 3.719 3.792 3.877 3.974 4.082 4.200 4.326 99999.999 99999.999 19.386 16.941 14.928 13.250 11.834 10.627 9.588 8.683 7.889 7.186 6.559 5.999 5.498 5.052 4.659 4.029 3.929 3.838 3.758 3.687 3.628 3.581 3.546 3.525 3.517 3.523 3.544 3.579 3.627 3.689 3.762 3.847 3.943 4.048 4.163 4.287 19.406 16.963 14.949 13.270 11.854 10.647 9.607 8.703 7.909 7.207 6.581 6.021 5.521 5.075 4.681 4.043 3.940 3.845 3.760 3.684 3.617 3.562 3.516 3.483 3.461 3.452 3.455 3.471 3.500 3.541 3.593 3.657 3.732 3.817 3.912 4.016 19.602 17.166 15.148 13.465 12.044 10.834 9.792 8.889 8.099 7.401 6.782 6.230 5.736 5.293 4.896 4.228 4.112 4.002 3.897 3.798 3.704 3.615 3.531 3.452 3.377 3.308 3.244 3.185 3.130 3.081 3.037 2.998 2.963 2.934 2.911 2.892 19.779 17.352 15.332 13.643 12.218 11.004 9.961 9.057 8.268 7.574 6.960 6.413 5.925 5.487 5.094 4.425 4.308 4.195 4.087 3.984 3.885 3.790 3.699 3.612 3.529 3.449 3.372 3.299 3.229 3.161 3.097 3.036 2.977 2.921 2.868 2.817 19.942 17.524 15.503 13.810 12.380 11.162 10.116 9.211 8.422 7.731 7.120 6.577 6.093 5.660 5.272 4.609 4.493 4.381 4.273 4.170 4.071 3.975 3.884 3.795 3.710 3.629 3.550 3.474 3.400 3.329 3.261 3.195 3.130 3.068 3.008 2.949 20.093 17.686 15.664 13.967 12.532 11.310 10.261 9.355 8.565 7.874 7.265 6.726 6.246 5.818 5.433 4.778 4.663 4.552 4.446 4.344 4.246 4.151 4.060 3.973 3.888 3.807 3.729 3.653 3.580 3.509 3.440 3.373 3.309 3.246 3.185 3.125 20.235 17.840 15.816 14.115 12.677 11.451 10.399 9.490 8.699 8.008 7.400 6.863 6.386 5.961 5.581 4.933 4.819 4.710 4.605 4.504 4.407 4.314 4.224 4.138 4.055 3.975 3.898 3.823 3.751 3.681 3.613 3.548 3.484 3.422 3.362 3.304 20.370 17.986 15.962 14.257 12.814 11.585 10.529 9.618 8.826 8.134 7.527 6.991 6.516 6.093 5.716 5.075 4.963 4.855 4.751 4.652 4.556 4.464 4.376 4.291 4.209 4.131 4.055 3.981 3.910 3.842 3.776 3.712 3.649 3.589 3.530 3.473 20.499 18.127 16.101 14.393 12.946 11.713 10.654 9.740 8.946 8.253 7.646 7.111 6.637 6.217 5.842 5.207 5.095 4.988 4.886 4.788 4.693 4.603 4.516 4.432 4.352 4.274 4.200 4.128 4.058 3.991 3.926 3.863 3.803 3.744 3.687 3.631 99999.999 18.263 16.237 14.525 13.074 11.837 10.775 9.858 9.062 8.367 7.759 7.224 6.751 6.332 5.959 5.329 5.218 5.113 5.011 4.914 4.821 4.731 4.646 4.563 4.484 4.407 4.334 4.263 4.195 4.129 4.065 4.004 3.944 3.887 3.831 3.776 SmO2H,aq SmO2H(AQ) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 3.000 Ref: Shock07 3 -3.000 1 2.000 2 1.000 56 29.679 25.930 22.933 20.490 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.679 25.930 22.933 20.490 18.468 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.679 25.931 22.934 20.491 18.469 16.773 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.681 25.932 22.935 20.492 18.470 16.775 15.336 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.683 25.935 22.938 20.494 18.472 16.777 15.339 14.104 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.686 25.938 22.941 20.498 18.475 16.780 15.342 14.108 13.035 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.691 25.943 22.946 20.503 18.481 16.786 15.348 14.114 13.041 12.095 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.698 25.951 22.954 20.510 18.488 16.793 15.356 14.122 13.050 12.105 11.252 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.708 25.961 22.964 20.520 18.498 16.803 15.366 14.133 13.062 12.118 11.268 10.480 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.721 25.975 22.978 20.534 18.512 16.817 15.380 14.148 13.078 12.137 11.290 10.508 9.764 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.738 25.993 22.996 20.552 18.529 16.835 15.399 14.167 13.099 12.160 11.318 10.543 9.809 9.109 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.759 26.015 23.018 20.574 18.551 16.857 15.422 14.192 13.126 12.190 11.353 10.586 9.866 9.170 8.541 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.776 26.033 23.036 20.591 18.568 16.874 15.439 14.210 13.146 12.212 11.379 10.619 9.909 9.223 8.523 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.799 26.057 23.060 20.615 18.593 16.899 15.464 14.237 13.174 12.243 11.416 10.665 9.969 9.300 8.589 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.822 26.081 23.084 20.639 18.616 16.923 15.489 14.262 13.202 12.274 11.451 10.709 10.026 9.377 8.687 11.440 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.844 26.105 23.108 20.662 18.639 16.946 15.513 14.287 13.228 12.303 11.485 10.751 10.080 9.450 8.792 9.502 10.288 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.866 26.128 23.131 20.685 18.662 16.969 15.536 14.312 13.255 12.332 11.518 10.791 10.132 9.520 8.895 9.058 9.306 9.781 10.461 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.887 26.151 23.154 20.708 18.685 16.991 15.559 14.336 13.280 12.360 11.550 10.829 10.180 9.585 8.992 8.879 8.956 9.141 9.459 9.892 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.908 26.173 23.176 20.730 18.707 17.014 15.582 14.360 13.305 12.387 11.581 10.866 10.226 9.645 9.083 8.793 8.795 8.857 8.996 9.221 9.517 9.831 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.928 26.195 23.198 20.752 18.728 17.035 15.604 14.383 13.330 12.414 11.611 10.901 10.269 9.701 9.164 8.751 8.712 8.712 8.761 8.867 9.031 9.242 9.471 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.948 26.217 23.220 20.773 18.750 17.057 15.626 14.405 13.354 12.440 11.640 10.934 10.309 9.752 9.237 8.734 8.670 8.634 8.632 8.669 8.749 8.871 9.027 9.199 9.368 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.968 26.238 23.241 20.794 18.771 17.078 15.648 14.428 13.377 12.465 11.668 10.966 10.347 9.798 9.302 8.731 8.650 8.592 8.559 8.554 8.581 8.642 8.734 8.852 8.985 9.122 9.252 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.988 26.259 23.262 20.815 18.791 17.098 15.669 14.449 13.400 12.490 11.695 10.996 10.382 9.841 9.359 8.737 8.646 8.572 8.518 8.486 8.479 8.498 8.543 8.614 8.705 8.811 8.924 9.038 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.007 26.280 23.283 20.836 18.811 17.119 15.689 14.471 13.423 12.514 11.721 11.026 10.415 9.880 9.408 8.749 8.650 8.566 8.498 8.448 8.417 8.407 8.420 8.454 8.508 8.581 8.667 8.762 8.863 8.967 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.025 26.300 23.303 20.856 18.832 17.139 15.710 14.492 13.445 12.538 11.746 11.054 10.446 9.915 9.451 8.766 8.661 8.569 8.491 8.428 8.381 8.351 8.339 8.346 8.372 8.415 8.473 8.545 8.627 8.717 8.815 99999.999 99999.999 99999.999 99999.999 99999.999 30.044 26.320 23.323 20.876 18.851 17.159 15.730 14.512 13.467 12.561 11.771 11.081 10.476 9.948 9.488 8.786 8.676 8.578 8.493 8.420 8.361 8.317 8.288 8.275 8.278 8.297 8.331 8.380 8.441 8.513 8.595 8.686 8.787 99999.999 99999.999 99999.999 30.062 26.340 23.343 20.895 18.871 17.178 15.749 14.533 13.488 12.583 11.796 11.107 10.504 9.978 9.521 8.807 8.695 8.593 8.502 8.422 8.354 8.299 8.257 8.229 8.215 8.215 8.229 8.257 8.298 8.351 8.415 8.491 8.576 8.672 99999.999 99999.999 30.079 26.359 23.363 20.915 18.890 17.197 15.769 14.553 13.509 12.605 11.819 11.132 10.531 10.006 9.551 8.830 8.715 8.610 8.515 8.430 8.355 8.292 8.240 8.201 8.173 8.159 8.157 8.167 8.191 8.226 8.273 8.332 8.401 8.481 8.573 8.676 30.097 26.378 23.382 20.934 18.909 17.216 15.788 14.572 13.529 12.627 11.842 11.157 10.557 10.034 9.579 8.854 8.737 8.630 8.531 8.442 8.363 8.293 8.234 8.185 8.148 8.121 8.106 8.103 8.111 8.131 8.163 8.205 8.259 8.323 8.399 8.486 30.256 26.555 23.561 21.111 19.084 17.391 15.964 14.753 13.717 12.824 12.052 11.379 10.793 10.281 9.834 9.108 8.986 8.871 8.763 8.661 8.565 8.475 8.391 8.312 8.239 8.171 8.109 8.052 8.000 7.953 7.911 7.875 7.844 7.819 7.799 7.784 30.391 26.710 23.720 21.269 19.240 17.546 16.119 14.910 13.879 12.993 12.229 11.567 10.991 10.490 10.053 9.343 9.224 9.110 9.003 8.902 8.807 8.717 8.631 8.551 8.475 8.403 8.335 8.271 8.211 8.155 8.101 8.052 8.005 7.961 7.921 7.883 30.509 26.849 23.863 21.411 19.381 17.685 16.258 15.051 14.022 13.141 12.384 11.729 11.162 10.670 10.243 9.550 9.434 9.324 9.220 9.122 9.029 8.941 8.859 8.780 8.706 8.637 8.571 8.508 8.449 8.393 8.340 8.290 8.242 8.197 8.155 8.114 30.612 26.975 23.993 21.541 19.509 17.812 16.385 15.177 14.150 13.273 12.520 11.872 11.312 10.828 10.409 9.732 9.619 9.512 9.411 9.316 9.227 9.142 9.062 8.987 8.916 8.850 8.786 8.727 8.671 8.618 8.567 8.520 8.475 8.432 8.392 8.353 30.704 27.090 24.113 21.661 19.628 17.930 16.501 15.294 14.268 13.393 12.643 12.000 11.446 10.968 10.555 9.893 9.782 9.678 9.581 9.489 9.402 9.320 9.244 9.172 9.104 9.040 8.980 8.923 8.870 8.820 8.773 8.729 8.687 8.647 8.610 8.575 30.788 27.196 24.225 21.773 19.739 18.039 16.610 15.402 14.376 13.502 12.755 12.115 11.566 11.093 10.686 10.036 9.929 9.827 9.732 9.642 9.558 9.480 9.406 9.336 9.271 9.210 9.153 9.099 9.049 9.002 8.957 8.916 8.877 8.841 8.806 8.774 30.864 27.296 24.329 21.879 19.843 18.142 16.711 15.502 14.477 13.604 12.859 12.221 11.675 11.207 10.805 10.166 10.060 9.961 9.868 9.781 9.699 9.622 9.551 9.484 9.421 9.362 9.308 9.256 9.209 9.164 9.122 9.083 9.047 9.013 8.982 8.952 99999.999 27.391 24.429 21.978 19.942 18.239 16.807 15.598 14.572 13.699 12.955 12.320 11.776 11.311 10.913 10.283 10.179 10.082 9.991 9.906 9.826 9.751 9.682 9.617 9.556 9.500 9.447 9.398 9.352 9.310 9.270 9.234 9.200 9.168 9.139 9.112 SmO2- SmO2- P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 4.000 Ref: Shock07 3 -4.000 1 2.000 2 1.000 56 39.382 35.020 31.478 28.552 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.382 35.020 31.478 28.552 26.102 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.382 35.020 31.478 28.552 26.103 24.030 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.383 35.021 31.479 28.553 26.104 24.031 22.260 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.385 35.023 31.481 28.555 26.106 24.033 22.262 20.737 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.388 35.027 31.484 28.558 26.109 24.036 22.265 20.740 19.417 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.392 35.031 31.489 28.563 26.113 24.040 22.269 20.744 19.421 18.267 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.399 35.038 31.495 28.569 26.119 24.046 22.275 20.750 19.427 18.273 17.259 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.407 35.047 31.504 28.578 26.128 24.054 22.283 20.758 19.435 18.281 17.267 16.376 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.419 35.059 31.516 28.589 26.139 24.065 22.294 20.768 19.446 18.292 17.278 16.387 15.617 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.433 35.075 31.532 28.604 26.153 24.079 22.308 20.782 19.459 18.306 17.293 16.401 15.627 15.024 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.452 35.095 31.552 28.623 26.172 24.097 22.325 20.800 19.477 18.323 17.311 16.420 15.643 15.002 14.743 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.466 35.110 31.567 28.638 26.186 24.111 22.339 20.813 19.490 18.337 17.325 16.436 15.657 15.001 14.556 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.486 35.132 31.588 28.659 26.206 24.131 22.358 20.832 19.509 18.356 17.345 16.457 15.680 15.013 14.465 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.506 35.153 31.609 28.679 26.226 24.150 22.377 20.851 19.528 18.375 17.365 16.479 15.703 15.033 14.449 19.448 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.526 35.173 31.630 28.699 26.245 24.169 22.395 20.869 19.546 18.393 17.384 16.500 15.726 15.057 14.463 15.990 17.526 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.544 35.194 31.650 28.719 26.264 24.187 22.413 20.887 19.564 18.411 17.403 16.520 15.750 15.083 14.490 15.121 15.699 16.706 18.201 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.563 35.214 31.670 28.738 26.283 24.205 22.431 20.904 19.581 18.429 17.421 16.540 15.772 15.108 14.522 14.708 14.983 15.455 16.191 17.205 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.581 35.234 31.689 28.757 26.301 24.223 22.449 20.922 19.599 18.446 17.439 16.559 15.793 15.133 14.556 14.463 14.597 14.845 15.239 15.809 16.555 17.421 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.599 35.253 31.709 28.776 26.319 24.241 22.466 20.939 19.615 18.463 17.457 16.578 15.813 15.156 14.587 14.301 14.356 14.485 14.707 15.041 15.500 16.078 16.744 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.617 35.272 31.728 28.794 26.337 24.258 22.483 20.955 19.632 18.480 17.474 16.595 15.832 15.177 14.615 14.187 14.191 14.250 14.373 14.572 14.858 15.237 15.702 16.232 16.798 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.634 35.291 31.746 28.812 26.355 24.275 22.499 20.972 19.648 18.496 17.490 16.612 15.850 15.196 14.640 14.103 14.073 14.085 14.144 14.260 14.439 14.687 15.006 15.389 15.824 16.291 16.770 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.651 35.309 31.765 28.830 26.372 24.292 22.516 20.988 19.664 18.512 17.506 16.629 15.867 15.214 14.661 14.040 13.985 13.964 13.980 14.040 14.148 14.309 14.525 14.797 15.120 15.485 15.878 16.287 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.667 35.327 31.783 28.848 26.389 24.308 22.532 21.003 19.680 18.528 17.522 16.644 15.882 15.229 14.677 13.992 13.918 13.873 13.858 13.878 13.936 14.037 14.181 14.372 14.608 14.884 15.195 15.531 15.885 16.248 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.683 35.345 31.801 28.865 26.406 24.324 22.547 21.019 19.695 18.543 17.537 16.659 15.897 15.242 14.690 13.954 13.866 13.802 13.764 13.755 13.778 13.834 13.927 14.058 14.227 14.433 14.672 14.941 15.233 15.542 15.863 99999.999 99999.999 99999.999 99999.999 99999.999 39.699 35.363 31.818 28.882 26.422 24.340 22.563 21.034 19.711 18.558 17.552 16.674 15.911 15.254 14.700 13.925 13.825 13.747 13.691 13.660 13.656 13.679 13.733 13.819 13.938 14.088 14.270 14.480 14.715 14.972 15.244 15.530 15.825 99999.999 99999.999 99999.999 39.715 35.380 31.835 28.899 26.438 24.356 22.578 21.049 19.726 18.573 17.567 16.688 15.924 15.265 14.708 13.903 13.793 13.703 13.633 13.585 13.560 13.558 13.583 13.634 13.714 13.821 13.956 14.118 14.304 14.512 14.739 14.981 15.237 15.503 99999.999 99999.999 39.731 35.397 31.853 28.916 26.454 24.371 22.593 21.064 19.740 18.588 17.581 16.702 15.937 15.276 14.714 13.885 13.768 13.669 13.587 13.525 13.483 13.462 13.464 13.488 13.537 13.610 13.708 13.830 13.975 14.141 14.326 14.529 14.746 14.976 15.217 15.468 39.746 35.414 31.869 28.932 26.470 24.387 22.608 21.079 19.755 18.602 17.596 16.716 15.949 15.286 14.720 13.872 13.748 13.641 13.550 13.477 13.421 13.385 13.368 13.371 13.396 13.442 13.509 13.599 13.709 13.839 13.989 14.155 14.337 14.533 14.740 14.959 39.884 35.570 32.026 29.084 26.617 24.529 22.747 21.214 19.889 18.735 17.727 16.844 16.070 15.393 14.803 13.856 13.701 13.556 13.422 13.298 13.184 13.080 12.985 12.901 12.825 12.759 12.703 12.656 12.617 12.588 12.568 12.557 12.554 12.560 12.573 12.595 40.004 35.707 32.165 29.220 26.749 24.656 22.869 21.334 20.006 18.851 17.843 16.959 16.182 15.500 14.901 13.919 13.753 13.597 13.450 13.311 13.180 13.058 12.943 12.835 12.735 12.641 12.555 12.474 12.400 12.332 12.269 12.212 12.161 12.114 12.073 12.037 40.108 35.831 32.290 29.343 26.867 24.770 22.980 21.441 20.111 18.955 17.946 17.061 16.283 15.599 14.996 14.000 13.830 13.669 13.516 13.371 13.234 13.104 12.981 12.865 12.755 12.651 12.554 12.461 12.374 12.292 12.215 12.142 12.074 12.010 11.950 11.894 40.200 35.943 32.405 29.456 26.976 24.875 23.081 21.539 20.207 19.049 18.039 17.154 16.376 15.690 15.086 14.083 13.911 13.748 13.592 13.445 13.304 13.171 13.045 12.925 12.810 12.702 12.599 12.502 12.409 12.322 12.238 12.159 12.084 12.013 11.946 11.882 40.282 36.046 32.511 29.560 27.078 24.972 23.175 21.630 20.295 19.135 18.124 17.238 16.460 15.774 15.169 14.163 13.990 13.826 13.669 13.520 13.378 13.244 13.115 12.993 12.877 12.767 12.662 12.562 12.467 12.376 12.290 12.208 12.130 12.056 11.985 11.918 40.357 36.141 32.611 29.658 27.172 25.064 23.263 21.715 20.377 19.215 18.202 17.316 16.537 15.851 15.246 14.239 14.065 13.900 13.743 13.594 13.451 13.315 13.186 13.063 12.946 12.835 12.729 12.627 12.531 12.439 12.352 12.269 12.189 12.114 12.041 11.973 40.425 36.231 32.704 29.751 27.262 25.150 23.346 21.795 20.454 19.291 18.276 17.388 16.609 15.923 15.318 14.310 14.136 13.971 13.813 13.663 13.521 13.385 13.255 13.132 13.014 12.902 12.795 12.693 12.597 12.504 12.416 12.332 12.252 12.176 12.103 12.034 99999.999 36.316 32.793 29.839 27.347 25.232 23.424 21.870 20.528 19.362 18.345 17.456 16.676 15.990 15.384 14.376 14.202 14.037 13.879 13.729 13.586 13.450 13.320 13.197 13.079 12.967 12.860 12.758 12.660 12.568 12.480 12.395 12.315 12.239 12.165 12.096 SmNO3+2 SmNO3+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 6 -1.000 1 -1.000 2 -1.000 6 1.000 56 1.000 32 1.000 4 92.653 84.657 77.759 71.765 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.653 84.657 77.759 71.765 66.505 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.654 84.658 77.760 71.766 66.506 61.848 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.656 84.659 77.761 71.767 66.508 61.849 57.685 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.660 84.662 77.764 71.770 66.510 61.852 57.687 53.932 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.665 84.667 77.769 71.774 66.514 61.856 57.692 53.937 50.523 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.673 84.674 77.775 71.780 66.520 61.862 57.698 53.944 50.530 47.397 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.684 84.684 77.784 71.789 66.529 61.871 57.707 53.953 50.540 47.409 44.505 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.700 84.698 77.797 71.801 66.541 61.883 57.719 53.966 50.555 47.426 44.525 41.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.720 84.716 77.814 71.817 66.557 61.898 57.736 53.984 50.574 47.447 44.551 41.833 39.240 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.747 84.739 77.836 71.838 66.577 61.919 57.757 54.006 50.598 47.475 44.584 41.876 39.298 36.781 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.781 84.770 77.864 71.865 66.604 61.945 57.784 54.035 50.629 47.509 44.625 41.928 39.369 36.887 34.337 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.807 84.793 77.885 71.885 66.624 61.966 57.805 54.056 50.653 47.536 44.656 41.967 39.422 36.963 34.461 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.844 84.825 77.916 71.915 66.652 61.994 57.834 54.087 50.686 47.573 44.699 42.021 39.494 37.066 34.625 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.881 84.858 77.946 71.943 66.680 62.022 57.863 54.117 50.718 47.609 44.741 42.072 39.561 37.160 34.774 30.937 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.917 84.889 77.975 71.971 66.708 62.050 57.891 54.147 50.750 47.644 44.781 42.121 39.624 37.248 34.909 31.118 30.288 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.952 84.921 78.004 71.999 66.735 62.077 57.919 54.176 50.781 47.678 44.820 42.168 39.684 37.329 35.032 31.218 30.435 29.627 28.706 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.987 84.952 78.033 72.026 66.762 62.104 57.946 54.204 50.811 47.711 44.858 42.213 39.740 37.404 35.144 31.312 30.543 29.773 28.985 28.136 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.021 84.982 78.061 72.053 66.788 62.130 57.973 54.232 50.841 47.744 44.895 42.256 39.794 37.474 35.246 31.399 30.639 29.885 29.130 28.362 27.557 26.688 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.054 85.012 78.089 72.080 66.814 62.156 57.999 54.260 50.870 47.775 44.930 42.298 39.844 37.539 35.338 31.480 30.727 29.983 29.244 28.506 27.757 26.986 26.178 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.088 85.041 78.116 72.106 66.840 62.181 58.025 54.287 50.899 47.806 44.965 42.337 39.892 37.599 35.422 31.555 30.809 30.073 29.345 28.621 27.899 27.170 26.429 25.665 24.875 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.120 85.070 78.143 72.132 66.865 62.206 58.050 54.313 50.927 47.836 44.998 42.376 39.937 37.655 35.497 31.626 30.885 30.155 29.435 28.723 28.015 27.309 26.601 25.885 25.157 24.416 23.662 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.152 85.099 78.170 72.157 66.890 62.231 58.076 54.339 50.954 47.866 45.031 42.413 39.980 37.707 35.565 31.693 30.957 30.233 29.519 28.814 28.117 27.425 26.736 26.047 25.356 24.659 23.956 23.249 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.184 85.127 78.196 72.183 66.914 62.255 58.100 54.365 50.981 47.895 45.063 42.448 40.021 37.756 35.627 31.757 31.025 30.305 29.597 28.899 28.210 27.528 26.852 26.180 25.510 24.841 24.171 23.501 22.832 22.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.215 85.155 78.222 72.207 66.938 62.279 58.125 54.390 51.008 47.923 45.094 42.483 40.060 37.801 35.682 31.817 31.089 30.374 29.670 28.978 28.295 27.621 26.955 26.294 25.639 24.988 24.339 23.694 23.053 22.416 21.785 99999.999 99999.999 99999.999 99999.999 99999.999 93.246 85.182 78.248 72.232 66.962 62.303 58.149 54.415 51.034 47.951 45.124 42.516 40.098 37.844 35.733 31.875 31.150 30.439 29.740 29.052 28.375 27.707 27.048 26.396 25.752 25.113 24.480 23.852 23.229 22.613 22.003 21.403 20.813 99999.999 99999.999 99999.999 93.276 85.210 78.273 72.256 66.986 62.327 58.172 54.439 51.059 47.979 45.154 42.548 40.134 37.884 35.779 31.931 31.209 30.501 29.805 29.122 28.450 27.787 27.134 26.490 25.853 25.224 24.602 23.986 23.377 22.775 22.181 21.596 21.021 20.458 99999.999 99999.999 93.306 85.236 78.298 72.280 67.009 62.350 58.196 54.463 51.084 48.005 45.183 42.580 40.168 37.923 35.823 31.984 31.265 30.560 29.868 29.188 28.520 27.863 27.215 26.576 25.946 25.325 24.711 24.104 23.506 22.915 22.332 21.759 21.195 20.643 20.103 19.577 93.335 85.263 78.322 72.303 67.032 62.372 58.219 54.487 51.109 48.032 45.211 42.611 40.202 37.960 35.864 32.035 31.319 30.617 29.928 29.252 28.587 27.934 27.291 26.657 26.033 25.417 24.810 24.211 23.620 23.038 22.464 21.900 21.345 20.801 20.269 19.749 93.609 85.509 78.553 72.524 67.247 62.585 58.433 54.706 51.338 48.273 45.468 42.887 40.502 38.286 36.221 32.469 31.772 31.089 30.422 29.768 29.128 28.501 27.886 27.282 26.689 26.107 25.536 24.974 24.422 23.879 23.345 22.820 22.304 21.797 21.299 20.809 93.850 85.729 78.759 72.721 67.439 62.775 58.624 54.900 51.537 48.481 45.688 43.122 40.752 38.555 36.511 32.808 32.122 31.452 30.797 30.156 29.530 28.917 28.317 27.729 27.152 26.587 26.033 25.489 24.954 24.430 23.914 23.408 22.910 22.421 21.940 21.466 94.065 85.927 78.946 72.900 67.613 62.947 58.795 55.074 51.715 48.666 45.881 43.325 40.968 38.785 36.756 33.089 32.411 31.749 31.102 30.471 29.854 29.250 28.660 28.082 27.516 26.962 26.419 25.886 25.364 24.851 24.348 23.853 23.368 22.891 22.422 21.961 94.259 86.107 79.116 73.064 67.773 63.104 58.952 55.232 51.876 48.831 46.053 43.505 41.158 38.986 36.969 33.329 32.657 32.001 31.361 30.736 30.126 29.529 28.946 28.376 27.818 27.271 26.736 26.211 25.697 25.193 24.699 24.213 23.737 23.269 22.809 22.357 94.436 86.272 79.273 73.215 67.919 63.249 59.096 55.376 52.023 48.982 46.209 43.667 41.327 39.164 37.156 33.539 32.871 32.220 31.585 30.965 30.360 29.769 29.192 28.627 28.075 27.534 27.005 26.487 25.979 25.481 24.993 24.515 24.045 23.584 23.131 22.686 94.599 86.425 79.418 73.354 68.056 63.383 59.229 55.510 52.158 49.120 46.351 43.814 41.481 39.324 37.325 33.725 33.061 32.414 31.783 31.167 30.567 29.980 29.407 28.846 28.299 27.763 27.238 26.725 26.222 25.730 25.247 24.773 24.309 23.853 23.406 22.966 94.750 86.567 79.553 73.485 68.183 63.508 59.354 55.635 52.284 49.248 46.481 43.949 41.620 39.470 37.477 33.892 33.231 32.587 31.960 31.348 30.750 30.167 29.597 29.041 28.497 27.965 27.444 26.935 26.436 25.947 25.468 24.999 24.539 24.087 23.644 23.209 99999.999 86.700 79.680 73.607 68.302 63.625 59.470 55.751 52.401 49.366 46.603 44.074 41.749 39.603 37.616 34.043 33.385 32.744 32.119 31.510 30.915 30.335 29.768 29.215 28.674 28.145 27.628 27.121 26.626 26.140 25.665 25.199 24.742 24.294 23.854 23.423 SmH2PO4+2 SmH2PO4+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 3 1.000 1 1.000 27 1.000 56 -9.829 -9.448 -9.311 -9.319 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.829 -9.448 -9.311 -9.319 -9.429 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.828 -9.448 -9.310 -9.318 -9.428 -9.618 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.827 -9.446 -9.309 -9.317 -9.427 -9.617 -9.874 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.825 -9.444 -9.306 -9.314 -9.425 -9.614 -9.871 -10.189 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.821 -9.441 -9.303 -9.311 -9.421 -9.610 -9.867 -10.184 -10.560 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-9.976 -10.250 -10.809 -10.923 -11.036 -11.151 -11.266 -11.381 -11.497 -11.613 -11.729 -11.847 -11.964 -12.083 -12.201 -12.321 -12.440 -12.561 -12.682 -12.804 -12.926 -13.050 -13.174 99999.999 -8.011 -7.838 -7.816 -7.883 -8.010 -8.177 -8.373 -8.588 -8.818 -9.059 -9.308 -9.562 -9.822 -10.085 -10.621 -10.729 -10.838 -10.948 -11.057 -11.167 -11.278 -11.388 -11.500 -11.611 -11.723 -11.836 -11.949 -12.063 -12.177 -12.292 -12.407 -12.523 -12.639 -12.756 -12.874 Eu+2 Eu(+2) P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 5 -1.125 1 -0.125 4 1.000 57 0.125 6 0.500 2 11.881 10.149 8.667 7.387 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.881 10.149 8.667 7.387 6.269 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.881 10.149 8.668 7.388 6.269 5.281 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.904 10.173 8.691 7.411 6.292 5.304 4.422 3.627 2.905 2.242 1.626 1.050 0.511 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.913 10.182 8.701 7.420 6.302 5.313 4.432 3.637 2.915 2.253 1.639 1.064 0.525 0.046 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.925 10.195 8.713 7.432 6.313 5.325 4.444 3.650 2.928 2.267 1.654 1.082 0.545 0.053 -0.287 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.934 10.204 8.722 7.442 6.323 5.334 4.453 3.659 2.938 2.277 1.666 1.096 0.562 0.065 -0.364 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.947 10.218 8.736 7.455 6.336 5.347 4.466 3.673 2.952 2.292 1.683 1.116 0.585 0.088 -0.384 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.960 10.231 8.749 7.468 6.348 5.360 4.479 3.686 2.966 2.307 1.700 1.135 0.608 0.114 -0.367 2.047 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.973 10.245 8.762 7.481 6.361 5.373 4.492 3.699 2.980 2.322 1.716 1.154 0.631 0.142 -0.337 0.202 0.953 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.986 10.258 8.775 7.494 6.374 5.385 4.505 3.712 2.993 2.336 1.731 1.172 0.652 0.169 -0.301 -0.243 -0.005 0.461 1.179 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.998 10.271 8.788 7.506 6.386 5.398 4.517 3.725 3.006 2.350 1.746 1.189 0.673 0.195 -0.265 -0.445 -0.367 -0.186 0.133 0.594 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.010 10.284 8.801 7.519 6.398 5.410 4.529 3.737 3.019 2.364 1.761 1.206 0.693 0.219 -0.231 -0.559 -0.554 -0.491 -0.352 -0.123 0.196 0.574 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.022 10.296 8.813 7.531 6.411 5.422 4.541 3.750 3.032 2.377 1.776 1.222 0.712 0.242 -0.198 -0.630 -0.666 -0.664 -0.615 -0.509 -0.339 -0.108 0.165 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.034 10.309 8.826 7.543 6.422 5.434 4.553 3.762 3.045 2.390 1.790 1.238 0.730 0.264 -0.169 -0.676 -0.738 -0.772 -0.775 -0.738 -0.657 -0.530 -0.359 -0.156 0.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.046 10.321 8.838 7.555 6.434 5.446 4.565 3.774 3.057 2.403 1.804 1.253 0.747 0.283 -0.144 -0.708 -0.786 -0.845 -0.879 -0.886 -0.860 -0.800 -0.704 -0.576 -0.422 -0.252 -0.077 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.058 10.333 8.850 7.567 6.446 5.457 4.577 3.786 3.069 2.416 1.817 1.267 0.762 0.301 -0.121 -0.729 -0.820 -0.894 -0.950 -0.985 -0.996 -0.981 -0.937 -0.865 -0.768 -0.650 -0.518 -0.377 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.069 10.346 8.862 7.579 6.458 5.469 4.588 3.797 3.081 2.428 1.830 1.281 0.777 0.317 -0.102 -0.743 -0.843 -0.929 -1.001 -1.056 -1.091 -1.107 -1.099 -1.069 -1.016 -0.943 -0.852 -0.748 -0.635 -0.515 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.080 10.358 8.874 7.591 6.469 5.480 4.600 3.809 3.093 2.441 1.843 1.295 0.791 0.332 -0.085 -0.752 -0.858 -0.954 -1.037 -1.106 -1.160 -1.197 -1.216 -1.216 -1.197 -1.159 -1.105 -1.035 -0.953 -0.861 -0.762 99999.999 99999.999 99999.999 99999.999 99999.999 12.092 10.369 8.886 7.602 6.481 5.491 4.611 3.820 3.105 2.453 1.856 1.308 0.805 0.345 -0.071 -0.756 -0.869 -0.971 -1.063 -1.143 -1.210 -1.263 -1.302 -1.324 -1.331 -1.321 -1.296 -1.256 -1.202 -1.138 -1.063 -0.981 -0.893 99999.999 99999.999 99999.999 12.103 10.381 8.898 7.614 6.492 5.502 4.622 3.832 3.116 2.465 1.868 1.320 0.818 0.358 -0.059 -0.758 -0.875 -0.983 -1.081 -1.169 -1.247 -1.312 -1.365 -1.405 -1.432 -1.444 -1.442 -1.426 -1.398 -1.358 -1.307 -1.248 -1.180 -1.105 99999.999 99999.999 12.114 10.393 8.909 7.625 6.503 5.513 4.633 3.843 3.128 2.476 1.880 1.333 0.830 0.370 -0.048 -0.758 -0.878 -0.990 -1.094 -1.189 -1.274 -1.349 -1.414 -1.467 -1.508 -1.537 -1.554 -1.559 -1.551 -1.533 -1.504 -1.465 -1.418 -1.362 -1.299 -1.230 12.125 10.404 8.921 7.636 6.514 5.524 4.644 3.854 3.139 2.488 1.892 1.345 0.842 0.382 -0.038 -0.756 -0.879 -0.994 -1.102 -1.202 -1.294 -1.377 -1.450 -1.514 -1.567 -1.610 -1.642 -1.663 -1.673 -1.672 -1.662 -1.642 -1.613 -1.576 -1.531 -1.479 12.228 10.515 9.031 7.744 6.620 5.628 4.747 3.958 3.244 2.596 2.003 1.459 0.958 0.495 0.069 -0.684 -0.820 -0.952 -1.078 -1.201 -1.318 -1.432 -1.540 -1.645 -1.745 -1.841 -1.933 -2.020 -2.103 -2.181 -2.255 -2.325 -2.390 -2.451 -2.507 -2.560 12.322 10.617 9.133 7.844 6.718 5.724 4.842 4.052 3.340 2.694 2.103 1.561 1.062 0.601 0.175 -0.587 -0.726 -0.861 -0.992 -1.120 -1.243 -1.364 -1.480 -1.594 -1.704 -1.811 -1.915 -2.017 -2.115 -2.210 -2.303 -2.393 -2.481 -2.566 -2.649 -2.730 12.409 10.713 9.229 7.939 6.810 5.815 4.931 4.140 3.428 2.783 2.194 1.654 1.157 0.698 0.272 -0.490 -0.629 -0.765 -0.898 -1.026 -1.152 -1.274 -1.393 -1.509 -1.622 -1.732 -1.840 -1.945 -2.048 -2.148 -2.247 -2.343 -2.437 -2.529 -2.619 -2.708 12.491 10.803 9.320 8.028 6.897 5.900 5.014 4.223 3.510 2.865 2.277 1.739 1.244 0.787 0.363 -0.397 -0.537 -0.673 -0.805 -0.934 -1.059 -1.182 -1.301 -1.418 -1.532 -1.643 -1.752 -1.858 -1.962 -2.064 -2.164 -2.261 -2.357 -2.451 -2.544 -2.635 12.568 10.890 9.408 8.114 6.980 5.981 5.094 4.301 3.588 2.943 2.355 1.818 1.324 0.869 0.447 -0.311 -0.450 -0.585 -0.717 -0.846 -0.971 -1.094 -1.213 -1.329 -1.443 -1.554 -1.663 -1.769 -1.873 -1.975 -2.075 -2.173 -2.270 -2.364 -2.457 -2.548 12.641 10.973 9.492 8.196 7.061 6.059 5.170 4.376 3.662 3.016 2.429 1.892 1.399 0.945 0.524 -0.230 -0.369 -0.504 -0.635 -0.763 -0.888 -1.010 -1.129 -1.245 -1.359 -1.469 -1.578 -1.684 -1.788 -1.889 -1.989 -2.087 -2.183 -2.277 -2.369 -2.460 12.712 11.054 9.573 8.276 7.138 6.135 5.244 4.448 3.733 3.086 2.499 1.962 1.470 1.017 0.597 -0.155 -0.293 -0.427 -0.558 -0.686 -0.811 -0.932 -1.050 -1.166 -1.279 -1.389 -1.497 -1.603 -1.706 -1.808 -1.907 -2.004 -2.099 -2.193 -2.285 -2.376 99999.999 11.132 9.652 8.353 7.214 6.208 5.315 4.518 3.801 3.154 2.566 2.029 1.537 1.084 0.666 -0.084 -0.222 -0.356 -0.486 -0.614 -0.738 -0.858 -0.976 -1.092 -1.204 -1.314 -1.422 -1.527 -1.630 -1.730 -1.829 -1.926 -2.021 -2.114 -2.206 -2.296 Eu+4 Eu(+4) P-T:All Charge = 4. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 5 1.125 1 0.125 4 1.000 57 -0.125 6 -0.500 2 108.396 100.096 93.004 86.882 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 108.396 100.096 93.004 86.882 81.544 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 108.395 100.096 93.004 86.882 81.544 76.849 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 108.395 100.095 93.004 86.882 81.544 76.849 72.688 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 108.395 100.095 93.004 86.882 81.543 76.848 72.687 68.976 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 108.395 100.095 93.003 86.881 81.543 76.848 72.687 68.975 65.644 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 108.395 100.094 93.003 86.880 81.542 76.847 72.686 68.974 65.643 62.639 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 108.394 100.094 93.002 86.879 81.541 76.845 72.684 68.972 65.640 62.636 59.917 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 108.394 100.093 93.001 86.878 81.539 76.843 72.682 68.969 65.637 62.632 59.912 57.440 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 108.393 100.092 92.999 86.876 81.537 76.841 72.679 68.965 65.633 62.627 59.906 57.432 55.167 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 108.392 100.090 92.997 86.874 81.535 76.838 72.675 68.961 65.628 62.621 59.897 57.422 55.157 53.033 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 108.390 100.088 92.995 86.871 81.531 76.834 72.670 68.955 65.621 62.612 59.887 57.409 55.143 53.041 50.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 108.389 100.086 92.993 86.869 81.529 76.831 72.667 68.951 65.616 62.606 59.879 57.398 55.130 53.036 51.033 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 108.388 100.084 92.991 86.866 81.525 76.827 72.662 68.945 65.608 62.597 59.868 57.384 55.112 53.020 51.084 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 108.387 100.082 92.988 86.863 81.522 76.823 72.657 68.939 65.601 62.589 59.857 57.370 55.093 52.999 51.082 42.909 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 108.386 100.080 92.986 86.860 81.519 76.819 72.652 68.934 65.595 62.581 59.847 57.356 55.075 52.976 51.059 45.662 43.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 108.385 100.079 92.983 86.858 81.515 76.815 72.648 68.928 65.588 62.573 59.837 57.343 55.057 52.953 51.028 46.322 45.117 43.592 41.683 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 108.384 100.077 92.981 86.855 81.512 76.811 72.643 68.923 65.582 62.565 59.827 57.330 55.041 52.930 50.994 46.628 45.659 44.559 43.271 41.776 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 108.383 100.075 92.979 86.852 81.509 76.808 72.639 68.918 65.576 62.558 59.818 57.319 55.025 52.909 50.961 46.806 45.943 45.018 44.001 42.865 41.606 40.261 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 108.382 100.073 92.977 86.850 81.506 76.804 72.635 68.913 65.570 62.550 59.809 57.307 55.011 52.890 50.931 46.922 46.118 45.283 44.398 43.449 42.421 41.315 40.152 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 108.381 100.072 92.974 86.847 81.503 76.801 72.631 68.908 65.564 62.543 59.801 57.297 54.997 52.873 50.905 47.002 46.236 45.453 44.644 43.799 42.906 41.960 40.963 39.927 38.873 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 108.380 100.070 92.972 86.845 81.500 76.797 72.627 68.903 65.558 62.537 59.793 57.287 54.985 52.857 50.882 47.059 46.319 45.571 44.809 44.027 43.217 42.373 41.492 40.577 39.635 38.679 37.722 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 108.380 100.069 92.970 86.842 81.497 76.794 72.623 68.898 65.552 62.530 59.785 57.278 54.974 52.844 50.863 47.102 46.379 45.655 44.926 44.185 43.429 42.652 41.851 41.024 40.173 39.303 38.423 37.540 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 108.379 100.067 92.968 86.840 81.495 76.791 72.619 68.894 65.547 62.524 59.778 57.269 54.964 52.833 50.848 47.134 46.424 45.718 45.011 44.300 43.581 42.850 42.104 41.340 40.558 39.760 38.948 38.128 37.305 36.483 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 108.379 100.066 92.967 86.838 81.492 76.788 72.615 68.889 65.542 62.518 59.771 57.261 54.955 52.823 50.837 47.158 46.459 45.765 45.075 44.385 43.693 42.995 42.288 41.570 40.840 40.097 39.343 38.579 37.809 37.036 36.263 99999.999 99999.999 99999.999 99999.999 99999.999 108.378 100.064 92.965 86.835 81.489 76.784 72.612 68.885 65.537 62.512 59.764 57.254 54.947 52.814 50.828 47.177 46.485 45.802 45.124 44.450 43.778 43.103 42.426 41.742 41.050 40.351 39.642 38.925 38.202 37.474 36.744 36.013 35.283 99999.999 99999.999 99999.999 108.378 100.063 92.963 86.833 81.487 76.781 72.608 68.881 65.532 62.506 59.757 57.246 54.940 52.807 50.822 47.190 46.505 45.830 45.162 44.501 43.843 43.187 42.531 41.873 41.211 40.544 39.872 39.194 38.510 37.822 37.131 36.437 35.743 35.049 99999.999 99999.999 108.377 100.062 92.961 86.831 81.484 76.779 72.604 68.877 65.527 62.500 59.750 57.239 54.932 52.801 50.817 47.201 46.521 45.852 45.192 44.540 43.894 43.253 42.613 41.975 41.336 40.695 40.051 39.404 38.753 38.098 37.441 36.782 36.121 35.460 34.798 34.137 108.377 100.061 92.960 86.829 81.482 76.776 72.601 68.873 65.522 62.494 59.744 57.232 54.925 52.794 50.813 47.208 46.533 45.869 45.216 44.572 43.935 43.304 42.678 42.055 41.434 40.814 40.192 39.570 38.946 38.319 37.691 37.062 36.431 35.799 35.167 34.536 108.377 100.051 92.945 86.811 81.460 76.750 72.571 68.837 65.480 62.445 59.688 57.170 54.860 52.730 50.757 47.205 46.549 45.908 45.282 44.671 44.073 43.488 42.915 42.353 41.802 41.260 40.728 40.205 39.690 39.183 38.683 38.190 37.703 37.222 36.747 36.277 108.381 100.045 92.934 86.796 81.443 76.729 72.546 68.808 65.446 62.405 59.641 57.118 54.803 52.670 50.696 47.154 46.502 45.867 45.248 44.644 44.055 43.480 42.919 42.370 41.834 41.310 40.797 40.294 39.803 39.321 38.850 38.387 37.934 37.489 37.052 36.624 108.388 100.042 92.926 86.785 81.428 76.712 72.526 68.784 65.417 62.372 59.603 57.074 54.753 52.616 50.640 47.096 46.445 45.811 45.193 44.591 44.005 43.432 42.874 42.329 41.797 41.278 40.770 40.274 39.789 39.315 38.852 38.398 37.954 37.520 37.095 36.678 108.398 100.041 92.920 86.776 81.416 76.697 72.509 68.764 65.394 62.344 59.571 57.036 54.711 52.570 50.589 47.041 46.389 45.754 45.136 44.534 43.948 43.376 42.818 42.274 41.743 41.225 40.718 40.224 39.741 39.269 38.808 38.357 37.916 37.484 37.062 36.649 108.409 100.042 92.916 86.768 81.406 76.685 72.494 68.746 65.373 62.320 59.543 57.005 54.675 52.529 50.545 46.990 46.337 45.701 45.082 44.480 43.892 43.320 42.762 42.217 41.686 41.167 40.661 40.167 39.684 39.212 38.751 38.300 37.859 37.428 37.007 36.595 108.422 100.044 92.913 86.762 81.398 76.674 72.481 68.731 65.355 62.300 59.519 56.977 54.644 52.494 50.506 46.944 46.289 45.653 45.033 44.429 43.841 43.267 42.708 42.163 41.631 41.111 40.604 40.109 39.626 39.153 38.692 38.240 37.799 37.368 36.946 36.533 108.436 100.047 92.911 86.758 81.391 76.665 72.470 68.718 65.340 62.282 59.498 56.954 54.617 52.463 50.471 46.903 46.247 45.609 44.988 44.383 43.794 43.219 42.659 42.113 41.580 41.060 40.552 40.056 39.571 39.098 38.635 38.183 37.741 37.309 36.886 36.473 99999.999 100.051 92.911 86.754 81.385 76.657 72.460 68.706 65.326 62.266 59.480 56.933 54.593 52.437 50.441 46.866 46.210 45.570 44.948 44.342 43.752 43.176 42.615 42.067 41.533 41.012 40.503 40.006 39.521 39.046 38.583 38.130 37.687 37.254 36.830 36.416 EuCO3+ EuCO3+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 3 -1.000 1 1.000 5 1.000 57 2.324 2.406 2.501 2.602 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.324 2.406 2.501 2.602 2.701 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.324 2.406 2.501 2.602 2.701 2.793 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.323 2.405 2.501 2.602 2.701 2.793 2.873 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.323 2.405 2.501 2.602 2.701 2.793 2.873 2.936 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.323 2.404 2.500 2.601 2.701 2.793 2.874 2.937 2.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.322 2.403 2.499 2.600 2.700 2.793 2.874 2.938 2.980 2.993 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.321 2.402 2.498 2.599 2.700 2.793 2.875 2.940 2.983 2.997 2.969 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.319 2.400 2.496 2.598 2.699 2.793 2.875 2.942 2.987 3.003 2.979 2.895 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.317 2.397 2.493 2.595 2.697 2.792 2.876 2.944 2.991 3.011 2.992 2.916 2.752 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.314 2.393 2.489 2.592 2.695 2.792 2.877 2.947 2.997 3.021 3.008 2.942 2.797 2.510 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.310 2.388 2.484 2.588 2.692 2.791 2.878 2.951 3.004 3.033 3.027 2.974 2.850 2.607 2.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.306 2.383 2.480 2.585 2.690 2.790 2.879 2.954 3.010 3.041 3.041 2.996 2.887 2.673 2.217 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.301 2.377 2.474 2.580 2.687 2.788 2.879 2.957 3.016 3.053 3.060 3.027 2.937 2.758 2.388 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.295 2.370 2.468 2.575 2.683 2.786 2.880 2.960 3.023 3.064 3.078 3.055 2.982 2.834 2.529 1.146 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.289 2.364 2.462 2.570 2.679 2.784 2.880 2.962 3.029 3.074 3.094 3.081 3.024 2.901 2.650 2.158 1.627 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.283 2.356 2.455 2.564 2.675 2.781 2.879 2.964 3.034 3.084 3.109 3.105 3.061 2.961 2.755 2.428 2.184 1.786 1.099 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.276 2.349 2.449 2.559 2.671 2.779 2.878 2.966 3.039 3.092 3.123 3.127 3.096 3.016 2.848 2.591 2.429 2.204 1.876 1.382 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.269 2.342 2.442 2.553 2.666 2.776 2.877 2.968 3.043 3.100 3.137 3.147 3.127 3.065 2.930 2.712 2.590 2.432 2.224 1.939 1.548 1.023 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.262 2.334 2.434 2.547 2.661 2.772 2.876 2.969 3.047 3.108 3.149 3.166 3.156 3.108 3.002 2.809 2.711 2.590 2.438 2.243 1.990 1.663 1.248 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.254 2.326 2.427 2.540 2.656 2.769 2.875 2.969 3.050 3.115 3.160 3.184 3.182 3.148 3.065 2.891 2.810 2.712 2.593 2.446 2.263 2.036 1.754 1.411 1.006 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.247 2.317 2.419 2.534 2.651 2.765 2.873 2.970 3.053 3.121 3.170 3.200 3.206 3.183 3.120 2.962 2.894 2.813 2.716 2.598 2.457 2.286 2.079 1.832 1.540 1.205 0.831 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.238 2.309 2.412 2.527 2.646 2.762 2.871 2.970 3.056 3.127 3.180 3.214 3.227 3.215 3.169 3.026 2.968 2.899 2.817 2.721 2.606 2.470 2.310 2.121 1.902 1.649 1.365 1.054 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.230 2.300 2.404 2.520 2.640 2.758 2.869 2.970 3.058 3.132 3.189 3.228 3.247 3.244 3.211 3.083 3.033 2.974 2.905 2.823 2.728 2.617 2.487 2.337 2.164 1.967 1.746 1.501 1.237 0.957 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.222 2.292 2.396 2.513 2.634 2.753 2.866 2.969 3.060 3.137 3.197 3.241 3.265 3.269 3.248 3.135 3.092 3.041 2.982 2.912 2.831 2.738 2.630 2.506 2.366 2.207 2.029 1.834 1.621 1.394 1.156 99999.999 99999.999 99999.999 99999.999 99999.999 2.213 2.283 2.387 2.506 2.628 2.749 2.863 2.969 3.062 3.141 3.205 3.252 3.282 3.292 3.280 3.182 3.145 3.102 3.050 2.990 2.921 2.841 2.750 2.646 2.529 2.397 2.251 2.090 1.916 1.729 1.533 1.328 1.118 99999.999 99999.999 99999.999 2.204 2.273 2.379 2.499 2.622 2.744 2.861 2.968 3.063 3.145 3.212 3.263 3.297 3.313 3.309 3.226 3.194 3.157 3.112 3.060 3.000 2.931 2.853 2.764 2.665 2.554 2.431 2.297 2.151 1.995 1.830 1.658 1.480 1.300 99999.999 99999.999 2.194 2.264 2.370 2.491 2.616 2.740 2.858 2.967 3.064 3.149 3.219 3.273 3.312 3.332 3.334 3.267 3.240 3.207 3.169 3.123 3.071 3.012 2.944 2.867 2.781 2.686 2.582 2.467 2.343 2.211 2.071 1.924 1.772 1.618 1.462 1.306 2.185 2.255 2.362 2.484 2.610 2.735 2.854 2.965 3.065 3.152 3.225 3.283 3.325 3.350 3.357 3.305 3.282 3.254 3.221 3.181 3.136 3.084 3.025 2.958 2.884 2.801 2.710 2.612 2.505 2.391 2.271 2.144 2.013 1.880 1.744 1.608 2.077 2.150 2.267 2.400 2.539 2.678 2.812 2.940 3.060 3.169 3.266 3.352 3.425 3.486 3.534 3.588 3.591 3.592 3.590 3.585 3.578 3.567 3.554 3.537 3.517 3.494 3.468 3.439 3.407 3.372 3.334 3.294 3.252 3.207 3.161 3.113 1.952 2.033 2.160 2.305 2.457 2.608 2.757 2.900 3.035 3.162 3.279 3.387 3.483 3.569 3.645 3.765 3.783 3.800 3.815 3.828 3.839 3.848 3.855 3.859 3.862 3.863 3.862 3.859 3.853 3.846 3.837 3.826 3.813 3.798 3.782 3.765 1.812 1.904 2.044 2.201 2.365 2.530 2.691 2.847 2.997 3.139 3.273 3.398 3.513 3.620 3.717 3.884 3.914 3.941 3.967 3.992 4.015 4.036 4.056 4.074 4.091 4.106 4.119 4.131 4.141 4.150 4.157 4.162 4.166 4.169 4.170 4.170 1.661 1.766 1.920 2.090 2.267 2.443 2.617 2.786 2.948 3.104 3.252 3.392 3.523 3.646 3.761 3.967 4.004 4.040 4.074 4.107 4.139 4.170 4.199 4.227 4.253 4.278 4.302 4.324 4.345 4.365 4.383 4.399 4.415 4.429 4.442 4.453 1.500 1.621 1.789 1.973 2.162 2.351 2.536 2.716 2.891 3.059 3.219 3.372 3.518 3.655 3.785 4.022 4.066 4.108 4.150 4.190 4.229 4.266 4.303 4.338 4.372 4.405 4.436 4.466 4.495 4.523 4.549 4.575 4.599 4.621 4.643 4.663 1.332 1.470 1.653 1.850 2.052 2.253 2.450 2.641 2.827 3.006 3.178 3.343 3.501 3.651 3.794 4.058 4.107 4.155 4.202 4.248 4.293 4.336 4.379 4.420 4.460 4.499 4.537 4.573 4.608 4.643 4.676 4.707 4.738 4.767 4.795 4.822 1.158 1.315 1.512 1.723 1.938 2.150 2.358 2.561 2.757 2.946 3.129 3.305 3.474 3.635 3.790 4.078 4.132 4.185 4.237 4.288 4.337 4.386 4.433 4.480 4.525 4.569 4.612 4.653 4.694 4.733 4.772 4.809 4.845 4.879 4.913 4.945 99999.999 1.155 1.367 1.592 1.820 2.044 2.263 2.476 2.682 2.882 3.074 3.260 3.439 3.611 3.776 4.085 4.143 4.201 4.257 4.312 4.366 4.419 4.471 4.522 4.571 4.620 4.667 4.713 4.758 4.802 4.845 4.886 4.927 4.966 5.004 5.041 EuHCO3+2 EuHCO3+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 2 1.000 5 1.000 57 -1.570 -1.626 -1.792 -2.015 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.570 -1.626 -1.792 -2.015 -2.272 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.570 -1.626 -1.792 -2.014 -2.271 -2.553 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.570 -1.625 -1.792 -2.014 -2.271 -2.553 -2.855 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.569 -1.625 -1.792 -2.014 -2.271 -2.552 -2.854 -3.176 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.568 -1.625 -1.791 -2.013 -2.270 -2.551 -2.853 -3.174 -3.515 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.567 -1.624 -1.790 -2.012 -2.269 -2.550 -2.851 -3.172 -3.512 -3.877 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.566 -1.623 -1.789 -2.011 -2.267 -2.548 -2.849 -3.169 -3.508 -3.871 -4.267 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.564 -1.621 -1.788 -2.009 -2.265 -2.545 -2.845 -3.164 -3.502 -3.863 -4.255 -4.694 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.561 -1.619 -1.786 -2.007 -2.263 -2.542 -2.841 -3.158 -3.494 -3.852 -4.241 -4.672 -5.168 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.557 -1.617 -1.783 -2.005 -2.259 -2.537 -2.835 -3.151 -3.484 -3.839 -4.222 -4.645 -5.127 -5.697 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.553 -1.614 -1.780 -2.001 -2.255 -2.532 -2.828 -3.141 -3.472 -3.823 -4.199 -4.612 -5.076 -5.620 -6.319 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-6.396 -6.538 -6.680 -6.824 -6.967 -7.111 -7.256 -7.401 -7.546 -7.692 -7.839 -7.985 -8.130 -8.273 -8.411 99999.999 99999.999 99999.999 -1.530 -1.602 -1.766 -1.978 -2.219 -2.478 -2.752 -3.036 -3.331 -3.635 -3.948 -4.268 -4.594 -4.925 -5.261 -5.941 -6.080 -6.219 -6.359 -6.500 -6.641 -6.783 -6.925 -7.068 -7.211 -7.354 -7.498 -7.641 -7.784 -7.926 -8.066 -8.204 -8.338 -8.466 99999.999 99999.999 -1.531 -1.603 -1.767 -1.978 -2.218 -2.477 -2.749 -3.032 -3.325 -3.627 -3.937 -4.254 -4.577 -4.904 -5.236 -5.910 -6.047 -6.185 -6.323 -6.462 -6.602 -6.743 -6.884 -7.025 -7.167 -7.309 -7.451 -7.592 -7.733 -7.872 -8.010 -8.145 -8.276 -8.403 -8.523 -8.637 -1.533 -1.604 -1.768 -1.979 -2.218 -2.475 -2.746 -3.028 -3.319 -3.618 -3.926 -4.240 -4.560 -4.885 -5.213 -5.880 -6.015 -6.151 -6.288 -6.426 -6.564 -6.703 -6.843 -6.983 -7.123 -7.264 -7.404 -7.544 -7.683 -7.821 -7.957 -8.091 -8.221 -8.347 -8.467 -8.582 -1.560 -1.630 -1.788 -1.992 -2.222 -2.470 -2.729 -2.997 -3.272 -3.553 -3.839 -4.131 -4.426 -4.724 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Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 3 -1.000 1 1.000 2 1.000 57 9.204 7.907 6.824 5.909 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.204 7.907 6.824 5.909 5.125 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.204 7.908 6.825 5.910 5.126 4.447 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 9.243 7.947 6.863 5.946 5.162 4.482 3.886 3.358 2.884 2.453 2.056 1.681 1.328 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.259 7.963 6.879 5.962 5.177 4.497 3.901 3.372 2.899 2.469 2.072 1.700 1.348 1.033 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.279 7.984 6.899 5.981 5.195 4.515 3.919 3.390 2.917 2.488 2.093 1.724 1.375 1.051 0.835 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.294 7.999 6.914 5.996 5.209 4.529 3.933 3.404 2.931 2.503 2.109 1.742 1.396 1.070 0.780 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.316 8.022 6.936 6.017 5.230 4.549 3.952 3.424 2.951 2.523 2.131 1.768 1.426 1.103 0.781 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.337 8.044 6.957 6.037 5.250 4.568 3.972 3.443 2.971 2.544 2.153 1.792 1.455 1.137 0.811 3.151 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.359 8.065 6.978 6.058 5.270 4.588 3.991 3.462 2.990 2.564 2.175 1.817 1.484 1.171 0.853 1.558 2.248 99999.999 99999.999 99999.999 99999.999 99999.999 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5.346 4.662 4.064 3.536 3.064 2.640 2.255 1.905 1.587 1.296 1.021 0.869 0.877 0.917 0.997 1.125 1.306 1.536 1.799 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.460 8.170 7.080 6.156 5.365 4.680 4.082 3.553 3.082 2.658 2.274 1.926 1.609 1.322 1.057 0.836 0.823 0.832 0.867 0.936 1.041 1.185 1.363 1.567 1.781 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.480 8.190 7.100 6.175 5.383 4.698 4.099 3.571 3.099 2.676 2.293 1.945 1.631 1.347 1.088 0.816 0.788 0.777 0.785 0.817 0.875 0.961 1.078 1.220 1.382 1.555 1.730 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.499 8.210 7.119 6.194 5.401 4.716 4.117 3.588 3.117 2.693 2.311 1.964 1.651 1.370 1.116 0.805 0.767 0.741 0.731 0.738 0.765 0.814 0.886 0.981 1.097 1.228 1.371 1.519 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.518 8.229 7.138 6.212 5.419 4.733 4.134 3.605 3.134 2.711 2.329 1.983 1.671 1.391 1.141 0.800 0.754 0.718 0.695 0.685 0.691 0.714 0.755 0.815 0.893 0.988 1.097 1.216 1.342 1.472 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.537 8.249 7.157 6.231 5.437 4.750 4.151 3.621 3.150 2.728 2.346 2.001 1.689 1.410 1.162 0.799 0.747 0.704 0.671 0.649 0.640 0.644 0.663 0.697 0.747 0.812 0.891 0.982 1.083 1.191 1.305 99999.999 99999.999 99999.999 99999.999 99999.999 9.556 8.268 7.176 6.249 5.454 4.767 4.167 3.638 3.167 2.744 2.363 2.018 1.707 1.428 1.181 0.802 0.745 0.696 0.656 0.625 0.604 0.594 0.596 0.612 0.640 0.682 0.736 0.802 0.879 0.965 1.059 1.160 1.266 99999.999 99999.999 99999.999 9.574 8.287 7.195 6.267 5.472 4.784 4.184 3.654 3.183 2.761 2.380 2.035 1.724 1.445 1.198 0.807 0.746 0.693 0.646 0.608 0.579 0.559 0.549 0.549 0.561 0.585 0.619 0.665 0.721 0.787 0.861 0.943 1.032 1.127 99999.999 99999.999 9.592 8.306 7.213 6.284 5.489 4.801 4.200 3.670 3.199 2.777 2.396 2.052 1.741 1.462 1.213 0.813 0.750 0.693 0.642 0.598 0.562 0.534 0.514 0.504 0.503 0.512 0.530 0.559 0.598 0.646 0.702 0.766 0.838 0.917 1.002 1.093 9.610 8.324 7.231 6.302 5.506 4.817 4.216 3.686 3.215 2.793 2.412 2.068 1.757 1.477 1.228 0.821 0.755 0.695 0.641 0.593 0.551 0.517 0.490 0.470 0.459 0.457 0.463 0.478 0.502 0.534 0.575 0.623 0.679 0.743 0.812 0.888 9.779 8.501 7.404 6.469 5.667 4.973 4.368 3.836 3.364 2.943 2.563 2.221 1.910 1.629 1.374 0.937 0.860 0.787 0.718 0.651 0.588 0.528 0.471 0.418 0.367 0.320 0.276 0.235 0.198 0.164 0.133 0.105 0.081 0.060 0.043 0.029 9.933 8.662 7.563 6.623 5.815 5.116 4.508 3.973 3.499 3.077 2.698 2.357 2.047 1.766 1.510 1.067 0.988 0.912 0.838 0.768 0.700 0.634 0.571 0.510 0.452 0.395 0.341 0.289 0.238 0.190 0.143 0.099 0.056 0.014 -0.025 -0.063 10.074 8.813 7.711 6.766 5.953 5.250 4.637 4.099 3.623 3.200 2.821 2.480 2.171 1.891 1.636 1.191 1.112 1.035 0.961 0.889 0.819 0.752 0.688 0.625 0.564 0.505 0.448 0.392 0.339 0.286 0.235 0.186 0.138 0.091 0.045 0.001 10.206 8.954 7.851 6.901 6.083 5.375 4.758 4.216 3.738 3.314 2.934 2.593 2.285 2.005 1.751 1.308 1.228 1.151 1.077 1.005 0.935 0.868 0.802 0.739 0.678 0.618 0.561 0.504 0.450 0.396 0.344 0.294 0.244 0.196 0.149 0.102 10.330 9.088 7.984 7.030 6.207 5.494 4.873 4.328 3.847 3.421 3.040 2.698 2.390 2.111 1.858 1.415 1.336 1.259 1.185 1.113 1.044 0.977 0.911 0.848 0.787 0.727 0.670 0.613 0.559 0.505 0.453 0.403 0.353 0.305 0.257 0.211 10.447 9.216 8.110 7.153 6.325 5.608 4.982 4.434 3.950 3.522 3.140 2.797 2.489 2.210 1.957 1.516 1.437 1.360 1.286 1.215 1.146 1.079 1.014 0.951 0.890 0.830 0.773 0.717 0.662 0.609 0.558 0.507 0.458 0.410 0.363 0.317 10.560 9.339 8.232 7.271 6.439 5.717 5.088 4.536 4.049 3.618 3.234 2.891 2.582 2.303 2.050 1.610 1.531 1.455 1.381 1.310 1.241 1.174 1.109 1.047 0.986 0.927 0.870 0.814 0.760 0.707 0.656 0.606 0.557 0.509 0.462 0.417 99999.999 9.458 8.350 7.385 6.549 5.823 5.189 4.634 4.144 3.711 3.325 2.980 2.670 2.391 2.138 1.698 1.619 1.543 1.470 1.399 1.330 1.263 1.199 1.137 1.076 1.017 0.960 0.905 0.851 0.799 0.748 0.698 0.650 0.602 0.556 0.511 EuO+ EuO+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 3 -2.000 1 1.000 2 1.000 57 18.759 16.337 14.363 12.725 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.759 16.337 14.363 12.725 11.345 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.760 16.338 14.363 12.725 11.346 10.169 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.761 16.339 14.365 12.726 11.347 10.170 9.152 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.763 16.341 14.367 12.729 11.349 10.172 9.154 8.263 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.767 16.345 14.370 12.732 11.352 10.175 9.157 8.267 7.478 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.772 16.350 14.375 12.737 11.357 10.180 9.162 8.272 7.484 6.775 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.779 16.357 14.382 12.744 11.364 10.187 9.170 8.279 7.491 6.783 6.135 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.789 16.367 14.392 12.754 11.374 10.197 9.179 8.290 7.502 6.795 6.148 5.543 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.803 16.381 14.406 12.767 11.387 10.209 9.192 8.303 7.516 6.810 6.166 5.564 4.996 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.820 16.398 14.423 12.783 11.403 10.226 9.209 8.320 7.535 6.830 6.188 5.591 5.027 4.514 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.842 16.421 14.445 12.805 11.424 10.247 9.231 8.343 7.558 6.856 6.217 5.625 5.068 4.546 4.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.859 16.438 14.462 12.821 11.441 10.263 9.247 8.360 7.576 6.875 6.239 5.652 5.100 4.578 4.097 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.883 16.463 14.486 12.845 11.464 10.286 9.270 8.384 7.601 6.902 6.270 5.688 5.145 4.630 4.109 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.907 16.487 14.510 12.868 11.486 10.309 9.293 8.407 7.626 6.929 6.300 5.724 5.189 4.685 4.164 7.500 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.930 16.511 14.533 12.891 11.509 10.331 9.316 8.430 7.650 6.955 6.329 5.758 5.232 4.739 4.233 5.232 6.207 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.953 16.534 14.556 12.913 11.531 10.353 9.338 8.453 7.674 6.980 6.357 5.791 5.272 4.791 4.305 4.693 5.037 5.654 6.553 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.976 16.557 14.579 12.936 11.553 10.375 9.360 8.475 7.697 7.005 6.384 5.823 5.311 4.840 4.376 4.458 4.603 4.875 5.309 5.901 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.999 16.580 14.601 12.958 11.574 10.396 9.381 8.497 7.720 7.029 6.411 5.853 5.348 4.886 4.442 4.332 4.388 4.514 4.731 5.054 5.476 5.948 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.021 16.603 14.623 12.979 11.595 10.417 9.402 8.519 7.742 7.053 6.437 5.882 5.382 4.930 4.503 4.259 4.265 4.316 4.424 4.600 4.850 5.165 5.519 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.043 16.625 14.645 13.001 11.616 10.438 9.423 8.540 7.765 7.077 6.462 5.911 5.415 4.969 4.559 4.215 4.191 4.198 4.244 4.336 4.480 4.677 4.921 5.196 5.479 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.064 16.647 14.667 13.022 11.637 10.458 9.444 8.561 7.786 7.099 6.487 5.938 5.446 5.006 4.608 4.190 4.145 4.124 4.131 4.171 4.249 4.368 4.526 4.720 4.939 5.169 5.399 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.086 16.669 14.688 13.043 11.658 10.479 9.464 8.582 7.808 7.122 6.510 5.964 5.475 5.040 4.651 4.177 4.117 4.077 4.058 4.064 4.099 4.165 4.263 4.392 4.549 4.727 4.918 5.114 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.107 16.691 14.710 13.063 11.678 10.499 9.484 8.602 7.829 7.144 6.534 5.989 5.502 5.071 4.688 4.173 4.102 4.047 4.010 3.993 3.998 4.027 4.083 4.164 4.271 4.400 4.548 4.708 4.877 5.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.127 16.712 14.731 13.084 11.698 10.518 9.504 8.623 7.849 7.165 6.557 6.013 5.528 5.099 4.721 4.174 4.096 4.030 3.980 3.946 3.930 3.933 3.957 4.003 4.071 4.160 4.268 4.392 4.529 4.676 4.830 99999.999 99999.999 99999.999 99999.999 99999.999 19.148 16.733 14.751 13.104 11.718 10.538 9.524 8.642 7.870 7.187 6.579 6.037 5.553 5.125 4.749 4.180 4.095 4.022 3.961 3.915 3.883 3.867 3.869 3.888 3.927 3.984 4.059 4.150 4.256 4.374 4.503 4.640 4.785 99999.999 99999.999 99999.999 19.168 16.754 14.772 13.124 11.737 10.557 9.543 8.662 7.890 7.207 6.601 6.059 5.577 5.149 4.774 4.189 4.099 4.020 3.952 3.895 3.851 3.821 3.806 3.805 3.821 3.853 3.901 3.965 4.043 4.134 4.237 4.351 4.474 4.606 99999.999 99999.999 19.188 16.775 14.792 13.144 11.757 10.576 9.562 8.681 7.910 7.228 6.622 6.082 5.600 5.172 4.797 4.200 4.107 4.023 3.948 3.884 3.831 3.790 3.761 3.746 3.744 3.756 3.782 3.823 3.877 3.944 4.024 4.114 4.216 4.327 4.447 4.577 19.208 16.795 14.812 13.163 11.776 10.595 9.581 8.700 7.929 7.248 6.643 6.103 5.622 5.195 4.818 4.213 4.117 4.029 3.950 3.880 3.820 3.770 3.731 3.703 3.687 3.684 3.693 3.714 3.749 3.795 3.854 3.923 4.003 4.094 4.194 4.303 19.394 16.989 15.003 13.349 11.957 10.774 9.758 8.879 8.111 7.436 6.837 6.305 5.829 5.405 5.026 4.391 4.282 4.178 4.079 3.986 3.898 3.815 3.737 3.664 3.595 3.532 3.473 3.420 3.371 3.327 3.288 3.255 3.226 3.202 3.183 3.170 19.562 17.166 15.178 13.520 12.123 10.937 9.919 9.040 8.274 7.602 7.008 6.481 6.012 5.592 5.217 4.581 4.470 4.364 4.262 4.165 4.072 3.983 3.898 3.817 3.739 3.665 3.594 3.526 3.462 3.400 3.341 3.285 3.232 3.181 3.133 3.087 19.716 17.330 15.340 13.678 12.278 11.088 10.068 9.187 8.422 7.752 7.162 6.639 6.175 5.760 5.389 4.759 4.649 4.543 4.442 4.345 4.252 4.162 4.076 3.994 3.915 3.839 3.765 3.695 3.627 3.561 3.498 3.437 3.378 3.321 3.266 3.213 19.859 17.483 15.493 13.827 12.423 11.229 10.206 9.324 8.559 7.890 7.302 6.783 6.322 5.911 5.545 4.923 4.814 4.709 4.609 4.513 4.421 4.332 4.247 4.165 4.087 4.011 3.938 3.868 3.800 3.734 3.671 3.610 3.550 3.493 3.437 3.382 19.993 17.629 15.638 13.969 12.560 11.363 10.337 9.453 8.686 8.018 7.431 6.914 6.456 6.050 5.687 5.072 4.965 4.861 4.763 4.668 4.577 4.490 4.406 4.325 4.248 4.174 4.102 4.033 3.966 3.901 3.839 3.779 3.720 3.664 3.608 3.555 20.120 17.767 15.776 14.103 12.691 11.490 10.462 9.575 8.807 8.138 7.552 7.036 6.581 6.177 5.817 5.209 5.103 5.001 4.904 4.810 4.721 4.635 4.553 4.473 4.397 4.324 4.254 4.186 4.120 4.057 3.996 3.937 3.880 3.825 3.771 3.719 20.241 17.900 15.908 14.233 12.817 11.612 10.581 9.692 8.922 8.252 7.666 7.151 6.697 6.295 5.938 5.336 5.231 5.130 5.034 4.942 4.854 4.769 4.688 4.610 4.535 4.463 4.394 4.327 4.263 4.201 4.142 4.084 4.029 3.975 3.923 3.872 99999.999 18.029 16.036 14.357 12.938 11.730 10.695 9.804 9.032 8.361 7.774 7.259 6.806 6.406 6.051 5.453 5.349 5.250 5.155 5.064 4.977 4.893 4.813 4.736 4.662 4.592 4.524 4.458 4.395 4.335 4.276 4.220 4.166 4.113 4.062 4.013 EuO2H,aq EuO2H(AQ) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 3.000 Ref: Shock07 3 -3.000 1 2.000 2 1.000 57 29.093 25.417 22.480 20.086 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.093 25.417 22.480 20.086 18.105 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.094 25.418 22.480 20.086 18.106 16.447 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.095 25.419 22.482 20.087 18.107 16.448 15.040 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.097 25.421 22.484 20.090 18.109 16.450 15.043 13.834 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.100 25.425 22.487 20.093 18.113 16.453 15.046 13.838 12.788 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.105 25.430 22.492 20.098 18.118 16.458 15.051 13.844 12.795 11.868 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.112 25.437 22.499 20.105 18.125 16.466 15.059 13.852 12.803 11.878 11.043 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.121 25.447 22.509 20.115 18.134 16.475 15.069 13.863 12.815 11.892 11.059 10.287 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.133 25.460 22.522 20.128 18.147 16.489 15.083 13.877 12.831 11.909 11.080 10.314 9.584 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.149 25.476 22.539 20.144 18.164 16.506 15.100 13.896 12.851 11.932 11.108 10.348 9.629 8.941 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.170 25.498 22.560 20.165 18.185 16.527 15.123 13.919 12.877 11.961 11.142 10.392 9.685 9.002 8.388 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.185 25.514 22.576 20.182 18.201 16.544 15.140 13.937 12.896 11.983 11.168 10.424 9.728 9.054 8.367 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.207 25.537 22.600 20.205 18.224 16.567 15.164 13.963 12.924 12.014 11.204 10.469 9.787 9.131 8.431 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.228 25.560 22.622 20.227 18.247 16.590 15.187 13.988 12.950 12.043 11.239 10.513 9.844 9.207 8.528 11.387 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.249 25.582 22.645 20.249 18.269 16.612 15.210 14.012 12.976 12.072 11.272 10.554 9.898 9.280 8.633 9.397 10.212 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.269 25.604 22.667 20.271 18.291 16.634 15.233 14.036 13.002 12.100 11.305 10.594 9.949 9.349 8.736 8.940 9.202 9.697 10.405 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.289 25.626 22.688 20.293 18.312 16.655 15.255 14.059 13.027 12.127 11.336 10.631 9.997 9.414 8.833 8.755 8.842 9.039 9.373 9.826 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.309 25.647 22.709 20.314 18.333 16.677 15.277 14.081 13.051 12.154 11.366 10.667 10.042 9.474 8.923 8.665 8.675 8.746 8.896 9.134 9.445 9.777 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.328 25.667 22.730 20.334 18.354 16.697 15.298 14.104 13.075 12.180 11.395 10.702 10.084 9.529 9.005 8.621 8.588 8.596 8.653 8.768 8.944 9.167 9.412 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.347 25.688 22.751 20.355 18.374 16.718 15.319 14.125 13.098 12.205 11.423 10.734 10.124 9.580 9.078 8.601 8.543 8.514 8.519 8.564 8.652 8.784 8.951 9.136 9.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.365 25.708 22.771 20.375 18.394 16.738 15.339 14.147 13.121 12.230 11.451 10.766 10.161 9.626 9.142 8.597 8.522 8.469 8.442 8.444 8.478 8.547 8.648 8.776 8.919 9.067 9.208 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.384 25.727 22.791 20.394 18.413 16.757 15.359 14.168 13.143 12.254 11.477 10.795 10.196 9.668 9.199 8.602 8.515 8.447 8.398 8.373 8.372 8.398 8.451 8.529 8.629 8.744 8.867 8.991 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.401 25.747 22.810 20.414 18.433 16.777 15.379 14.188 13.164 12.277 11.503 10.824 10.229 9.707 9.248 8.613 8.518 8.439 8.376 8.331 8.306 8.303 8.321 8.363 8.425 8.505 8.599 8.703 8.813 8.926 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.419 25.766 22.830 20.433 18.452 16.796 15.399 14.209 13.186 12.300 11.527 10.851 10.259 9.742 9.290 8.628 8.528 8.441 8.367 8.309 8.267 8.243 8.237 8.250 8.282 8.332 8.398 8.477 8.567 8.665 8.771 99999.999 99999.999 99999.999 99999.999 99999.999 29.436 25.785 22.848 20.452 18.470 16.815 15.418 14.228 13.207 12.322 11.552 10.878 10.288 9.774 9.327 8.647 8.542 8.449 8.368 8.300 8.246 8.207 8.183 8.175 8.184 8.209 8.250 8.305 8.373 8.452 8.541 8.640 8.748 99999.999 99999.999 99999.999 29.453 25.803 22.867 20.470 18.489 16.833 15.437 14.248 13.227 12.344 11.575 10.903 10.316 9.803 9.359 8.668 8.559 8.462 8.375 8.300 8.237 8.186 8.149 8.126 8.117 8.123 8.143 8.177 8.224 8.283 8.354 8.436 8.528 8.631 99999.999 99999.999 29.469 25.821 22.886 20.488 18.507 16.851 15.455 14.267 13.247 12.366 11.598 10.928 10.342 9.831 9.388 8.690 8.579 8.478 8.387 8.307 8.237 8.178 8.131 8.096 8.073 8.063 8.066 8.083 8.112 8.153 8.206 8.270 8.346 8.432 8.530 8.640 29.485 25.839 22.904 20.506 18.525 16.869 15.473 14.286 13.267 12.387 11.621 10.952 10.368 9.858 9.415 8.713 8.601 8.497 8.403 8.318 8.243 8.177 8.123 8.078 8.045 8.023 8.013 8.015 8.028 8.053 8.090 8.138 8.197 8.268 8.349 8.442 29.632 26.004 23.072 20.673 18.691 17.035 15.641 14.458 13.447 12.577 11.824 11.168 10.597 10.099 9.665 8.961 8.843 8.732 8.628 8.529 8.437 8.351 8.270 8.195 8.125 8.060 8.001 7.947 7.898 7.854 7.815 7.782 7.754 7.732 7.715 7.703 29.756 26.148 23.220 20.821 18.837 17.181 15.788 14.608 13.602 12.739 11.995 11.350 10.790 10.303 9.880 9.192 9.076 8.967 8.864 8.766 8.674 8.587 8.505 8.428 8.355 8.286 8.221 8.160 8.103 8.049 7.998 7.951 7.907 7.865 7.827 7.792 29.863 26.276 23.352 20.954 18.969 17.312 15.919 14.741 13.738 12.880 12.143 11.507 10.956 10.479 10.064 9.394 9.282 9.176 9.076 8.981 8.892 8.808 8.728 8.653 8.582 8.515 8.452 8.392 8.336 8.283 8.232 8.184 8.139 8.096 8.056 8.018 29.956 26.391 23.472 21.074 19.088 17.431 16.038 14.860 13.860 13.006 12.274 11.644 11.101 10.631 10.225 9.572 9.463 9.360 9.263 9.172 9.086 9.005 8.928 8.856 8.789 8.725 8.665 8.608 8.554 8.504 8.456 8.411 8.368 8.328 8.290 8.253 30.037 26.496 23.583 21.185 19.199 17.540 16.147 14.970 13.970 13.119 12.391 11.766 11.229 10.766 10.367 9.729 9.623 9.523 9.429 9.340 9.257 9.179 9.106 9.037 8.973 8.912 8.855 8.801 8.751 8.703 8.659 8.617 8.577 8.540 8.505 8.472 30.111 26.593 23.685 21.288 19.301 17.642 16.248 15.070 14.072 13.222 12.497 11.876 11.344 10.887 10.494 9.868 9.765 9.667 9.576 9.491 9.410 9.335 9.265 9.198 9.137 9.079 9.024 8.974 8.926 8.882 8.840 8.801 8.765 8.731 8.699 8.668 30.177 26.683 23.781 21.385 19.397 17.737 16.342 15.164 14.167 13.318 12.595 11.977 11.448 10.996 10.608 9.993 9.892 9.797 9.708 9.625 9.547 9.474 9.406 9.343 9.283 9.228 9.176 9.128 9.083 9.041 9.002 8.966 8.932 8.901 8.871 8.844 99999.999 26.768 23.871 21.476 19.487 17.826 16.431 15.253 14.255 13.407 12.685 12.070 11.544 11.095 10.712 10.107 10.007 9.914 9.828 9.746 9.671 9.600 9.534 9.472 9.415 9.362 9.312 9.266 9.224 9.184 9.147 9.113 9.082 9.053 9.026 9.001 EuO2- EuO2- P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 4.000 Ref: Shock07 3 -4.000 1 2.000 2 1.000 57 38.791 34.507 31.029 28.157 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.791 34.507 31.029 28.157 25.754 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.791 34.507 31.029 28.158 25.755 23.722 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.792 34.508 31.031 28.159 25.756 23.723 21.987 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.794 34.510 31.032 28.160 25.757 23.725 21.989 20.494 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.797 34.513 31.035 28.163 25.760 23.727 21.991 20.497 19.202 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.801 34.517 31.040 28.167 25.764 23.731 21.995 20.501 19.206 18.077 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.807 34.524 31.046 28.173 25.770 23.737 22.001 20.506 19.211 18.083 17.092 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.814 34.532 31.054 28.182 25.778 23.745 22.008 20.514 19.219 18.090 17.100 16.231 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.825 34.543 31.065 28.192 25.788 23.755 22.018 20.524 19.229 18.100 17.110 16.241 15.493 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.839 34.558 31.080 28.207 25.802 23.768 22.032 20.537 19.242 18.113 17.124 16.254 15.501 14.922 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.856 34.577 31.098 28.225 25.819 23.785 22.048 20.553 19.258 18.130 17.141 16.272 15.516 14.897 14.668 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.869 34.591 31.112 28.238 25.833 23.798 22.061 20.566 19.271 18.143 17.154 16.286 15.529 14.895 14.476 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.888 34.611 31.132 28.258 25.852 23.816 22.079 20.584 19.289 18.161 17.173 16.306 15.549 14.904 14.380 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.906 34.631 31.152 28.277 25.870 23.834 22.097 20.601 19.306 18.178 17.191 16.326 15.571 14.921 14.360 19.474 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.924 34.650 31.171 28.295 25.888 23.852 22.114 20.618 19.323 18.195 17.209 16.346 15.593 14.943 14.370 15.959 17.528 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.942 34.669 31.190 28.314 25.906 23.869 22.131 20.635 19.340 18.212 17.227 16.365 15.614 14.967 14.395 15.075 15.671 16.703 18.233 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.959 34.688 31.209 28.332 25.923 23.886 22.147 20.652 19.356 18.229 17.244 16.384 15.635 14.991 14.425 14.654 14.941 15.430 16.186 17.226 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.976 34.706 31.227 28.350 25.941 23.903 22.164 20.668 19.372 18.245 17.261 16.402 15.655 15.014 14.455 14.404 14.548 14.808 15.216 15.804 16.571 17.463 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.992 34.724 31.245 28.367 25.957 23.919 22.180 20.684 19.388 18.261 17.277 16.419 15.674 15.035 14.485 14.237 14.302 14.441 14.674 15.022 15.496 16.093 16.780 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.008 34.742 31.263 28.384 25.974 23.935 22.196 20.699 19.404 18.276 17.293 16.435 15.692 15.055 14.511 14.120 14.133 14.200 14.333 14.543 14.842 15.235 15.715 16.264 16.849 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.024 34.759 31.280 28.401 25.990 23.951 22.211 20.714 19.419 18.292 17.308 16.451 15.708 15.073 14.534 14.033 14.011 14.031 14.099 14.224 14.413 14.673 15.005 15.402 15.853 16.337 16.834 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.039 34.776 31.297 28.418 26.007 23.967 22.226 20.730 19.434 18.307 17.323 16.466 15.724 15.089 14.553 13.967 13.920 13.906 13.931 13.999 14.116 14.287 14.514 14.798 15.134 15.512 15.920 16.345 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.055 34.793 31.314 28.434 26.022 23.982 22.241 20.744 19.449 18.321 17.338 16.481 15.738 15.103 14.568 13.917 13.850 13.812 13.805 13.833 13.899 14.008 14.163 14.364 14.610 14.898 15.222 15.571 15.939 16.316 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.070 34.810 31.331 28.450 26.038 23.997 22.256 20.759 19.463 18.336 17.352 16.495 15.752 15.115 14.580 13.877 13.796 13.738 13.708 13.706 13.736 13.801 13.902 14.042 14.221 14.437 14.688 14.968 15.272 15.593 15.926 99999.999 99999.999 99999.999 99999.999 99999.999 39.084 34.826 31.347 28.466 26.053 24.012 22.271 20.773 19.477 18.350 17.366 16.509 15.764 15.126 14.588 13.846 13.753 13.681 13.632 13.608 13.610 13.642 13.704 13.798 13.925 14.085 14.276 14.496 14.742 15.009 15.293 15.590 15.897 99999.999 99999.999 99999.999 39.099 34.842 31.363 28.482 26.068 24.027 22.285 20.787 19.491 18.364 17.380 16.522 15.776 15.136 14.595 13.821 13.719 13.635 13.572 13.530 13.511 13.517 13.549 13.608 13.695 13.811 13.955 14.126 14.321 14.539 14.776 15.028 15.295 15.571 99999.999 99999.999 39.113 34.858 31.379 28.497 26.083 24.041 22.299 20.801 19.505 18.377 17.393 16.534 15.788 15.145 14.600 13.802 13.692 13.598 13.523 13.467 13.432 13.418 13.426 13.458 13.514 13.595 13.701 13.831 13.984 14.159 14.353 14.565 14.792 15.031 15.282 15.543 39.127 34.873 31.394 28.512 26.098 24.055 22.313 20.815 19.518 18.391 17.406 16.547 15.799 15.154 14.604 13.787 13.670 13.569 13.484 13.417 13.368 13.337 13.327 13.337 13.368 13.422 13.497 13.594 13.712 13.850 14.008 14.182 14.373 14.577 14.794 15.022 39.253 35.017 31.539 28.654 26.234 24.187 22.441 20.940 19.643 18.514 17.529 16.666 15.910 15.250 14.676 13.758 13.608 13.469 13.340 13.221 13.112 13.013 12.924 12.844 12.774 12.713 12.661 12.619 12.585 12.561 12.546 12.539 12.542 12.552 12.571 12.598 39.360 35.143 31.667 28.779 26.355 24.304 22.554 21.051 19.751 18.622 17.636 16.772 16.014 15.348 14.765 13.811 13.650 13.499 13.357 13.223 13.097 12.979 12.868 12.765 12.669 12.580 12.497 12.421 12.351 12.287 12.228 12.175 12.128 12.085 12.048 12.015 39.452 35.255 31.781 28.891 26.464 24.409 22.656 21.149 19.848 18.717 17.730 16.866 16.107 15.439 14.852 13.883 13.718 13.562 13.414 13.274 13.141 13.015 12.897 12.785 12.679 12.579 12.485 12.397 12.313 12.235 12.162 12.093 12.028 11.967 11.911 11.858 39.533 35.356 31.886 28.994 26.564 24.505 22.748 21.239 19.935 18.803 17.816 16.951 16.192 15.523 14.934 13.958 13.791 13.633 13.482 13.339 13.203 13.074 12.952 12.836 12.725 12.621 12.522 12.428 12.339 12.255 12.175 12.100 12.028 11.960 11.896 11.835 39.605 35.448 31.982 29.089 26.656 24.594 22.834 21.322 20.016 18.882 17.893 17.028 16.269 15.600 15.010 14.031 13.863 13.703 13.551 13.407 13.270 13.139 13.015 12.897 12.784 12.678 12.576 12.480 12.388 12.301 12.219 12.140 12.065 11.994 11.926 11.862 39.670 35.534 32.072 29.178 26.742 24.677 22.913 21.399 20.090 18.955 17.965 17.099 16.339 15.670 15.081 14.100 13.932 13.771 13.619 13.474 13.335 13.204 13.079 12.960 12.846 12.739 12.636 12.539 12.446 12.357 12.273 12.193 12.117 12.044 11.975 11.909 39.728 35.614 32.156 29.261 26.823 24.755 22.988 21.471 20.160 19.023 18.032 17.165 16.404 15.735 15.146 14.165 13.996 13.836 13.683 13.537 13.399 13.267 13.141 13.022 12.908 12.799 12.696 12.598 12.505 12.416 12.331 12.250 12.173 12.100 12.030 11.963 99999.999 35.689 32.235 29.340 26.900 24.829 23.060 21.539 20.226 19.087 18.094 17.226 16.465 15.796 15.206 14.225 14.056 13.896 13.743 13.597 13.458 13.326 13.200 13.081 12.967 12.858 12.755 12.656 12.562 12.473 12.388 12.307 12.230 12.156 12.086 12.019 EuF2,aq EuF2(AQ) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 6 -1.125 1 -0.125 4 1.000 57 0.125 6 0.500 2 2.000 23 14.113 12.260 10.433 8.692 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.113 12.260 10.433 8.692 7.039 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.114 12.261 10.434 8.693 7.040 5.466 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.116 12.263 10.436 8.695 7.043 5.468 3.955 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.120 12.266 10.439 8.698 7.046 5.472 3.959 2.493 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.126 12.272 10.445 8.704 7.052 5.478 3.966 2.500 1.063 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.135 12.281 10.453 8.712 7.060 5.487 3.975 2.510 1.075 -0.353 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.148 12.293 10.465 8.724 7.072 5.499 3.989 2.526 1.093 -0.332 -1.779 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.165 12.309 10.481 8.740 7.089 5.517 4.008 2.547 1.116 -0.303 -1.743 -3.243 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.189 12.332 10.503 8.762 7.111 5.540 4.033 2.574 1.148 -0.266 -1.696 -3.180 -4.768 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.219 12.360 10.531 8.790 7.140 5.570 4.065 2.610 1.189 -0.218 -1.636 -3.100 -4.656 -6.362 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.257 12.397 10.567 8.826 7.176 5.608 4.106 2.656 1.240 -0.157 -1.561 -3.001 -4.518 -6.174 -8.073 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.286 12.425 10.595 8.853 7.204 5.638 4.138 2.690 1.279 -0.111 -1.504 -2.927 -4.416 -6.030 -7.943 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.327 12.465 10.634 8.892 7.244 5.679 4.182 2.739 1.334 -0.047 -1.426 -2.824 -4.275 -5.832 -7.676 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.368 12.505 10.672 8.931 7.283 5.720 4.226 2.787 1.388 0.015 -1.350 -2.727 -4.143 -5.644 -7.396 -5.941 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.407 12.543 10.710 8.969 7.322 5.760 4.269 2.834 1.441 0.075 -1.277 -2.634 -4.018 -5.468 -7.126 -7.767 -7.386 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.446 12.581 10.748 9.006 7.360 5.800 4.311 2.880 1.492 0.134 -1.207 -2.546 -3.901 -5.303 -6.872 -8.115 -8.242 -8.185 -8.072 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.484 12.619 10.785 9.043 7.398 5.839 4.353 2.925 1.542 0.191 -1.139 -2.461 -3.790 -5.151 -6.638 -8.193 -8.482 -8.682 -8.786 -8.866 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.522 12.656 10.821 9.079 7.434 5.877 4.393 2.969 1.591 0.247 -1.074 -2.381 -3.687 -5.010 -6.425 -8.181 -8.538 -8.846 -9.097 -9.296 -9.486 -9.755 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.558 12.692 10.857 9.115 7.471 5.915 4.433 3.012 1.639 0.301 -1.010 -2.304 -3.589 -4.880 -6.233 -8.131 -8.521 -8.882 -9.207 -9.495 -9.753 -10.009 -10.309 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.594 12.728 10.892 9.150 7.507 5.952 4.473 3.055 1.686 0.354 -0.949 -2.231 -3.498 -4.761 -6.060 -8.063 -8.470 -8.858 -9.224 -9.563 -9.877 -10.173 -10.469 -10.791 -11.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.630 12.763 10.927 9.185 7.542 5.989 4.511 3.097 1.731 0.405 -0.890 -2.161 -3.412 -4.652 -5.907 -7.985 -8.402 -8.806 -9.193 -9.563 -9.913 -10.245 -10.566 -10.887 -11.222 -11.587 -11.989 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.664 12.798 10.962 9.220 7.577 6.025 4.550 3.138 1.777 0.456 -0.832 -2.094 -3.332 -4.551 -5.771 -7.902 -8.324 -8.737 -9.137 -9.525 -9.898 -10.256 -10.601 -10.938 -11.273 -11.615 -11.971 -12.346 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.698 12.832 10.996 9.254 7.612 6.061 4.587 3.178 1.821 0.505 -0.777 -2.029 -3.256 -4.459 -5.651 -7.816 -8.242 -8.659 -9.067 -9.466 -9.853 -10.228 -10.592 -10.945 -11.291 -11.634 -11.978 -12.327 -12.682 -13.043 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.732 12.866 11.029 9.288 7.646 6.096 4.624 3.218 1.864 0.553 -0.722 -1.967 -3.184 -4.375 -5.545 -7.730 -8.157 -8.577 -8.989 -9.394 -9.790 -10.176 -10.552 -10.919 -11.277 -11.628 -11.974 -12.317 -12.659 -12.999 -13.336 99999.999 99999.999 99999.999 99999.999 99999.999 14.765 12.899 11.063 9.321 7.680 6.130 4.661 3.257 1.907 0.600 -0.670 -1.908 -3.116 -4.296 -5.451 -7.645 -8.071 -8.492 -8.906 -9.315 -9.716 -10.109 -10.494 -10.871 -11.239 -11.599 -11.952 -12.298 -12.638 -12.972 -13.299 -13.618 -13.925 99999.999 99999.999 99999.999 14.797 12.932 11.095 9.354 7.713 6.165 4.697 3.295 1.949 0.647 -0.618 -1.850 -3.051 -4.223 -5.366 -7.560 -7.985 -8.406 -8.821 -9.231 -9.636 -10.033 -10.424 -10.807 -11.183 -11.551 -11.910 -12.262 -12.606 -12.942 -13.269 -13.586 -13.890 -14.180 99999.999 99999.999 14.829 12.965 11.128 9.386 7.746 6.199 4.732 3.333 1.990 0.692 -0.568 -1.794 -2.989 -4.154 -5.289 -7.476 -7.900 -8.320 -8.735 -9.146 -9.551 -9.952 -10.346 -10.734 -11.114 -11.488 -11.854 -12.212 -12.562 -12.902 -13.233 -13.553 -13.860 -14.154 -14.430 -14.688 14.860 12.997 11.160 9.418 7.778 6.232 4.767 3.371 2.030 0.736 -0.519 -1.740 -2.929 -4.088 -5.217 -7.393 -7.816 -8.234 -8.649 -9.059 -9.465 -9.867 -10.263 -10.653 -11.038 -11.416 -11.787 -12.150 -12.505 -12.851 -13.187 -13.513 -13.826 -14.126 -14.410 -14.677 15.144 13.295 11.461 9.721 8.085 6.546 5.094 3.717 2.403 1.142 -0.074 -1.251 -2.391 -3.499 -4.576 -6.648 -7.050 -7.450 -7.846 -8.239 -8.630 -9.018 -9.403 -9.785 -10.165 -10.542 -10.917 -11.288 -11.657 -12.021 -12.383 -12.739 -13.092 -13.439 -13.781 -14.116 15.385 13.561 11.733 9.995 8.363 6.830 5.388 4.024 2.729 1.492 0.306 -0.838 -1.942 -3.011 -4.047 -6.032 -6.416 -6.797 -7.175 -7.550 -7.921 -8.290 -8.656 -9.019 -9.380 -9.739 -10.096 -10.451 -10.804 -11.154 -11.503 -11.850 -12.194 -12.537 -12.877 -13.216 15.592 13.800 11.981 10.247 8.618 7.090 5.655 4.302 3.021 1.803 0.639 -0.479 -1.554 -2.592 -3.596 -5.511 -5.881 -6.247 -6.610 -6.969 -7.325 -7.677 -8.027 -8.374 -8.718 -9.061 -9.401 -9.738 -10.074 -10.408 -10.741 -11.071 -11.400 -11.728 -12.054 -12.379 15.773 14.017 12.210 10.481 8.855 7.331 5.902 4.557 3.287 2.083 0.936 -0.161 -1.213 -2.226 -3.203 -5.061 -5.419 -5.773 -6.124 -6.470 -6.813 -7.153 -7.489 -7.823 -8.153 -8.482 -8.807 -9.131 -9.452 -9.772 -10.090 -10.406 -10.720 -11.033 -11.345 -11.655 15.932 14.217 12.423 10.699 9.077 7.557 6.132 4.794 3.532 2.339 1.206 0.126 -0.908 -1.900 -2.855 -4.666 -5.014 -5.358 -5.698 -6.034 -6.367 -6.696 -7.021 -7.344 -7.663 -7.980 -8.294 -8.606 -8.915 -9.223 -9.528 -9.832 -10.134 -10.434 -10.733 -11.031 16.074 14.403 12.623 10.905 9.286 7.769 6.348 5.015 3.761 2.576 1.454 0.387 -0.631 -1.606 -2.543 -4.314 -4.654 -4.990 -5.321 -5.648 -5.972 -6.292 -6.609 -6.922 -7.232 -7.539 -7.844 -8.146 -8.446 -8.743 -9.038 -9.332 -9.623 -9.913 -10.201 -10.488 16.201 14.577 12.811 11.099 9.484 7.970 6.553 5.224 3.975 2.798 1.685 0.628 -0.377 -1.338 -2.259 -3.997 -4.330 -4.659 -4.983 -5.303 -5.619 -5.931 -6.240 -6.546 -6.848 -7.148 -7.444 -7.738 -8.030 -8.319 -8.606 -8.891 -9.174 -9.455 -9.735 -10.013 99999.999 14.742 12.990 11.285 9.673 8.162 6.748 5.422 4.178 3.007 1.901 0.853 -0.143 -1.092 -2.000 -3.709 -4.036 -4.358 -4.676 -4.990 -5.300 -5.606 -5.909 -6.208 -6.504 -6.796 -7.086 -7.374 -7.658 -7.940 -8.220 -8.498 -8.774 -9.048 -9.321 -9.591 EuF3- EuF3- P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Shock07 6 -1.125 1 -0.125 4 1.000 57 0.125 6 0.500 2 3.000 23 14.284 12.729 11.041 9.345 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.284 12.729 11.041 9.345 7.676 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.285 12.730 11.043 9.347 7.677 6.043 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.288 12.733 11.045 9.349 7.680 6.046 4.443 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.292 12.737 11.049 9.353 7.684 6.050 4.448 2.870 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.300 12.744 11.056 9.360 7.691 6.057 4.455 2.878 1.314 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.311 12.754 11.066 9.369 7.700 6.067 4.466 2.889 1.327 -0.238 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.326 12.769 11.080 9.383 7.714 6.081 4.481 2.906 1.346 -0.216 -1.808 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.348 12.789 11.100 9.402 7.734 6.101 4.502 2.929 1.372 -0.186 -1.771 -3.421 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.376 12.816 11.125 9.428 7.759 6.128 4.530 2.959 1.406 -0.147 -1.722 -3.357 -5.097 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.413 12.851 11.159 9.461 7.793 6.162 4.566 2.999 1.450 -0.096 -1.660 -3.275 -4.985 -6.849 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.460 12.895 11.202 9.503 7.835 6.206 4.613 3.049 1.505 -0.032 -1.582 -3.174 -4.845 -6.658 -8.735 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.495 12.929 11.235 9.536 7.868 6.239 4.648 3.087 1.547 0.017 -1.523 -3.098 -4.742 -6.514 -8.590 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.546 12.978 11.282 9.582 7.914 6.287 4.698 3.141 1.607 0.085 -1.441 -2.993 -4.600 -6.314 -8.316 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.595 13.025 11.328 9.628 7.960 6.334 4.747 3.193 1.665 0.151 -1.362 -2.893 -4.466 -6.125 -8.034 -7.455 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.643 13.072 11.373 9.672 8.005 6.380 4.795 3.245 1.722 0.215 -1.286 -2.798 -4.339 -5.949 -7.764 -8.956 -8.794 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.691 13.118 11.418 9.716 8.049 6.425 4.842 3.296 1.777 0.278 -1.213 -2.707 -4.220 -5.784 -7.512 -9.226 -9.483 -9.596 -9.700 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.737 13.163 11.462 9.760 8.093 6.469 4.889 3.346 1.831 0.339 -1.142 -2.620 -4.108 -5.631 -7.280 -9.266 -9.658 -9.978 -10.227 -10.477 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.783 13.208 11.506 9.803 8.136 6.513 4.935 3.394 1.885 0.398 -1.073 -2.537 -4.003 -5.490 -7.068 -9.232 -9.680 -10.088 -10.452 -10.779 -11.114 -11.538 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.827 13.251 11.549 9.845 8.178 6.557 4.980 3.442 1.937 0.456 -1.006 -2.457 -3.903 -5.359 -6.876 -9.167 -9.641 -10.092 -10.514 -10.909 -11.284 -11.668 -12.105 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.871 13.295 11.591 9.887 8.220 6.600 5.025 3.490 1.988 0.513 -0.942 -2.381 -3.810 -5.238 -6.704 -9.086 -9.574 -10.047 -10.501 -10.935 -11.351 -11.756 -12.170 -12.615 -13.116 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.914 13.337 11.633 9.928 8.261 6.642 5.068 3.536 2.038 0.568 -0.879 -2.308 -3.722 -5.127 -6.550 -8.999 -9.494 -9.978 -10.450 -10.907 -11.349 -11.780 -12.204 -12.634 -13.083 -13.564 -14.085 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.956 13.379 11.674 9.969 8.302 6.683 5.111 3.582 2.087 0.622 -0.818 -2.238 -3.639 -5.025 -6.414 -8.909 -9.407 -9.898 -10.379 -10.849 -11.308 -11.757 -12.197 -12.632 -13.070 -13.519 -13.984 -14.471 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.997 13.420 11.715 10.009 8.343 6.724 5.154 3.627 2.136 0.675 -0.759 -2.171 -3.561 -4.931 -6.292 -8.818 -9.317 -9.811 -10.297 -10.775 -11.244 -11.704 -12.156 -12.601 -13.043 -13.484 -13.929 -14.381 -14.842 -15.309 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.038 13.461 11.755 10.049 8.382 6.765 5.196 3.671 2.183 0.727 -0.702 -2.106 -3.486 -4.844 -6.185 -8.726 -9.226 -9.721 -10.209 -10.691 -11.166 -11.634 -12.095 -12.548 -12.995 -13.438 -13.879 -14.319 -14.759 -15.200 -15.638 99999.999 99999.999 99999.999 99999.999 99999.999 15.078 13.501 11.795 10.088 8.422 6.805 5.237 3.714 2.230 0.778 -0.646 -2.043 -3.416 -4.763 -6.089 -8.636 -9.135 -9.629 -10.119 -10.603 -11.081 -11.553 -12.019 -12.478 -12.931 -13.378 -13.820 -14.258 -14.691 -15.120 -15.544 -15.961 -16.367 99999.999 99999.999 99999.999 15.117 13.541 11.834 10.127 8.461 6.844 5.278 3.757 2.276 0.828 -0.591 -1.983 -3.348 -4.688 -6.002 -8.547 -9.044 -9.538 -10.027 -10.511 -10.991 -11.466 -11.935 -12.398 -12.855 -13.306 -13.751 -14.190 -14.623 -15.049 -15.468 -15.878 -16.277 -16.662 99999.999 99999.999 15.155 13.580 11.872 10.166 8.499 6.883 5.318 3.800 2.321 0.877 -0.537 -1.924 -3.283 -4.616 -5.923 -8.459 -8.955 -9.447 -9.935 -10.419 -10.899 -11.375 -11.846 -12.311 -12.771 -13.225 -13.673 -14.115 -14.549 -14.976 -15.395 -15.804 -16.202 -16.587 -16.956 -17.307 15.193 13.619 11.911 10.204 8.537 6.922 5.358 3.841 2.366 0.925 -0.485 -1.866 -3.220 -4.547 -5.847 -8.373 -8.867 -9.357 -9.844 -10.327 -10.807 -11.282 -11.753 -12.220 -12.682 -13.138 -13.588 -14.032 -14.469 -14.899 -15.319 -15.730 -16.131 -16.518 -16.891 -17.248 15.535 13.978 12.270 10.562 8.896 7.285 5.731 4.230 2.777 1.366 -0.008 -1.347 -2.656 -3.934 -5.183 -7.602 -8.074 -8.544 -9.010 -9.473 -9.933 -10.391 -10.846 -11.299 -11.749 -12.196 -12.641 -13.083 -13.521 -13.956 -14.388 -14.815 -15.238 -15.656 -16.069 -16.475 15.824 14.296 12.595 10.887 9.222 7.614 6.067 4.577 3.141 1.751 0.404 -0.906 -2.180 -3.421 -4.631 -6.966 -7.420 -7.871 -8.319 -8.763 -9.204 -9.642 -10.078 -10.511 -10.941 -11.369 -11.794 -12.217 -12.638 -13.057 -13.474 -13.888 -14.300 -14.710 -15.117 -15.522 16.070 14.583 12.891 11.186 9.522 7.917 6.375 4.893 3.468 2.094 0.767 -0.519 -1.766 -2.979 -4.158 -6.426 -6.867 -7.303 -7.736 -8.165 -8.591 -9.013 -9.433 -9.849 -10.263 -10.674 -11.082 -11.488 -11.892 -12.294 -12.694 -13.091 -13.487 -13.882 -14.274 -14.665 16.283 14.842 13.165 11.464 9.802 8.199 6.660 5.184 3.768 2.406 1.094 -0.173 -1.400 -2.589 -3.743 -5.958 -6.387 -6.812 -7.233 -7.650 -8.064 -8.473 -8.880 -9.283 -9.683 -10.081 -10.476 -10.868 -11.257 -11.645 -12.030 -12.413 -12.795 -13.174 -13.552 -13.928 16.469 15.081 13.419 11.723 10.064 8.463 6.927 5.456 4.046 2.694 1.393 0.141 -1.069 -2.240 -3.374 -5.545 -5.964 -6.380 -6.791 -7.198 -7.602 -8.001 -8.397 -8.790 -9.180 -9.566 -9.949 -10.330 -10.708 -11.084 -11.458 -11.829 -12.198 -12.565 -12.931 -13.294 16.633 15.301 13.657 11.968 10.311 8.712 7.179 5.711 4.306 2.961 1.670 0.429 -0.767 -1.923 -3.040 -5.174 -5.586 -5.994 -6.397 -6.796 -7.191 -7.582 -7.970 -8.354 -8.735 -9.112 -9.486 -9.858 -10.227 -10.593 -10.956 -11.318 -11.677 -12.034 -12.390 -12.743 16.778 15.508 13.882 12.200 10.547 8.949 7.418 5.953 4.552 3.212 1.928 0.696 -0.489 -1.632 -2.735 -4.839 -5.244 -5.645 -6.042 -6.434 -6.822 -7.206 -7.587 -7.964 -8.337 -8.707 -9.074 -9.438 -9.799 -10.157 -10.513 -10.866 -11.217 -11.566 -11.913 -12.258 99999.999 15.702 14.096 12.421 10.771 9.176 7.646 6.183 4.785 3.450 2.172 0.947 -0.230 -1.362 -2.454 -4.532 -4.932 -5.327 -5.718 -6.105 -6.487 -6.865 -7.240 -7.611 -7.978 -8.342 -8.702 -9.060 -9.414 -9.766 -10.115 -10.462 -10.806 -11.149 -11.489 -11.827 EuF4-2 EuF4-2 P-T:All Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: Shock07 6 -1.125 1 -0.125 4 1.000 57 0.125 6 0.500 2 4.000 23 13.869 13.051 11.872 10.534 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.869 13.051 11.872 10.534 9.119 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.870 13.053 11.873 10.536 9.121 7.663 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.874 13.056 11.876 10.539 9.124 7.666 6.183 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.879 13.061 11.881 10.544 9.128 7.671 6.188 4.684 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.888 13.069 11.889 10.551 9.136 7.679 6.196 4.693 3.169 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.901 13.082 11.901 10.563 9.147 7.690 6.208 4.705 3.183 1.630 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.920 13.099 11.917 10.579 9.163 7.707 6.225 4.724 3.203 1.653 0.053 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.945 13.123 11.940 10.601 9.185 7.729 6.248 4.748 3.230 1.685 0.091 -1.584 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.979 13.155 11.971 10.631 9.215 7.759 6.279 4.781 3.266 1.726 0.141 -1.519 -3.302 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.023 13.197 12.011 10.670 9.253 7.798 6.319 4.824 3.313 1.779 0.205 -1.436 -3.188 -5.127 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.079 13.250 12.061 10.719 9.302 7.847 6.370 4.878 3.372 1.846 0.285 -1.333 -3.048 -4.926 -7.157 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.122 13.290 12.100 10.757 9.340 7.885 6.409 4.920 3.417 1.897 0.346 -1.257 -2.944 -4.777 -6.958 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.183 13.348 12.156 10.811 9.393 7.939 6.465 4.979 3.481 1.968 0.430 -1.151 -2.802 -4.576 -6.655 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.242 13.404 12.210 10.864 9.445 7.992 6.520 5.036 3.543 2.038 0.511 -1.050 -2.668 -4.388 -6.366 -7.747 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.300 13.460 12.264 10.916 9.497 8.044 6.573 5.093 3.604 2.105 0.590 -0.954 -2.542 -4.213 -6.096 -8.172 -8.564 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.356 13.515 12.316 10.967 9.548 8.095 6.626 5.148 3.664 2.171 0.666 -0.861 -2.424 -4.050 -5.847 -8.185 -8.696 -9.196 -9.856 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.412 13.568 12.369 11.018 9.598 8.146 6.678 5.203 3.722 2.235 0.739 -0.773 -2.312 -3.899 -5.620 -8.104 -8.659 -9.200 -9.752 -10.399 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.466 13.621 12.420 11.069 9.648 8.196 6.729 5.256 3.779 2.298 0.811 -0.688 -2.206 -3.759 -5.413 -7.996 -8.566 -9.129 -9.690 -10.269 -10.913 -11.694 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.520 13.674 12.471 11.118 9.697 8.245 6.780 5.309 3.835 2.360 0.880 -0.607 -2.106 -3.630 -5.226 -7.882 -8.455 -9.026 -9.594 -10.167 -10.759 -11.399 -12.124 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.572 13.725 12.521 11.167 9.745 8.294 6.829 5.361 3.891 2.420 0.947 -0.529 -2.012 -3.510 -5.058 -7.766 -8.339 -8.911 -9.482 -10.054 -10.633 -11.230 -11.863 -12.551 -13.312 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.623 13.776 12.570 11.215 9.793 8.342 6.878 5.412 3.945 2.478 1.012 -0.454 -1.923 -3.399 -4.906 -7.652 -8.222 -8.793 -9.363 -9.933 -10.507 -11.088 -11.685 -12.308 -12.968 -13.673 -14.427 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.674 13.826 12.619 11.263 9.840 8.389 6.927 5.462 3.998 2.536 1.076 -0.382 -1.838 -3.296 -4.771 -7.540 -8.107 -8.675 -9.242 -9.810 -10.379 -10.953 -11.533 -12.126 -12.737 -13.373 -14.038 -14.730 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.723 13.875 12.667 11.310 9.887 8.436 6.974 5.512 4.050 2.592 1.138 -0.312 -1.758 -3.201 -4.649 -7.431 -7.995 -8.559 -9.123 -9.687 -10.252 -10.819 -11.391 -11.968 -12.554 -13.153 -13.768 -14.399 -15.046 -15.705 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.772 13.923 12.714 11.356 9.933 8.482 7.022 5.560 4.102 2.648 1.198 -0.245 -1.682 -3.112 -4.540 -7.326 -7.886 -8.446 -9.005 -9.566 -10.127 -10.689 -11.253 -11.820 -12.392 -12.971 -13.557 -14.152 -14.756 -15.366 -15.980 99999.999 99999.999 99999.999 99999.999 99999.999 14.819 13.971 12.761 11.402 9.979 8.528 7.068 5.608 4.153 2.702 1.257 -0.180 -1.609 -3.029 -4.442 -7.224 -7.780 -8.335 -8.891 -9.447 -10.004 -10.561 -11.120 -11.680 -12.242 -12.808 -13.377 -13.950 -14.527 -15.107 -15.688 -16.266 -16.839 99999.999 99999.999 99999.999 14.866 14.018 12.807 11.448 10.024 8.573 7.114 5.656 4.203 2.755 1.315 -0.117 -1.539 -2.951 -4.353 -7.124 -7.677 -8.229 -8.780 -9.332 -9.884 -10.437 -10.990 -11.544 -12.099 -12.656 -13.214 -13.773 -14.333 -14.894 -15.453 -16.008 -16.558 -17.099 99999.999 99999.999 14.912 14.065 12.853 11.493 10.068 8.617 7.159 5.703 4.252 2.808 1.371 -0.056 -1.472 -2.877 -4.270 -7.028 -7.576 -8.125 -8.673 -9.220 -9.768 -10.316 -10.865 -11.413 -11.962 -12.512 -13.061 -13.611 -14.160 -14.707 -15.252 -15.793 -16.328 -16.853 -17.368 -17.868 14.957 14.111 12.898 11.537 10.112 8.661 7.204 5.749 4.300 2.859 1.427 0.004 -1.407 -2.805 -4.192 -6.934 -7.479 -8.024 -8.568 -9.112 -9.655 -10.199 -10.743 -11.287 -11.830 -12.374 -12.917 -13.459 -14.000 -14.539 -15.074 -15.604 -16.129 -16.645 -17.151 -17.644 15.365 14.538 13.324 11.957 10.528 9.077 7.625 6.181 4.751 3.335 1.934 0.549 -0.819 -2.169 -3.502 -6.120 -6.636 -7.151 -7.664 -8.176 -8.686 -9.195 -9.702 -10.209 -10.714 -11.218 -11.721 -12.222 -12.722 -13.219 -13.715 -14.208 -14.698 -15.185 -15.667 -16.146 15.710 14.918 13.708 12.340 10.908 9.457 8.007 6.571 5.152 3.753 2.375 1.017 -0.320 -1.636 -2.932 -5.462 -5.960 -6.455 -6.947 -7.437 -7.924 -8.410 -8.893 -9.375 -9.855 -10.333 -10.809 -11.284 -11.757 -12.229 -12.699 -13.167 -13.633 -14.098 -14.561 -15.021 16.004 15.259 14.060 12.692 11.259 9.807 8.359 6.927 5.516 4.130 2.768 1.430 0.116 -1.174 -2.441 -4.908 -5.391 -5.871 -6.348 -6.823 -7.294 -7.763 -8.229 -8.693 -9.155 -9.615 -10.072 -10.528 -10.982 -11.433 -11.883 -12.332 -12.779 -13.224 -13.667 -14.109 16.258 15.569 14.384 13.020 11.586 10.133 8.686 7.257 5.852 4.475 3.125 1.802 0.506 -0.764 -2.009 -4.425 -4.898 -5.367 -5.833 -6.295 -6.754 -7.211 -7.664 -8.115 -8.564 -9.009 -9.453 -9.894 -10.333 -10.770 -11.205 -11.637 -12.069 -12.498 -12.926 -13.352 16.479 15.853 14.687 13.327 11.894 10.441 8.994 7.566 6.166 4.794 3.453 2.142 0.860 -0.394 -1.621 -3.998 -4.462 -4.922 -5.378 -5.832 -6.282 -6.728 -7.172 -7.612 -8.050 -8.485 -8.918 -9.348 -9.775 -10.200 -10.624 -11.045 -11.464 -11.881 -12.296 -12.709 16.673 16.117 14.971 13.617 12.186 10.732 9.285 7.859 6.461 5.094 3.759 2.457 1.186 -0.055 -1.268 -3.613 -4.070 -4.523 -4.972 -5.418 -5.860 -6.299 -6.735 -7.167 -7.597 -8.023 -8.447 -8.868 -9.287 -9.703 -10.116 -10.528 -10.937 -11.345 -11.750 -12.154 16.844 16.363 15.240 13.893 12.463 11.010 9.563 8.137 6.740 5.376 4.047 2.751 1.489 0.258 -0.943 -3.262 -3.713 -4.160 -4.604 -5.043 -5.479 -5.912 -6.341 -6.767 -7.190 -7.609 -8.026 -8.440 -8.852 -9.260 -9.667 -10.071 -10.472 -10.872 -11.270 -11.665 99999.999 16.594 15.495 14.156 12.729 11.276 9.829 8.403 7.007 5.645 4.319 3.029 1.773 0.550 -0.642 -2.939 -3.385 -3.828 -4.266 -4.701 -5.132 -5.559 -5.983 -6.403 -6.821 -7.235 -7.646 -8.054 -8.460 -8.863 -9.263 -9.661 -10.057 -10.450 -10.841 -11.231 EuNO3+2 EuNO3+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 6 -1.000 1 -1.000 2 -1.000 6 1.000 57 1.000 32 1.000 4 92.525 84.583 77.720 71.747 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.525 84.583 77.720 71.747 66.499 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.526 84.584 77.721 71.747 66.500 61.846 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.528 84.586 77.722 71.749 66.501 61.848 57.684 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.531 84.589 77.725 71.752 66.504 61.851 57.687 53.929 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.537 84.594 77.729 71.756 66.508 61.855 57.691 53.933 50.513 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.545 84.601 77.736 71.762 66.514 61.861 57.697 53.940 50.520 47.380 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.556 84.611 77.745 71.771 66.523 61.869 57.706 53.949 50.531 47.392 44.479 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.571 84.624 77.758 71.783 66.535 61.881 57.718 53.962 50.545 47.408 44.498 41.763 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.592 84.643 77.775 71.799 66.551 61.897 57.735 53.980 50.564 47.429 44.524 41.796 39.190 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.619 84.666 77.797 71.820 66.571 61.918 57.756 54.002 50.588 47.457 44.556 41.838 39.248 36.717 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.653 84.696 77.825 71.847 66.597 61.944 57.783 54.030 50.619 47.491 44.597 41.889 39.319 36.823 34.250 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.679 84.720 77.846 71.867 66.617 61.964 57.804 54.052 50.642 47.517 44.628 41.928 39.371 36.899 34.379 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.716 84.752 77.877 71.896 66.646 61.993 57.833 54.083 50.675 47.554 44.671 41.982 39.442 37.001 34.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.753 84.785 77.907 71.925 66.674 62.021 57.862 54.113 50.707 47.590 44.712 42.032 39.509 37.095 34.695 30.623 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.789 84.817 77.936 71.953 66.701 62.048 57.890 54.142 50.739 47.625 44.752 42.081 39.572 37.182 34.830 30.926 30.031 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.824 84.848 77.965 71.981 66.729 62.075 57.917 54.171 50.770 47.659 44.791 42.128 39.631 37.263 34.953 31.056 30.242 29.387 28.401 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.859 84.879 77.994 72.008 66.755 62.102 57.945 54.199 50.800 47.692 44.829 42.172 39.687 37.337 35.064 31.164 30.373 29.577 28.752 27.856 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.893 84.909 78.022 72.035 66.782 62.128 57.971 54.227 50.830 47.724 44.865 42.215 39.740 37.406 35.164 31.258 30.482 29.709 28.930 28.131 27.289 26.377 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.927 84.939 78.050 72.062 66.808 62.154 57.998 54.255 50.859 47.755 44.900 42.256 39.790 37.471 35.255 31.344 30.578 29.819 29.062 28.301 27.526 26.724 25.881 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.960 84.969 78.078 72.088 66.833 62.180 58.023 54.281 50.887 47.786 44.935 42.296 39.837 37.530 35.338 31.424 30.665 29.916 29.173 28.432 27.689 26.937 26.168 25.376 24.555 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.993 84.998 78.105 72.114 66.858 62.205 58.049 54.308 50.915 47.816 44.968 42.334 39.882 37.586 35.413 31.497 30.746 30.004 29.271 28.544 27.819 27.094 26.365 25.625 24.872 24.104 23.322 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.025 85.026 78.131 72.140 66.883 62.230 58.074 54.334 50.942 47.846 45.000 42.370 39.925 37.638 35.480 31.566 30.820 30.085 29.360 28.643 27.931 27.223 26.517 25.808 25.095 24.375 23.648 22.917 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.057 85.055 78.158 72.165 66.908 62.254 58.099 54.359 50.969 47.875 45.032 42.406 39.965 37.686 35.541 31.631 30.890 30.161 29.442 28.732 28.031 27.335 26.643 25.955 25.267 24.578 23.887 23.195 22.504 21.815 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.088 85.083 78.184 72.190 66.932 62.278 58.123 54.384 50.996 47.903 45.063 42.440 40.004 37.731 35.596 31.693 30.956 30.231 29.518 28.815 28.121 27.434 26.754 26.079 25.408 24.740 24.074 23.409 22.748 22.090 21.439 99999.999 99999.999 99999.999 99999.999 99999.999 93.119 85.110 78.209 72.214 66.956 62.302 58.147 54.409 51.022 47.931 45.093 42.473 40.041 37.773 35.646 31.752 31.019 30.298 29.590 28.892 28.204 27.525 26.854 26.189 25.531 24.877 24.228 23.583 22.942 22.307 21.679 21.058 20.449 99999.999 99999.999 99999.999 93.149 85.137 78.235 72.238 66.979 62.325 58.171 54.433 51.047 47.958 45.122 42.505 40.077 37.813 35.693 31.808 31.078 30.362 29.657 28.965 28.282 27.609 26.945 26.289 25.640 24.997 24.360 23.729 23.104 22.486 21.874 21.271 20.678 20.096 99999.999 99999.999 93.179 85.164 78.260 72.262 67.003 62.348 58.194 54.457 51.072 47.984 45.151 42.536 40.112 37.852 35.736 31.862 31.135 30.422 29.722 29.033 28.355 27.688 27.029 26.380 25.738 25.104 24.477 23.857 23.244 22.638 22.040 21.450 20.870 20.300 19.742 19.198 93.208 85.191 78.284 72.286 67.026 62.371 58.217 54.481 51.097 48.011 45.179 42.567 40.145 37.889 35.777 31.914 31.190 30.480 29.783 29.098 28.424 27.761 27.108 26.464 25.829 25.202 24.583 23.971 23.367 22.771 22.183 21.604 21.034 20.474 19.925 19.389 93.482 85.438 78.515 72.507 67.241 62.584 58.431 54.700 51.324 48.250 45.435 42.842 40.443 38.214 36.133 32.349 31.644 30.955 30.281 29.620 28.973 28.338 27.715 27.104 26.503 25.914 25.334 24.764 24.203 23.652 23.110 22.576 22.051 21.535 21.028 20.529 93.724 85.658 78.722 72.705 67.433 62.774 58.622 54.894 51.524 48.458 45.654 43.075 40.692 38.481 36.421 32.687 31.994 31.317 30.655 30.008 29.375 28.755 28.147 27.552 26.969 26.396 25.835 25.284 24.742 24.210 23.688 23.174 22.669 22.172 21.683 21.203 93.940 85.857 78.909 72.884 67.608 62.946 58.793 55.067 51.701 48.642 45.846 43.277 40.906 38.709 36.664 32.966 32.281 31.612 30.959 30.321 29.697 29.087 28.489 27.905 27.332 26.771 26.221 25.681 25.152 24.632 24.122 23.621 23.128 22.644 22.169 21.701 94.135 86.038 79.080 73.048 67.768 63.103 58.950 55.225 51.862 48.807 46.017 43.456 41.095 38.908 36.876 33.204 32.525 31.863 31.216 30.584 29.967 29.364 28.774 28.197 27.632 27.078 26.536 26.005 25.484 24.973 24.472 23.980 23.496 23.021 22.555 22.096 94.313 86.203 79.238 73.199 67.915 63.248 59.094 55.370 52.008 48.957 46.172 43.618 41.264 39.085 37.062 33.412 32.738 32.080 31.438 30.812 30.200 29.602 29.018 28.446 27.887 27.340 26.804 26.279 25.764 25.260 24.765 24.279 23.803 23.335 22.875 22.424 94.476 86.357 79.383 73.340 68.051 63.383 59.228 55.503 52.144 49.095 46.314 43.764 41.416 39.245 37.229 33.597 32.926 32.272 31.635 31.012 30.405 29.811 29.231 28.664 28.109 27.567 27.035 26.515 26.005 25.506 25.016 24.536 24.065 23.602 23.148 22.702 94.628 86.500 79.519 73.471 68.179 63.508 59.352 55.628 52.269 49.223 46.444 43.899 41.555 39.390 37.381 33.762 33.095 32.444 31.810 31.191 30.587 29.997 29.420 28.857 28.306 27.767 27.239 26.723 26.217 25.722 25.236 24.760 24.293 23.834 23.384 22.943 99999.999 86.634 79.646 73.593 68.298 63.626 59.469 55.744 52.386 49.341 46.565 44.023 41.683 39.523 37.519 33.913 33.248 32.600 31.968 31.352 30.750 30.163 29.590 29.029 28.481 27.945 27.421 26.908 26.405 25.913 25.431 24.958 24.494 24.039 23.592 23.154 EuH2PO4+2 EuH2PO4+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 3 1.000 1 1.000 27 1.000 57 -9.859 -9.448 -9.297 -9.302 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.859 -9.448 -9.297 -9.302 -9.416 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.859 -9.448 -9.297 -9.302 -9.416 -9.614 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.670 -9.269 -9.122 -9.126 -9.235 -9.422 -9.674 -9.981 -10.338 -10.745 -11.204 -11.723 -12.314 -13.007 -13.908 -14.913 -15.348 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.645 -9.245 -9.098 -9.103 -9.211 -9.397 -9.646 -9.950 -10.303 -10.705 -11.155 -11.659 -12.228 -12.885 -13.713 -14.744 -15.088 -15.509 -16.150 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.620 -9.221 -9.075 -9.079 -9.187 -9.372 -9.619 -9.920 -10.270 -10.665 -11.107 -11.599 -12.148 -12.772 -13.537 -14.592 -14.909 -15.257 -15.668 -16.209 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.596 -9.198 -9.053 -9.057 -9.163 -9.347 -9.593 -9.891 -10.237 -10.627 -11.062 -11.542 -12.073 -12.668 -13.378 -14.455 -14.754 -15.073 -15.422 -15.822 -16.311 -16.932 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.573 -9.176 -9.030 -9.034 -9.140 -9.323 -9.567 -9.862 -10.204 -10.590 -11.017 -11.487 -12.003 -12.573 -13.235 -14.329 -14.614 -14.914 -15.234 -15.582 -15.972 -16.425 -16.964 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.550 -9.153 -9.008 -9.012 -9.118 -9.299 -9.541 -9.834 -10.173 -10.554 -10.975 -11.435 -11.937 -12.485 -13.108 -14.214 -14.487 -14.773 -15.073 -15.392 -15.736 -16.116 -16.541 -17.026 -17.574 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.527 -9.131 -8.987 -8.990 -9.095 -9.276 -9.516 -9.807 -10.142 -10.519 -10.933 -11.386 -11.875 -12.405 -12.994 -14.106 -14.370 -14.643 -14.929 -15.229 -15.547 -15.886 -16.254 -16.657 -17.100 -17.587 -18.113 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.505 -9.110 -8.965 -8.969 -9.073 -9.253 -9.491 -9.780 -10.112 -10.484 -10.894 -11.338 -11.816 -12.331 -12.892 -14.005 -14.260 -14.524 -14.798 -15.084 -15.382 -15.697 -16.031 -16.387 -16.770 -17.181 -17.621 -18.086 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.484 -9.089 -8.944 -8.948 -9.052 -9.230 -9.467 -9.753 -10.082 -10.451 -10.855 -11.293 -11.762 -12.262 -12.802 -13.911 -14.158 -14.413 -14.678 -14.951 -15.236 -15.532 -15.843 -16.170 -16.515 -16.879 -17.264 -17.667 -18.085 -18.514 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.462 -9.068 -8.924 -8.927 -9.030 -9.208 -9.443 -9.727 -10.054 -10.418 -10.818 -11.249 -11.710 -12.199 -12.721 -13.821 -14.062 -14.310 -14.565 -14.829 -15.102 -15.385 -15.679 -15.985 -16.304 -16.638 -16.985 -17.346 -17.719 -18.101 -18.487 99999.999 99999.999 99999.999 99999.999 99999.999 -9.442 -9.047 -8.903 -8.906 -9.009 -9.186 -9.420 -9.702 -10.025 -10.386 -10.781 -11.207 -11.661 -12.141 -12.649 -13.736 -13.970 -14.212 -14.460 -14.715 -14.978 -15.250 -15.531 -15.821 -16.122 -16.433 -16.755 -17.088 -17.428 -17.776 -18.128 -18.480 -18.829 99999.999 99999.999 99999.999 -9.421 -9.027 -8.883 -8.886 -8.989 -9.164 -9.397 -9.677 -9.998 -10.355 -10.746 -11.166 -11.614 -12.086 -12.584 -13.654 -13.884 -14.119 -14.360 -14.608 -14.863 -15.125 -15.395 -15.673 -15.960 -16.255 -16.558 -16.869 -17.186 -17.509 -17.836 -18.162 -18.487 -18.805 99999.999 99999.999 -9.401 -9.007 -8.863 -8.866 -8.968 -9.143 -9.374 -9.652 -9.970 -10.325 -10.711 -11.127 -11.569 -12.035 -12.524 -13.577 -13.801 -14.031 -14.266 -14.507 -14.755 -15.009 -15.270 -15.537 -15.812 -16.094 -16.382 -16.677 -16.977 -17.282 -17.589 -17.896 -18.202 -18.504 -18.798 -19.082 -9.381 -8.987 -8.844 -8.847 -8.948 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-13.802 -13.969 -14.137 -14.307 -14.478 -14.650 -14.823 -14.997 -15.173 -15.349 -8.825 -8.389 -8.231 -8.224 -8.310 -8.461 -8.658 -8.890 -9.148 -9.427 -9.723 -10.033 -10.355 -10.687 -11.028 -11.729 -11.872 -12.016 -12.161 -12.307 -12.453 -12.601 -12.749 -12.898 -13.049 -13.200 -13.352 -13.505 -13.659 -13.814 -13.969 -14.126 -14.284 -14.443 -14.603 -14.763 -8.734 -8.279 -8.115 -8.103 -8.186 -8.333 -8.525 -8.751 -9.001 -9.270 -9.554 -9.851 -10.158 -10.474 -10.796 -11.458 -11.593 -11.728 -11.864 -12.001 -12.138 -12.276 -12.415 -12.554 -12.694 -12.835 -12.976 -13.119 -13.261 -13.405 -13.550 -13.695 -13.841 -13.988 -14.136 -14.285 -8.654 -8.179 -8.009 -7.993 -8.072 -8.215 -8.403 -8.623 -8.866 -9.128 -9.403 -9.688 -9.983 -10.284 -10.592 -11.221 -11.349 -11.477 -11.606 -11.735 -11.865 -11.996 -12.126 -12.258 -12.390 -12.522 -12.656 -12.789 -12.924 -13.059 -13.194 -13.331 -13.468 -13.606 -13.744 -13.883 -8.585 -8.089 -7.910 -7.890 -7.966 -8.105 -8.289 -8.505 -8.743 -8.997 -9.264 -9.541 -9.825 -10.115 -10.410 -11.012 -11.134 -11.256 -11.379 -11.502 -11.626 -11.750 -11.874 -11.999 -12.125 -12.250 -12.377 -12.504 -12.631 -12.759 -12.888 -13.017 -13.147 -13.277 -13.408 -13.540 99999.999 -8.005 -7.819 -7.795 -7.867 -8.003 -8.183 -8.394 -8.627 -8.876 -9.137 -9.406 -9.681 -9.961 -10.246 -10.824 -10.941 -11.059 -11.176 -11.294 -11.413 -11.532 -11.651 -11.770 -11.890 -12.011 -12.131 -12.253 -12.374 -12.497 -12.619 -12.743 -12.867 -12.991 -13.116 -13.242 Gd+2 Gd(+2) P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 5 -1.125 1 -0.125 4 1.000 58 0.125 6 0.500 2 75.692 68.716 62.800 57.723 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.692 68.716 62.800 57.723 53.317 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.693 68.716 62.800 57.723 53.317 49.454 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.693 68.717 62.801 57.724 53.318 49.455 46.038 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.694 68.718 62.802 57.725 53.319 49.456 46.039 42.992 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.696 68.720 62.804 57.727 53.321 49.458 46.041 42.994 40.257 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.699 68.722 62.807 57.730 53.323 49.460 46.043 42.997 40.260 37.784 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.702 68.726 62.810 57.733 53.327 49.464 46.047 43.000 40.264 37.789 35.534 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.707 68.731 62.815 57.738 53.332 49.469 46.052 43.006 40.269 37.795 35.541 33.476 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.714 68.738 62.822 57.745 53.339 49.476 46.059 43.013 40.277 37.803 35.550 33.486 31.590 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.722 68.747 62.831 57.754 53.347 49.485 46.068 43.022 40.287 37.813 35.562 33.500 31.604 29.881 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.733 68.759 62.843 57.765 53.358 49.496 46.080 43.034 40.299 37.827 35.577 33.517 31.623 29.887 28.403 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.742 68.768 62.851 57.774 53.367 49.504 46.088 43.043 40.308 37.837 35.588 33.531 31.639 29.898 28.326 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.754 68.780 62.864 57.786 53.379 49.516 46.101 43.056 40.322 37.851 35.605 33.550 31.661 29.921 28.306 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.766 68.793 62.876 57.798 53.391 49.528 46.113 43.068 40.335 37.865 35.620 33.568 31.683 29.946 28.322 28.664 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.777 68.805 62.888 57.810 53.403 49.540 46.125 43.081 40.348 37.879 35.635 33.586 31.705 29.972 28.351 26.840 27.210 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.789 68.817 62.900 57.822 53.415 49.552 46.137 43.093 40.361 37.893 35.650 33.603 31.726 29.998 28.385 26.399 26.263 26.361 26.721 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.800 68.829 62.912 57.834 53.426 49.563 46.148 43.105 40.373 37.906 35.665 33.620 31.746 30.023 28.420 26.200 25.904 25.721 25.685 25.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.812 68.841 62.924 57.845 53.438 49.575 46.160 43.116 40.385 37.919 35.679 33.636 31.765 30.047 28.453 26.087 25.719 25.419 25.205 25.091 25.074 25.125 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.823 68.852 62.936 57.857 53.449 49.586 46.171 43.128 40.397 37.931 35.693 33.651 31.783 30.069 28.485 26.016 25.608 25.248 24.945 24.708 24.544 24.449 24.406 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.834 68.864 62.947 57.868 53.460 49.597 46.182 43.139 40.409 37.944 35.706 33.666 31.800 30.090 28.513 25.969 25.536 25.140 24.787 24.481 24.229 24.032 23.887 23.782 23.702 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.844 68.875 62.959 57.879 53.471 49.608 46.193 43.151 40.421 37.956 35.719 33.680 31.816 30.109 28.538 25.938 25.488 25.068 24.683 24.335 24.028 23.765 23.545 23.366 23.221 23.099 22.990 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.855 68.887 62.970 57.890 53.482 49.619 46.204 43.162 40.432 37.968 35.732 33.694 31.831 30.126 28.559 25.916 25.454 25.019 24.612 24.236 23.893 23.585 23.314 23.079 22.878 22.704 22.553 22.417 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.866 68.898 62.981 57.901 53.493 49.630 46.215 43.173 40.444 37.980 35.744 33.707 31.846 30.141 28.578 25.902 25.431 24.984 24.561 24.166 23.798 23.460 23.153 22.877 22.631 22.414 22.221 22.049 21.893 21.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.876 68.909 62.992 57.912 53.503 49.640 46.226 43.184 40.455 37.991 35.756 33.720 31.859 30.155 28.594 25.893 25.415 24.959 24.525 24.116 23.730 23.371 23.037 22.731 22.452 22.199 21.971 21.765 21.577 21.406 21.248 99999.999 99999.999 99999.999 99999.999 99999.999 75.886 68.920 63.003 57.923 53.514 49.651 46.236 43.194 40.466 38.003 35.768 33.732 31.872 30.168 28.607 25.888 25.404 24.941 24.499 24.079 23.680 23.305 22.952 22.624 22.319 22.039 21.781 21.546 21.330 21.132 20.949 20.781 20.625 99999.999 99999.999 99999.999 75.896 68.931 63.014 57.934 53.525 49.661 46.246 43.205 40.477 38.014 35.780 33.745 31.884 30.180 28.618 25.885 25.398 24.929 24.481 24.052 23.643 23.255 22.889 22.543 22.219 21.917 21.637 21.376 21.136 20.913 20.708 20.517 20.340 20.177 99999.999 99999.999 75.907 68.942 63.025 57.944 53.535 49.671 46.257 43.215 40.487 38.025 35.792 33.756 31.896 30.192 28.629 25.885 25.394 24.921 24.468 24.032 23.616 23.218 22.840 22.482 22.143 21.824 21.525 21.245 20.983 20.740 20.513 20.301 20.105 19.922 19.752 19.594 75.917 68.952 63.035 57.955 53.545 49.682 46.267 43.226 40.498 38.036 35.803 33.768 31.907 30.203 28.638 25.887 25.393 24.917 24.459 24.018 23.595 23.191 22.804 22.435 22.084 21.752 21.438 21.142 20.863 20.601 20.356 20.126 19.911 19.710 19.522 19.346 76.011 69.054 63.137 58.054 53.643 49.778 46.363 43.323 40.597 38.138 35.908 33.876 32.017 30.310 28.740 25.953 25.446 24.955 24.478 24.016 23.567 23.132 22.710 22.301 21.904 21.519 21.146 20.784 20.433 20.094 19.765 19.446 19.138 18.840 18.552 18.273 76.096 69.148 63.231 58.147 53.734 49.868 46.452 43.411 40.686 38.229 36.002 33.972 32.115 30.410 28.840 26.045 25.535 25.040 24.559 24.091 23.637 23.195 22.766 22.347 21.941 21.544 21.159 20.783 20.417 20.061 19.713 19.374 19.044 18.722 18.408 18.101 76.175 69.236 63.320 58.234 53.819 49.951 46.534 43.493 40.769 38.313 36.087 34.060 32.205 30.502 28.932 26.138 25.627 25.131 24.649 24.180 23.724 23.280 22.848 22.428 22.018 21.619 21.230 20.850 20.480 20.118 19.765 19.421 19.084 18.755 18.433 18.119 76.249 69.318 63.404 58.317 53.900 50.030 46.612 43.570 40.845 38.390 36.165 34.140 32.287 30.586 29.018 26.225 25.715 25.219 24.737 24.268 23.812 23.368 22.935 22.514 22.104 21.704 21.313 20.933 20.561 20.198 19.844 19.498 19.159 18.828 18.505 18.188 76.319 69.398 63.484 58.395 53.977 50.105 46.685 43.643 40.917 38.462 36.238 34.214 32.363 30.663 29.097 26.307 25.797 25.302 24.820 24.351 23.895 23.452 23.019 22.598 22.188 21.788 21.398 21.017 20.645 20.282 19.928 19.581 19.243 18.911 18.587 18.270 76.385 69.473 63.560 58.471 54.051 50.177 46.756 43.712 40.986 38.531 36.307 34.283 32.433 30.735 29.170 26.383 25.874 25.379 24.898 24.430 23.974 23.531 23.099 22.678 22.268 21.869 21.479 21.098 20.727 20.364 20.010 19.664 19.326 18.995 18.671 18.354 76.449 69.547 63.635 58.544 54.122 50.247 46.824 43.779 41.052 38.596 36.372 34.349 32.499 30.802 29.239 26.455 25.946 25.451 24.970 24.503 24.048 23.605 23.174 22.754 22.344 21.945 21.555 21.175 20.805 20.442 20.089 19.743 19.405 19.074 18.751 18.435 99999.999 69.618 63.707 58.615 54.192 50.315 46.890 43.843 41.115 38.658 36.434 34.411 32.562 30.866 29.303 26.521 26.013 25.519 25.039 24.571 24.117 23.675 23.244 22.824 22.415 22.016 21.627 21.248 20.877 20.516 20.162 19.817 19.480 19.150 18.827 18.511 Gd+4 Gd(+4) P-T:All Charge = 4. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 5 1.125 1 0.125 4 1.000 58 -0.125 6 -0.500 2 131.358 121.280 112.688 105.283 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.358 121.280 112.688 105.283 98.835 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.357 121.279 112.688 105.282 98.835 93.172 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.357 121.279 112.687 105.282 98.835 93.171 88.158 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.357 121.279 112.687 105.282 98.834 93.171 88.158 83.690 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.357 121.278 112.686 105.281 98.834 93.170 88.157 83.689 79.683 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.356 121.278 112.686 105.280 98.833 93.169 88.155 83.687 79.682 76.072 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.355 121.277 112.684 105.279 98.831 93.167 88.153 83.685 79.679 76.069 72.803 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.354 121.275 112.683 105.277 98.829 93.165 88.151 83.682 79.675 76.065 72.797 69.830 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.353 121.273 112.681 105.275 98.827 93.162 88.147 83.678 79.671 76.059 72.790 69.821 67.103 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.351 121.271 112.678 105.272 98.823 93.158 88.143 83.673 79.664 76.052 72.781 69.810 67.093 64.552 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.348 121.268 112.675 105.268 98.819 93.153 88.137 83.666 79.657 76.042 72.770 69.796 67.078 64.560 62.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.347 121.266 112.672 105.265 98.816 93.150 88.133 83.661 79.651 76.035 72.761 69.784 67.064 64.555 62.165 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.344 121.262 112.668 105.261 98.811 93.144 88.127 83.654 79.643 76.025 72.749 69.769 67.044 64.538 62.220 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.342 121.259 112.665 105.257 98.807 93.139 88.121 83.647 79.635 76.016 72.737 69.753 67.024 64.516 62.218 53.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.339 121.256 112.661 105.253 98.802 93.134 88.115 83.641 79.627 76.007 72.726 69.738 67.005 64.491 62.194 56.001 53.818 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.337 121.253 112.657 105.249 98.798 93.129 88.110 83.634 79.619 75.998 72.715 69.724 66.986 64.467 62.161 56.704 55.338 53.635 51.519 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.335 121.250 112.654 105.245 98.794 93.125 88.104 83.628 79.612 75.989 72.704 69.710 66.968 64.443 62.126 57.029 55.915 54.665 53.216 51.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.333 121.247 112.651 105.242 98.790 93.120 88.099 83.622 79.605 75.981 72.694 69.697 66.951 64.420 62.091 57.219 56.219 55.154 53.994 52.709 51.294 49.787 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.331 121.244 112.648 105.238 98.786 93.116 88.094 83.616 79.598 75.972 72.684 69.685 66.935 64.399 62.059 57.342 56.405 55.436 54.418 53.331 52.164 50.914 49.605 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.329 121.241 112.644 105.235 98.782 93.111 88.089 83.610 79.591 75.964 72.674 69.674 66.921 64.381 62.031 57.427 56.530 55.617 54.679 53.704 52.681 51.603 50.471 49.299 48.110 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.327 121.239 112.641 105.231 98.778 93.107 88.084 83.604 79.584 75.957 72.665 69.663 66.908 64.364 62.007 57.488 56.618 55.742 54.855 53.947 53.013 52.043 51.037 49.994 48.925 47.841 46.758 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.325 121.236 112.638 105.228 98.774 93.102 88.079 83.598 79.578 75.949 72.657 69.653 66.896 64.350 61.987 57.533 56.682 55.832 54.979 54.116 53.239 52.341 51.419 50.472 49.500 48.510 47.509 46.507 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.323 121.234 112.635 105.224 98.770 93.098 88.074 83.593 79.571 75.942 72.648 69.643 66.885 64.337 61.971 57.567 56.730 55.899 55.069 54.238 53.400 52.551 51.689 50.809 49.911 48.998 48.071 47.137 46.201 45.267 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.322 121.231 112.632 105.221 98.767 93.094 88.069 83.588 79.565 75.935 72.640 69.634 66.875 64.327 61.958 57.593 56.767 55.949 55.138 54.329 53.519 52.705 51.885 51.054 50.212 49.358 48.493 47.619 46.740 45.859 44.979 99999.999 99999.999 99999.999 99999.999 99999.999 131.320 121.229 112.629 105.218 98.763 93.090 88.065 83.582 79.559 75.928 72.632 69.625 66.866 64.317 61.949 57.612 56.794 55.988 55.190 54.398 53.609 52.821 52.031 51.237 50.436 49.628 48.812 47.989 47.161 46.328 45.495 44.661 43.830 99999.999 99999.999 99999.999 131.319 121.226 112.627 105.215 98.760 93.086 88.060 83.577 79.553 75.921 72.625 69.617 66.857 64.309 61.942 57.627 56.816 56.018 55.230 54.452 53.679 52.911 52.144 51.377 50.608 49.835 49.058 48.276 47.489 46.700 45.908 45.115 44.323 43.532 99999.999 99999.999 131.317 121.224 112.624 105.212 98.756 93.082 88.056 83.572 79.547 75.914 72.617 69.609 66.849 64.302 61.937 57.637 56.832 56.041 55.262 54.494 53.734 52.980 52.231 51.485 50.741 49.995 49.249 48.500 47.748 46.995 46.240 45.484 44.727 43.971 43.216 42.462 131.316 121.222 112.621 105.209 98.753 93.079 88.052 83.567 79.542 75.908 72.610 69.601 66.841 64.295 61.932 57.645 56.844 56.059 55.287 54.527 53.777 53.035 52.301 51.571 50.845 50.122 49.399 48.677 47.954 47.231 46.507 45.783 45.059 44.335 43.612 42.890 131.305 121.202 112.597 105.181 98.722 93.044 88.013 83.523 79.491 75.850 72.545 69.530 66.767 64.223 61.869 57.639 56.859 56.098 55.356 54.631 53.922 53.229 52.551 51.887 51.236 50.597 49.970 49.354 48.748 48.152 47.565 46.987 46.417 45.854 45.298 44.750 131.299 121.186 112.577 105.158 98.696 93.015 87.981 83.486 79.449 75.802 72.491 69.470 66.702 64.155 61.801 57.583 56.807 56.052 55.317 54.600 53.901 53.219 52.553 51.903 51.268 50.648 50.041 49.448 48.867 48.298 47.742 47.196 46.662 46.138 45.624 45.119 131.297 121.174 112.560 105.138 98.673 92.990 87.952 83.455 79.413 75.762 72.445 69.419 66.646 64.094 61.737 57.518 56.743 55.990 55.256 54.541 53.845 53.166 52.504 51.858 51.228 50.612 50.011 49.424 48.851 48.291 47.743 47.207 46.683 46.170 45.668 45.177 131.298 121.164 112.545 105.120 98.654 92.968 87.928 83.427 79.383 75.727 72.406 69.375 66.597 64.040 61.679 57.455 56.680 55.926 55.192 54.478 53.781 53.103 52.442 51.797 51.167 50.553 49.954 49.369 48.798 48.239 47.694 47.161 46.640 46.131 45.632 45.145 131.301 121.157 112.533 105.105 98.636 92.948 87.906 83.403 79.355 75.696 72.372 69.337 66.554 63.993 61.628 57.398 56.622 55.867 55.132 54.416 53.720 53.041 52.379 51.734 51.104 50.490 49.891 49.306 48.734 48.176 47.631 47.099 46.578 46.069 45.572 45.085 131.306 121.150 112.522 105.091 98.620 92.931 87.886 83.381 79.331 75.670 72.342 69.303 66.517 63.952 61.583 57.345 56.568 55.812 55.076 54.360 53.662 52.982 52.319 51.673 51.043 50.428 49.828 49.243 48.671 48.112 47.567 47.034 46.513 46.003 45.505 45.018 131.312 121.145 112.513 105.079 98.606 92.915 87.868 83.361 79.309 75.645 72.315 69.273 66.484 63.916 61.543 57.298 56.520 55.763 55.026 54.308 53.609 52.928 52.264 51.617 50.986 50.370 49.770 49.183 48.610 48.051 47.504 46.970 46.449 45.939 45.440 44.952 99999.999 121.141 112.504 105.069 98.593 92.900 87.852 83.343 79.290 75.624 72.291 69.247 66.454 63.883 61.507 57.256 56.477 55.718 54.980 54.261 53.561 52.879 52.214 51.566 50.934 50.317 49.715 49.128 48.554 47.994 47.446 46.912 46.389 45.878 45.378 44.889 GdCO3+ GdCO3+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 3 -1.000 1 1.000 5 1.000 58 2.420 2.479 2.555 2.640 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.420 2.479 2.555 2.640 2.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.420 2.479 2.555 2.640 2.724 2.803 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.419 2.479 2.555 2.639 2.724 2.803 2.871 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.419 2.478 2.555 2.639 2.724 2.803 2.871 2.923 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.419 2.477 2.554 2.638 2.724 2.803 2.871 2.924 2.954 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.418 2.476 2.553 2.638 2.723 2.803 2.872 2.925 2.956 2.958 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.416 2.475 2.551 2.636 2.722 2.803 2.872 2.926 2.959 2.963 2.925 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.415 2.472 2.549 2.635 2.721 2.802 2.873 2.928 2.963 2.969 2.935 2.842 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.412 2.469 2.546 2.632 2.720 2.802 2.874 2.931 2.967 2.977 2.948 2.863 2.693 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.409 2.465 2.542 2.629 2.718 2.801 2.875 2.934 2.973 2.987 2.964 2.890 2.737 2.451 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.404 2.460 2.537 2.625 2.715 2.800 2.876 2.938 2.981 2.999 2.984 2.922 2.790 2.544 2.026 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.401 2.455 2.533 2.621 2.712 2.799 2.876 2.940 2.986 3.008 2.998 2.945 2.828 2.610 2.162 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.395 2.448 2.527 2.616 2.709 2.797 2.877 2.944 2.993 3.020 3.018 2.976 2.878 2.694 2.324 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.389 2.441 2.520 2.611 2.705 2.795 2.877 2.946 2.999 3.031 3.036 3.004 2.924 2.770 2.461 1.639 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.382 2.434 2.513 2.605 2.700 2.793 2.877 2.949 3.005 3.041 3.052 3.031 2.966 2.838 2.582 2.300 1.934 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.376 2.427 2.507 2.599 2.696 2.790 2.876 2.951 3.010 3.051 3.068 3.055 3.005 2.899 2.688 2.489 2.312 2.026 1.510 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.369 2.419 2.499 2.593 2.691 2.787 2.875 2.953 3.015 3.060 3.082 3.078 3.040 2.955 2.782 2.615 2.491 2.323 2.078 1.702 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.361 2.411 2.492 2.587 2.687 2.784 2.874 2.954 3.020 3.068 3.096 3.099 3.072 3.004 2.866 2.713 2.616 2.493 2.334 2.116 1.813 1.394 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.354 2.403 2.485 2.581 2.681 2.780 2.873 2.955 3.024 3.076 3.108 3.118 3.101 3.049 2.939 2.795 2.715 2.618 2.498 2.346 2.149 1.892 1.559 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.346 2.394 2.477 2.574 2.676 2.777 2.871 2.956 3.027 3.082 3.120 3.136 3.128 3.089 3.004 2.866 2.799 2.719 2.622 2.505 2.360 2.180 1.956 1.679 1.348 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.337 2.386 2.469 2.567 2.671 2.773 2.869 2.956 3.030 3.089 3.130 3.152 3.152 3.125 3.060 2.930 2.872 2.804 2.724 2.628 2.514 2.377 2.211 2.013 1.776 1.502 1.193 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.329 2.377 2.461 2.560 2.665 2.769 2.867 2.956 3.033 3.095 3.140 3.167 3.174 3.158 3.109 2.987 2.937 2.879 2.810 2.730 2.636 2.526 2.396 2.243 2.065 1.860 1.628 1.372 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.320 2.368 2.453 2.553 2.659 2.765 2.865 2.956 3.035 3.100 3.149 3.181 3.194 3.186 3.152 3.039 2.996 2.945 2.886 2.818 2.738 2.646 2.540 2.417 2.277 2.116 1.936 1.736 1.520 1.290 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.311 2.359 2.444 2.546 2.653 2.760 2.862 2.956 3.037 3.105 3.158 3.194 3.213 3.212 3.189 3.087 3.049 3.005 2.954 2.895 2.827 2.748 2.659 2.557 2.442 2.312 2.167 2.007 1.833 1.648 1.454 99999.999 99999.999 99999.999 99999.999 99999.999 2.302 2.349 2.435 2.538 2.647 2.756 2.860 2.955 3.039 3.110 3.166 3.206 3.229 3.235 3.221 3.131 3.099 3.060 3.016 2.964 2.905 2.837 2.761 2.674 2.577 2.469 2.349 2.217 2.074 1.922 1.762 1.597 1.429 99999.999 99999.999 99999.999 2.292 2.340 2.427 2.531 2.641 2.751 2.857 2.954 3.040 3.114 3.173 3.217 3.245 3.256 3.249 3.173 3.144 3.111 3.072 3.027 2.975 2.916 2.850 2.775 2.692 2.600 2.498 2.387 2.268 2.140 2.006 1.867 1.724 1.581 99999.999 99999.999 2.283 2.330 2.418 2.523 2.635 2.746 2.853 2.953 3.041 3.118 3.180 3.227 3.259 3.275 3.274 3.212 3.187 3.158 3.124 3.084 3.039 2.988 2.929 2.864 2.792 2.712 2.625 2.530 2.427 2.319 2.204 2.085 1.963 1.840 1.717 1.596 2.273 2.320 2.409 2.515 2.628 2.741 2.850 2.951 3.042 3.121 3.186 3.237 3.273 3.293 3.297 3.248 3.227 3.202 3.172 3.137 3.098 3.052 3.001 2.944 2.881 2.811 2.735 2.652 2.564 2.469 2.370 2.268 2.162 2.055 1.947 1.841 2.161 2.212 2.310 2.429 2.555 2.682 2.807 2.926 3.037 3.138 3.228 3.307 3.374 3.430 3.473 3.522 3.525 3.526 3.525 3.520 3.513 3.504 3.492 3.477 3.459 3.439 3.415 3.390 3.361 3.330 3.297 3.262 3.225 3.187 3.147 3.106 2.032 2.091 2.200 2.331 2.470 2.611 2.750 2.884 3.012 3.131 3.242 3.343 3.434 3.515 3.586 3.699 3.716 3.732 3.746 3.758 3.769 3.777 3.784 3.789 3.792 3.793 3.792 3.789 3.785 3.778 3.770 3.760 3.748 3.735 3.721 3.705 1.888 1.958 2.081 2.224 2.376 2.530 2.682 2.830 2.973 3.108 3.236 3.355 3.465 3.566 3.659 3.819 3.847 3.874 3.899 3.922 3.944 3.965 3.984 4.002 4.018 4.032 4.045 4.057 4.066 4.075 4.082 4.087 4.091 4.093 4.095 4.094 1.733 1.817 1.953 2.110 2.275 2.441 2.606 2.767 2.923 3.072 3.214 3.349 3.476 3.594 3.705 3.903 3.939 3.974 4.007 4.039 4.070 4.100 4.128 4.155 4.181 4.205 4.228 4.249 4.270 4.288 4.306 4.322 4.337 4.350 4.363 4.374 1.569 1.669 1.819 1.990 2.167 2.346 2.523 2.696 2.864 3.026 3.181 3.330 3.471 3.604 3.730 3.960 4.003 4.044 4.085 4.124 4.162 4.198 4.234 4.268 4.301 4.333 4.364 4.393 4.421 4.448 4.474 4.498 4.521 4.543 4.564 4.583 1.398 1.514 1.680 1.864 2.055 2.246 2.435 2.619 2.798 2.972 3.139 3.300 3.454 3.600 3.740 3.997 4.046 4.093 4.139 4.184 4.227 4.270 4.311 4.352 4.391 4.429 4.466 4.502 4.536 4.570 4.602 4.633 4.662 4.691 4.718 4.745 1.220 1.355 1.536 1.734 1.938 2.141 2.341 2.537 2.727 2.912 3.090 3.262 3.427 3.585 3.736 4.019 4.072 4.124 4.175 4.225 4.273 4.321 4.368 4.413 4.458 4.501 4.543 4.584 4.624 4.662 4.700 4.736 4.771 4.805 4.838 4.870 99999.999 1.192 1.388 1.600 1.817 2.033 2.244 2.450 2.651 2.846 3.034 3.216 3.392 3.561 3.723 4.027 4.084 4.141 4.196 4.251 4.304 4.356 4.407 4.457 4.506 4.554 4.600 4.646 4.690 4.733 4.775 4.816 4.856 4.894 4.932 4.968 GdHCO3+2 GdHCO3+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 2 1.000 5 1.000 58 -1.617 -1.699 -1.889 -2.133 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.617 -1.699 -1.889 -2.133 -2.409 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.617 -1.699 -1.889 -2.133 -2.409 -2.708 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.617 -1.699 -1.889 -2.132 -2.409 -2.708 -3.027 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.616 -1.698 -1.888 -2.132 -2.408 -2.707 -3.026 -3.364 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.615 -1.698 -1.888 -2.131 -2.407 -2.706 -3.025 -3.362 -3.719 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.614 -1.697 -1.887 -2.130 -2.406 -2.705 -3.023 -3.360 -3.716 -4.095 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.612 -1.696 -1.886 -2.129 -2.405 -2.703 -3.021 -3.356 -3.711 -4.089 -4.500 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.610 -1.694 -1.884 -2.127 -2.402 -2.700 -3.017 -3.352 -3.705 -4.081 -4.488 -4.943 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.607 -1.692 -1.882 -2.125 -2.400 -2.697 -3.012 -3.346 -3.697 -4.070 -4.473 -4.920 -5.431 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.604 -1.690 -1.880 -2.122 -2.396 -2.692 -3.006 -3.338 -3.687 -4.056 -4.454 -4.892 -5.388 -5.971 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.600 -1.687 -1.877 -2.119 -2.392 -2.687 -2.999 -3.328 -3.674 -4.039 -4.430 -4.858 -5.337 -5.894 -6.594 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.597 -1.685 -1.875 -2.116 -2.389 -2.682 -2.994 -3.321 -3.664 -4.026 -4.413 -4.832 -5.298 -5.837 -6.529 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.593 -1.682 -1.872 -2.113 -2.384 -2.677 -2.986 -3.311 -3.651 -4.009 -4.389 -4.797 -5.247 -5.759 -6.413 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.589 -1.679 -1.870 -2.110 -2.380 -2.671 -2.979 -3.301 -3.639 -3.992 -4.366 -4.765 -5.199 -5.686 -6.297 -5.810 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.586 -1.677 -1.868 -2.107 -2.377 -2.666 -2.972 -3.292 -3.627 -3.976 -4.344 -4.734 -5.154 -5.619 -6.188 -6.384 -6.285 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.583 -1.676 -1.866 -2.105 -2.373 -2.662 -2.966 -3.284 -3.615 -3.961 -4.324 -4.706 -5.113 -5.557 -6.087 -6.480 -6.540 -6.547 -6.556 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.581 -1.674 -1.864 -2.103 -2.370 -2.657 -2.960 -3.276 -3.605 -3.947 -4.304 -4.679 -5.075 -5.501 -5.995 -6.490 -6.599 -6.684 -6.744 -6.809 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.579 -1.673 -1.863 -2.101 -2.367 -2.653 -2.954 -3.268 -3.594 -3.933 -4.286 -4.654 -5.039 -5.449 -5.913 -6.474 -6.602 -6.718 -6.820 -6.911 -7.008 -7.143 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.577 -1.672 -1.862 -2.099 -2.365 -2.649 -2.949 -3.260 -3.584 -3.920 -4.269 -4.630 -5.007 -5.402 -5.839 -6.447 -6.584 -6.714 -6.836 -6.950 -7.060 -7.176 -7.314 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.576 -1.671 -1.861 -2.098 -2.362 -2.646 -2.944 -3.253 -3.575 -3.908 -4.252 -4.608 -4.976 -5.360 -5.773 -6.415 -6.556 -6.693 -6.826 -6.953 -7.076 -7.197 -7.324 -7.465 -7.629 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.575 -1.671 -1.860 -2.097 -2.360 -2.643 -2.939 -3.247 -3.566 -3.896 -4.237 -4.587 -4.949 -5.321 -5.716 -6.382 -6.524 -6.665 -6.802 -6.937 -7.068 -7.197 -7.325 -7.458 -7.600 -7.755 -7.926 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.575 -1.671 -1.860 -2.096 -2.358 -2.640 -2.934 -3.240 -3.557 -3.885 -4.222 -4.568 -4.923 -5.287 -5.666 -6.348 -6.491 -6.632 -6.772 -6.911 -7.047 -7.181 -7.313 -7.446 -7.582 -7.723 -7.871 -8.028 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.574 -1.671 -1.860 -2.095 -2.357 -2.637 -2.930 -3.234 -3.549 -3.874 -4.208 -4.550 -4.899 -5.256 -5.623 -6.314 -6.456 -6.598 -6.739 -6.880 -7.018 -7.155 -7.291 -7.426 -7.561 -7.698 -7.837 -7.979 -8.125 -8.273 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.574 -1.672 -1.860 -2.094 -2.355 -2.634 -2.926 -3.229 -3.541 -3.863 -4.194 -4.533 -4.878 -5.228 -5.585 -6.281 -6.422 -6.564 -6.705 -6.846 -6.986 -7.124 -7.262 -7.399 -7.535 -7.671 -7.807 -7.943 -8.081 -8.218 -8.355 99999.999 99999.999 99999.999 99999.999 99999.999 -1.575 -1.672 -1.860 -2.094 -2.354 -2.632 -2.922 -3.223 -3.534 -3.853 -4.181 -4.516 -4.857 -5.203 -5.553 -6.248 -6.389 -6.530 -6.670 -6.811 -6.951 -7.090 -7.229 -7.367 -7.504 -7.640 -7.775 -7.910 -8.044 -8.176 -8.307 -8.434 -8.557 99999.999 99999.999 99999.999 -1.576 -1.673 -1.861 -2.094 -2.353 -2.630 -2.919 -3.218 -3.527 -3.844 -4.169 -4.501 -4.838 -5.180 -5.524 -6.216 -6.356 -6.496 -6.636 -6.776 -6.915 -7.055 -7.194 -7.332 -7.470 -7.606 -7.742 -7.876 -8.008 -8.139 -8.267 -8.392 -8.512 -8.627 99999.999 99999.999 -1.576 -1.674 -1.862 -2.094 -2.352 -2.628 -2.916 -3.213 -3.520 -3.835 -4.158 -4.487 -4.821 -5.158 -5.499 -6.186 -6.324 -6.463 -6.602 -6.741 -6.880 -7.019 -7.157 -7.296 -7.433 -7.570 -7.706 -7.840 -7.972 -8.103 -8.230 -8.355 -8.474 -8.589 -8.697 -8.797 -1.578 -1.676 -1.863 -2.094 -2.352 -2.626 -2.913 -3.209 -3.513 -3.826 -4.146 -4.473 -4.804 -5.138 -5.475 -6.156 -6.293 -6.430 -6.568 -6.706 -6.844 -6.982 -7.120 -7.258 -7.396 -7.532 -7.668 -7.803 -7.935 -8.066 -8.194 -8.318 -8.439 -8.554 -8.664 -8.767 -1.605 -1.701 -1.882 -2.107 -2.355 -2.619 -2.894 -3.175 -3.464 -3.757 -4.056 -4.358 -4.664 -4.972 -5.281 -5.903 -6.027 -6.153 -6.278 -6.404 -6.530 -6.656 -6.783 -6.910 -7.037 -7.165 -7.292 -7.420 -7.548 -7.675 -7.802 -7.928 -8.053 -8.177 -8.300 -8.421 -1.654 -1.744 -1.917 -2.133 -2.373 -2.628 -2.891 -3.161 -3.435 -3.713 -3.995 -4.278 -4.564 -4.851 -5.139 -5.714 -5.829 -5.944 -6.059 -6.175 -6.290 -6.406 -6.522 -6.638 -6.754 -6.871 -6.988 -7.105 -7.222 -7.340 -7.457 -7.575 -7.693 -7.810 -7.928 -8.046 -1.720 -1.800 -1.965 -2.172 -2.403 -2.648 -2.902 -3.160 -3.423 -3.688 -3.955 -4.223 -4.492 -4.762 -5.032 -5.569 -5.677 -5.784 -5.891 -5.998 -6.105 -6.213 -6.320 -6.427 -6.535 -6.642 -6.750 -6.858 -6.966 -7.075 -7.183 -7.292 -7.401 -7.510 -7.619 -7.729 -1.801 -1.868 -2.022 -2.220 -2.442 -2.678 -2.922 -3.171 -3.423 -3.677 -3.931 -4.186 -4.441 -4.696 -4.951 -5.457 -5.558 -5.659 -5.759 -5.860 -5.960 -6.060 -6.161 -6.261 -6.361 -6.461 -6.562 -6.662 -6.763 -6.864 -6.965 -7.066 -7.167 -7.269 -7.370 -7.472 -1.893 -1.945 -2.088 -2.276 -2.488 -2.715 -2.951 -3.191 -3.433 -3.676 -3.920 -4.163 -4.406 -4.649 -4.890 -5.370 -5.465 -5.560 -5.655 -5.750 -5.844 -5.939 -6.033 -6.128 -6.222 -6.316 -6.411 -6.505 -6.599 -6.694 -6.788 -6.883 -6.978 -7.073 -7.168 -7.264 -1.994 -2.030 -2.161 -2.339 -2.542 -2.760 -2.986 -3.218 -3.451 -3.685 -3.919 -4.152 -4.385 -4.616 -4.846 -5.301 -5.392 -5.482 -5.572 -5.662 -5.752 -5.841 -5.931 -6.020 -6.109 -6.199 -6.288 -6.377 -6.466 -6.555 -6.645 -6.734 -6.823 -6.913 -7.003 -7.093 -2.102 -2.121 -2.240 -2.407 -2.601 -2.810 -3.028 -3.251 -3.476 -3.701 -3.926 -4.150 -4.373 -4.594 -4.814 -5.249 -5.335 -5.421 -5.507 -5.593 -5.678 -5.763 -5.848 -5.933 -6.018 -6.103 -6.188 -6.272 -6.357 -6.442 -6.527 -6.612 -6.696 -6.782 -6.867 -6.952 99999.999 -2.217 -2.325 -2.481 -2.665 -2.865 -3.074 -3.289 -3.506 -3.724 -3.941 -4.156 -4.370 -4.582 -4.793 -5.209 -5.292 -5.374 -5.456 -5.538 -5.619 -5.701 -5.782 -5.863 -5.944 -6.025 -6.106 -6.187 -6.268 -6.349 -6.430 -6.511 -6.592 -6.673 -6.754 -6.836 GdOH+2 GdOH+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 3 -1.000 1 1.000 2 1.000 58 9.236 7.907 6.806 5.882 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.236 7.907 6.806 5.882 5.095 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.237 7.908 6.807 5.883 5.096 4.418 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.238 7.909 6.808 5.884 5.097 4.419 3.827 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.240 7.911 6.810 5.885 5.099 4.421 3.829 3.305 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.243 7.914 6.813 5.888 5.102 4.424 3.832 3.308 2.840 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.247 7.919 6.818 5.893 5.106 4.428 3.836 3.313 2.845 2.420 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.254 7.926 6.824 5.899 5.112 4.434 3.842 3.319 2.851 2.427 2.035 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.263 7.935 6.833 5.908 5.121 4.442 3.850 3.327 2.860 2.436 2.044 1.676 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.275 7.947 6.845 5.920 5.132 4.453 3.861 3.338 2.871 2.448 2.058 1.691 1.345 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.291 7.963 6.861 5.935 5.146 4.468 3.875 3.353 2.886 2.463 2.075 1.710 1.366 1.060 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.311 7.984 6.881 5.954 5.165 4.486 3.894 3.371 2.905 2.483 2.096 1.735 1.394 1.078 0.882 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.326 7.999 6.896 5.969 5.180 4.500 3.908 3.385 2.919 2.498 2.113 1.754 1.416 1.098 0.820 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.348 8.021 6.918 5.990 5.200 4.520 3.927 3.405 2.940 2.520 2.136 1.781 1.447 1.132 0.818 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.369 8.043 6.939 6.010 5.220 4.540 3.947 3.425 2.960 2.541 2.159 1.807 1.478 1.168 0.850 3.495 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.390 8.065 6.960 6.031 5.240 4.559 3.966 3.444 2.979 2.561 2.181 1.832 1.508 1.205 0.893 1.738 2.512 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.411 8.086 6.981 6.051 5.259 4.578 3.985 3.463 2.999 2.581 2.202 1.856 1.537 1.240 0.940 1.320 1.604 2.102 2.832 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.432 8.107 7.001 6.071 5.279 4.597 4.004 3.482 3.018 2.601 2.223 1.879 1.564 1.274 0.987 1.135 1.266 1.494 1.850 2.336 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.452 8.128 7.022 6.090 5.298 4.616 4.022 3.500 3.036 2.620 2.244 1.902 1.591 1.306 1.031 1.034 1.096 1.211 1.397 1.667 2.018 2.417 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.472 8.148 7.042 6.110 5.317 4.634 4.040 3.518 3.055 2.639 2.264 1.924 1.615 1.336 1.072 0.974 0.997 1.054 1.155 1.309 1.521 1.788 2.090 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.492 8.169 7.062 6.129 5.335 4.652 4.058 3.536 3.073 2.658 2.283 1.945 1.639 1.364 1.110 0.937 0.935 0.958 1.011 1.099 1.227 1.398 1.608 1.845 2.094 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.511 8.189 7.081 6.148 5.353 4.670 4.076 3.554 3.090 2.676 2.302 1.965 1.662 1.389 1.143 0.914 0.896 0.897 0.919 0.966 1.043 1.151 1.291 1.460 1.651 1.854 2.060 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.530 8.209 7.100 6.167 5.372 4.688 4.093 3.571 3.108 2.694 2.321 1.985 1.683 1.413 1.172 0.901 0.871 0.857 0.858 0.879 0.921 0.987 1.079 1.196 1.335 1.492 1.661 1.836 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.549 8.228 7.120 6.185 5.390 4.705 4.110 3.588 3.125 2.711 2.339 2.004 1.703 1.435 1.198 0.894 0.856 0.830 0.817 0.819 0.838 0.876 0.933 1.011 1.109 1.226 1.357 1.500 1.651 1.805 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.568 8.247 7.139 6.203 5.407 4.722 4.127 3.605 3.142 2.729 2.357 2.022 1.722 1.455 1.220 0.892 0.848 0.813 0.790 0.778 0.780 0.797 0.830 0.880 0.947 1.030 1.129 1.240 1.363 1.493 1.630 99999.999 99999.999 99999.999 99999.999 99999.999 9.587 8.267 7.157 6.222 5.425 4.740 4.144 3.622 3.159 2.746 2.374 2.040 1.741 1.474 1.240 0.893 0.844 0.803 0.772 0.750 0.740 0.741 0.756 0.785 0.828 0.885 0.957 1.041 1.137 1.243 1.358 1.479 1.607 99999.999 99999.999 99999.999 9.605 8.285 7.176 6.239 5.442 4.756 4.161 3.638 3.176 2.763 2.392 2.058 1.758 1.492 1.257 0.897 0.844 0.799 0.761 0.731 0.711 0.702 0.703 0.715 0.740 0.777 0.827 0.889 0.962 1.045 1.138 1.238 1.347 1.462 99999.999 99999.999 9.623 8.304 7.194 6.257 5.459 4.773 4.177 3.655 3.192 2.779 2.408 2.075 1.775 1.508 1.273 0.904 0.847 0.797 0.755 0.719 0.692 0.673 0.664 0.664 0.675 0.696 0.728 0.771 0.825 0.888 0.961 1.043 1.132 1.229 1.333 1.444 9.641 8.323 7.212 6.275 5.476 4.790 4.193 3.671 3.208 2.795 2.425 2.092 1.792 1.525 1.288 0.912 0.853 0.799 0.753 0.712 0.679 0.653 0.635 0.626 0.626 0.634 0.652 0.680 0.717 0.764 0.820 0.884 0.956 1.036 1.123 1.217 9.809 8.498 7.384 6.441 5.637 4.946 4.347 3.822 3.359 2.948 2.579 2.248 1.950 1.681 1.439 1.029 0.959 0.891 0.828 0.767 0.710 0.656 0.606 0.559 0.515 0.474 0.437 0.404 0.373 0.346 0.323 0.303 0.287 0.274 0.265 0.260 9.962 8.659 7.543 6.595 5.785 5.089 4.486 3.959 3.495 3.084 2.717 2.387 2.090 1.822 1.580 1.164 1.090 1.020 0.952 0.887 0.825 0.765 0.707 0.652 0.600 0.549 0.501 0.454 0.410 0.368 0.327 0.288 0.251 0.216 0.183 0.151 10.102 8.808 7.690 6.738 5.923 5.223 4.616 4.086 3.620 3.209 2.842 2.513 2.218 1.951 1.709 1.293 1.219 1.147 1.079 1.013 0.949 0.888 0.828 0.771 0.716 0.663 0.611 0.562 0.513 0.467 0.422 0.378 0.335 0.294 0.254 0.215 10.232 8.948 7.829 6.872 6.053 5.348 4.737 4.204 3.737 3.324 2.957 2.628 2.334 2.068 1.828 1.413 1.339 1.268 1.199 1.133 1.069 1.008 0.948 0.890 0.835 0.781 0.729 0.678 0.629 0.581 0.535 0.490 0.446 0.403 0.361 0.320 10.354 9.081 7.961 7.000 6.176 5.467 4.852 4.316 3.846 3.431 3.064 2.735 2.441 2.177 1.938 1.524 1.451 1.380 1.312 1.246 1.182 1.121 1.061 1.004 0.948 0.895 0.843 0.792 0.743 0.695 0.649 0.604 0.560 0.517 0.475 0.434 10.470 9.208 8.086 7.122 6.294 5.580 4.961 4.422 3.950 3.533 3.164 2.836 2.542 2.277 2.039 1.628 1.555 1.484 1.416 1.351 1.288 1.227 1.168 1.111 1.055 1.002 0.950 0.900 0.851 0.804 0.758 0.713 0.670 0.627 0.585 0.545 10.581 9.329 8.207 7.239 6.407 5.689 5.066 4.524 4.049 3.630 3.260 2.930 2.636 2.372 2.134 1.725 1.652 1.582 1.514 1.449 1.386 1.325 1.267 1.210 1.155 1.102 1.051 1.001 0.953 0.906 0.861 0.816 0.773 0.731 0.690 0.650 99999.999 9.447 8.324 7.352 6.516 5.794 5.168 4.622 4.144 3.723 3.351 3.020 2.726 2.461 2.224 1.815 1.743 1.673 1.606 1.541 1.478 1.418 1.360 1.303 1.249 1.196 1.145 1.096 1.048 1.002 0.957 0.913 0.870 0.829 0.788 0.748 GdO+ GdO+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 3 -2.000 1 1.000 2 1.000 58 18.798 16.337 14.340 12.689 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.798 16.337 14.340 12.689 11.304 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.799 16.338 14.341 12.690 11.305 10.126 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.800 16.339 14.342 12.691 11.306 10.127 9.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.802 16.341 14.344 12.693 11.308 10.129 9.114 8.228 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.805 16.345 14.347 12.697 11.311 10.133 9.117 8.231 7.448 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.811 16.350 14.353 12.702 11.316 10.138 9.122 8.236 7.454 6.751 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.818 16.357 14.360 12.709 11.323 10.145 9.129 8.244 7.462 6.760 6.118 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.828 16.367 14.370 12.718 11.333 10.154 9.139 8.254 7.472 6.772 6.132 5.534 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.841 16.381 14.383 12.731 11.346 10.167 9.152 8.268 7.487 6.788 6.150 5.555 4.994 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.859 16.399 14.400 12.748 11.362 10.184 9.169 8.285 7.506 6.808 6.174 5.583 5.026 4.520 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.881 16.421 14.422 12.770 11.384 10.205 9.191 8.308 7.529 6.834 6.203 5.619 5.069 4.553 4.186 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.898 16.438 14.439 12.786 11.400 10.222 9.208 8.325 7.548 6.854 6.226 5.646 5.102 4.587 4.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.922 16.463 14.463 12.810 11.423 10.245 9.231 8.349 7.573 6.882 6.257 5.684 5.149 4.641 4.125 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.946 16.487 14.487 12.833 11.446 10.267 9.254 8.373 7.598 6.909 6.288 5.720 5.194 4.697 4.182 7.733 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.969 16.511 14.510 12.856 11.468 10.290 9.277 8.397 7.623 6.936 6.318 5.756 5.238 4.753 4.253 5.356 6.388 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.992 16.534 14.534 12.879 11.491 10.312 9.300 8.420 7.647 6.961 6.347 5.789 5.280 4.807 4.328 4.791 5.162 5.819 6.770 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.015 16.558 14.556 12.901 11.513 10.334 9.322 8.442 7.671 6.987 6.375 5.822 5.320 4.858 4.402 4.544 4.707 5.002 5.467 6.097 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.038 16.581 14.579 12.923 11.534 10.355 9.343 8.465 7.694 7.012 6.402 5.853 5.358 4.906 4.471 4.412 4.481 4.623 4.861 5.210 5.661 6.165 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.060 16.603 14.601 12.945 11.555 10.377 9.365 8.487 7.717 7.036 6.428 5.884 5.394 4.951 4.535 4.335 4.352 4.416 4.539 4.734 5.005 5.345 5.725 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.082 16.626 14.623 12.966 11.577 10.397 9.386 8.508 7.739 7.060 6.454 5.912 5.427 4.992 4.592 4.289 4.273 4.291 4.350 4.456 4.617 4.833 5.098 5.395 5.701 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.103 16.648 14.645 12.987 11.597 10.418 9.407 8.529 7.761 7.083 6.479 5.940 5.459 5.030 4.643 4.262 4.225 4.213 4.231 4.283 4.375 4.509 4.684 4.897 5.135 5.385 5.635 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.125 16.669 14.666 13.008 11.618 10.439 9.427 8.550 7.783 7.106 6.504 5.967 5.489 5.065 4.688 4.248 4.196 4.164 4.154 4.171 4.217 4.296 4.408 4.553 4.726 4.922 5.130 5.344 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.146 16.691 14.687 13.029 11.638 10.459 9.447 8.571 7.804 7.128 6.528 5.993 5.517 5.097 4.727 4.243 4.180 4.133 4.104 4.096 4.111 4.151 4.219 4.313 4.435 4.579 4.742 4.919 5.104 5.294 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.166 16.712 14.708 13.049 11.658 10.479 9.467 8.591 7.826 7.150 6.551 6.018 5.544 5.126 4.760 4.244 4.172 4.114 4.072 4.046 4.039 4.052 4.087 4.145 4.225 4.327 4.449 4.588 4.740 4.902 5.071 99999.999 99999.999 99999.999 99999.999 99999.999 19.187 16.733 14.729 13.070 11.678 10.498 9.487 8.611 7.846 7.172 6.574 6.042 5.569 5.153 4.790 4.249 4.171 4.105 4.052 4.013 3.990 3.983 3.994 4.024 4.073 4.142 4.229 4.334 4.453 4.586 4.729 4.881 5.041 99999.999 99999.999 99999.999 19.207 16.754 14.750 13.090 11.698 10.518 9.506 8.631 7.867 7.193 6.596 6.065 5.594 5.178 4.815 4.258 4.175 4.103 4.041 3.992 3.956 3.935 3.928 3.937 3.962 4.005 4.064 4.139 4.230 4.334 4.450 4.577 4.714 4.861 99999.999 99999.999 19.227 16.775 14.770 13.110 11.717 10.537 9.526 8.651 7.887 7.214 6.618 6.088 5.617 5.202 4.838 4.270 4.183 4.105 4.037 3.981 3.935 3.902 3.881 3.874 3.881 3.903 3.939 3.991 4.056 4.135 4.226 4.330 4.444 4.568 4.702 4.845 19.247 16.795 14.790 13.129 11.736 10.556 9.545 8.670 7.906 7.234 6.639 6.110 5.640 5.225 4.860 4.284 4.193 4.111 4.039 3.975 3.922 3.880 3.848 3.829 3.821 3.827 3.845 3.877 3.921 3.979 4.048 4.129 4.221 4.324 4.436 4.559 19.433 16.989 14.981 13.315 11.918 10.735 9.723 8.850 8.091 7.425 6.837 6.316 5.852 5.440 5.074 4.466 4.362 4.264 4.171 4.084 4.001 3.924 3.852 3.785 3.722 3.665 3.613 3.565 3.523 3.486 3.454 3.426 3.404 3.388 3.376 3.370 19.600 17.165 15.156 13.486 12.085 10.899 9.885 9.012 8.255 7.593 7.011 6.496 6.039 5.632 5.270 4.662 4.556 4.456 4.360 4.268 4.181 4.098 4.018 3.943 3.871 3.802 3.737 3.675 3.616 3.560 3.507 3.456 3.409 3.364 3.321 3.281 19.754 17.329 15.318 13.645 12.240 11.050 10.035 9.161 8.405 7.745 7.167 6.657 6.205 5.804 5.447 4.845 4.740 4.640 4.545 4.453 4.366 4.282 4.202 4.125 4.052 3.981 3.913 3.848 3.786 3.726 3.669 3.613 3.560 3.508 3.459 3.411 19.896 17.482 15.471 13.794 12.385 11.192 10.174 9.299 8.543 7.885 7.309 6.802 6.355 5.958 5.606 5.013 4.910 4.811 4.717 4.626 4.540 4.457 4.378 4.302 4.229 4.159 4.092 4.027 3.965 3.905 3.848 3.792 3.738 3.686 3.635 3.586 20.029 17.627 15.615 13.935 12.522 11.326 10.305 9.429 8.672 8.014 7.440 6.936 6.492 6.099 5.751 5.166 5.064 4.967 4.874 4.786 4.701 4.619 4.542 4.467 4.395 4.327 4.261 4.198 4.137 4.078 4.021 3.967 3.914 3.863 3.813 3.765 20.156 17.765 15.753 14.069 12.653 11.453 10.430 9.551 8.793 8.135 7.562 7.060 6.619 6.229 5.884 5.307 5.206 5.111 5.019 4.932 4.849 4.769 4.692 4.619 4.549 4.482 4.418 4.356 4.296 4.239 4.184 4.131 4.079 4.030 3.982 3.935 20.276 17.898 15.885 14.198 12.779 11.576 10.549 9.668 8.909 8.250 7.677 7.176 6.736 6.349 6.007 5.436 5.337 5.243 5.153 5.067 4.985 4.906 4.831 4.760 4.691 4.625 4.562 4.502 4.444 4.388 4.334 4.283 4.233 4.185 4.138 4.093 99999.999 18.026 16.012 14.323 12.899 11.693 10.664 9.781 9.019 8.360 7.786 7.286 6.847 6.462 6.122 5.556 5.459 5.366 5.277 5.192 5.111 5.034 4.960 4.889 4.822 4.757 4.696 4.636 4.580 4.525 4.473 4.423 4.374 4.328 4.283 4.239 GdO2H,aq GdO2H(AQ) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 3.000 Ref: Shock07 3 -3.000 1 2.000 2 1.000 58 28.989 25.271 22.321 19.934 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.989 25.271 22.321 19.934 17.974 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.990 25.271 22.322 19.935 17.974 16.344 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.991 25.273 22.323 19.936 17.975 16.346 14.975 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.993 25.275 22.325 19.938 17.977 16.348 14.977 13.813 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.996 25.278 22.328 19.941 17.981 16.351 14.981 13.816 12.816 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.001 25.283 22.333 19.946 17.986 16.356 14.986 13.822 12.822 11.952 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.007 25.290 22.340 19.953 17.992 16.363 14.993 13.829 12.830 11.961 11.189 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.017 25.300 22.350 19.963 18.002 16.372 15.003 13.840 12.842 11.973 11.203 10.503 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.029 25.313 22.363 19.975 18.015 16.385 15.016 13.854 12.856 11.990 11.222 10.527 9.886 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.045 25.329 22.380 19.992 18.031 16.402 15.033 13.872 12.876 12.011 11.247 10.558 9.922 9.351 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.065 25.351 22.401 20.013 18.052 16.423 15.055 13.894 12.900 12.038 11.279 10.596 9.970 9.392 8.964 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.080 25.367 22.417 20.029 18.068 16.439 15.071 13.911 12.918 12.058 11.302 10.625 10.007 9.432 8.897 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.102 25.390 22.440 20.052 18.091 16.462 15.095 13.936 12.944 12.087 11.335 10.666 10.059 9.495 8.922 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.123 25.413 22.463 20.074 18.113 16.484 15.117 13.960 12.969 12.114 11.367 10.705 10.109 9.559 8.993 12.760 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.144 25.435 22.485 20.096 18.134 16.506 15.140 13.983 12.994 12.141 11.398 10.743 10.157 9.622 9.078 10.300 11.380 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.164 25.457 22.507 20.118 18.156 16.527 15.162 14.006 13.018 12.168 11.428 10.778 10.203 9.682 9.165 9.712 10.111 10.803 11.785 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.184 25.478 22.528 20.139 18.177 16.548 15.183 14.028 13.042 12.193 11.457 10.813 10.246 9.739 9.249 9.458 9.640 9.959 10.454 11.111 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.204 25.499 22.549 20.160 18.197 16.569 15.204 14.050 13.065 12.218 11.485 10.846 10.286 9.792 9.328 9.322 9.407 9.569 9.830 10.205 10.681 11.203 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.223 25.520 22.570 20.180 18.218 16.589 15.225 14.071 13.087 12.242 11.512 10.877 10.324 9.841 9.399 9.244 9.275 9.356 9.499 9.717 10.013 10.376 10.777 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.241 25.540 22.590 20.200 18.238 16.609 15.245 14.092 13.109 12.266 11.538 10.907 10.360 9.886 9.464 9.198 9.195 9.229 9.305 9.432 9.616 9.856 10.145 10.464 10.788 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.260 25.560 22.611 20.220 18.257 16.629 15.265 14.113 13.131 12.289 11.563 10.935 10.393 9.927 9.520 9.172 9.147 9.150 9.184 9.256 9.368 9.525 9.725 9.962 10.223 10.495 10.763 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.278 25.580 22.630 20.239 18.277 16.648 15.284 14.133 13.152 12.312 11.588 10.963 10.425 9.964 9.569 9.158 9.118 9.100 9.106 9.141 9.208 9.308 9.444 9.614 9.812 10.032 10.264 10.501 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.296 25.599 22.650 20.259 18.296 16.667 15.304 14.153 13.173 12.334 11.611 10.989 10.454 9.998 9.612 9.154 9.102 9.069 9.056 9.066 9.100 9.162 9.252 9.371 9.517 9.688 9.877 10.079 10.290 10.504 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.313 25.618 22.669 20.278 18.314 16.686 15.323 14.172 13.193 12.355 11.635 11.014 10.482 10.029 9.648 9.156 9.096 9.051 9.024 9.016 9.027 9.061 9.119 9.200 9.306 9.434 9.583 9.749 9.928 10.118 10.315 99999.999 99999.999 99999.999 99999.999 99999.999 29.330 25.637 22.688 20.296 18.333 16.704 15.341 14.191 13.213 12.376 11.657 11.038 10.507 10.056 9.679 9.162 9.096 9.043 9.005 8.983 8.978 8.992 9.025 9.078 9.152 9.247 9.361 9.493 9.641 9.803 9.975 10.158 10.350 99999.999 99999.999 99999.999 29.347 25.655 22.706 20.315 18.351 16.722 15.359 14.210 13.233 12.397 11.679 11.062 10.532 10.082 9.706 9.172 9.100 9.041 8.995 8.963 8.945 8.944 8.958 8.990 9.041 9.109 9.195 9.298 9.417 9.551 9.698 9.856 10.026 10.206 99999.999 99999.999 29.363 25.673 22.725 20.333 18.369 16.740 15.377 14.228 13.252 12.417 11.701 11.084 10.556 10.106 9.730 9.185 9.109 9.044 8.992 8.952 8.924 8.911 8.912 8.928 8.959 9.006 9.069 9.148 9.242 9.351 9.474 9.609 9.755 9.914 10.083 10.263 29.379 25.691 22.743 20.351 18.386 16.758 15.395 14.247 13.271 12.437 11.722 11.106 10.579 10.130 9.753 9.199 9.120 9.051 8.994 8.947 8.913 8.890 8.880 8.883 8.899 8.930 8.975 9.034 9.107 9.194 9.294 9.407 9.533 9.669 9.817 9.976 29.526 25.856 22.910 20.516 18.550 16.920 15.559 14.413 13.444 12.618 11.912 11.307 10.788 10.344 9.968 9.387 9.295 9.211 9.133 9.063 8.999 8.942 8.891 8.847 8.808 8.776 8.750 8.729 8.715 8.706 8.704 8.707 8.716 8.732 8.753 8.780 29.651 26.001 23.058 20.663 18.695 17.064 15.702 14.559 13.593 12.773 12.074 11.477 10.966 10.530 10.159 9.582 9.489 9.403 9.323 9.250 9.182 9.120 9.062 9.010 8.963 8.920 8.881 8.846 8.816 8.789 8.766 8.746 8.730 8.717 8.707 8.700 29.759 26.129 23.190 20.795 18.826 17.193 15.831 14.688 13.724 12.908 12.215 11.624 11.121 10.692 10.327 9.760 9.669 9.584 9.506 9.433 9.365 9.303 9.246 9.193 9.145 9.101 9.060 9.024 8.990 8.960 8.933 8.909 8.888 8.869 8.852 8.838 29.853 26.245 23.311 20.916 18.945 17.311 15.947 14.804 13.842 13.028 12.339 11.754 11.256 10.834 10.475 9.920 9.831 9.748 9.671 9.600 9.534 9.474 9.418 9.367 9.320 9.277 9.238 9.202 9.169 9.140 9.114 9.090 9.069 9.050 9.033 9.018 29.936 26.351 23.422 21.027 19.055 17.419 16.055 14.911 13.949 13.138 12.451 11.870 11.377 10.960 10.607 10.062 9.975 9.895 9.820 9.751 9.687 9.629 9.575 9.526 9.481 9.439 9.402 9.368 9.338 9.310 9.285 9.263 9.244 9.226 9.211 9.198 30.011 26.449 23.525 21.130 19.157 17.520 16.154 15.010 14.048 13.238 12.553 11.975 11.486 11.073 10.725 10.190 10.105 10.027 9.954 9.887 9.825 9.769 9.717 9.669 9.626 9.587 9.552 9.520 9.491 9.466 9.443 9.423 9.405 9.390 9.377 9.366 30.079 26.540 23.621 21.227 19.253 17.614 16.247 15.102 14.141 13.330 12.647 12.071 11.585 11.176 10.832 10.306 10.223 10.146 10.075 10.010 9.950 9.895 9.845 9.799 9.758 9.721 9.687 9.657 9.630 9.607 9.586 9.568 9.552 9.539 9.528 9.519 99999.999 26.626 23.713 21.319 19.343 17.703 16.335 15.189 14.227 13.417 12.735 12.160 11.676 11.270 10.930 10.411 10.329 10.254 10.185 10.121 10.063 10.010 9.961 9.917 9.878 9.842 9.810 9.782 9.757 9.735 9.716 9.700 9.686 9.674 9.665 9.658 GdO2- GdO2- P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 4.000 Ref: Shock07 3 -4.000 1 2.000 2 1.000 58 38.772 34.433 30.929 28.048 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.772 34.433 30.929 28.048 25.647 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.772 34.434 30.930 28.049 25.648 23.624 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.773 34.435 30.931 28.050 25.649 23.626 21.905 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.775 34.437 30.933 28.051 25.650 23.627 21.906 20.431 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.778 34.440 30.936 28.054 25.653 23.630 21.909 20.433 19.160 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.782 34.444 30.940 28.059 25.657 23.634 21.913 20.437 19.164 18.057 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.788 34.451 30.947 28.065 25.663 23.640 21.919 20.443 19.169 18.063 17.095 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.796 34.460 30.955 28.073 25.672 23.648 21.927 20.451 19.177 18.071 17.104 16.256 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.807 34.471 30.967 28.085 25.682 23.659 21.937 20.462 19.188 18.082 17.115 16.267 15.540 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.821 34.486 30.982 28.099 25.697 23.672 21.951 20.475 19.202 18.096 17.129 16.282 15.550 14.987 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.839 34.505 31.001 28.118 25.714 23.690 21.968 20.492 19.219 18.113 17.148 16.302 15.566 14.966 14.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.853 34.520 31.015 28.132 25.728 23.703 21.982 20.506 19.232 18.127 17.162 16.317 15.581 14.966 14.560 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.872 34.541 31.036 28.152 25.748 23.722 22.000 20.524 19.251 18.146 17.182 16.339 15.605 14.979 14.469 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.891 34.561 31.056 28.171 25.767 23.741 22.019 20.543 19.269 18.164 17.202 16.361 15.629 15.000 14.455 19.657 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.910 34.581 31.076 28.191 25.785 23.759 22.037 20.560 19.287 18.183 17.221 16.382 15.653 15.026 14.470 16.130 17.715 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.928 34.601 31.095 28.210 25.804 23.777 22.054 20.578 19.305 18.201 17.240 16.403 15.677 15.052 14.500 15.245 15.853 16.898 18.438 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.945 34.620 31.115 28.228 25.822 23.795 22.071 20.595 19.322 18.218 17.258 16.423 15.699 15.079 14.534 14.825 15.123 15.623 16.391 17.441 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.963 34.639 31.133 28.247 25.840 23.812 22.088 20.612 19.339 18.235 17.276 16.442 15.721 15.104 14.569 14.576 14.732 15.002 15.421 16.020 16.796 17.694 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.980 34.658 31.152 28.265 25.857 23.829 22.105 20.629 19.355 18.252 17.293 16.461 15.742 15.128 14.601 14.412 14.486 14.636 14.881 15.239 15.723 16.329 17.023 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.997 34.676 31.170 28.282 25.874 23.846 22.122 20.645 19.372 18.269 17.310 16.478 15.761 15.150 14.631 14.296 14.319 14.397 14.540 14.761 15.070 15.473 15.963 16.519 17.111 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.013 34.694 31.188 28.300 25.891 23.862 22.138 20.661 19.388 18.285 17.327 16.496 15.779 15.170 14.657 14.211 14.200 14.230 14.309 14.444 14.644 14.914 15.255 15.661 16.120 16.611 17.115 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.029 34.711 31.206 28.317 25.908 23.878 22.154 20.677 19.403 18.300 17.343 16.512 15.796 15.187 14.678 14.147 14.110 14.107 14.142 14.221 14.348 14.529 14.767 15.060 15.405 15.792 16.208 16.640 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.045 34.729 31.223 28.334 25.924 23.894 22.169 20.692 19.419 18.316 17.358 16.528 15.812 15.203 14.695 14.099 14.043 14.015 14.018 14.057 14.134 14.253 14.417 14.628 14.884 15.182 15.514 15.872 16.247 16.631 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.060 34.746 31.240 28.351 25.940 23.910 22.185 20.707 19.434 18.331 17.374 16.543 15.827 15.217 14.709 14.061 13.990 13.944 13.923 13.932 13.973 14.048 14.159 14.309 14.498 14.723 14.983 15.272 15.585 15.915 16.256 99999.999 99999.999 99999.999 99999.999 99999.999 39.075 34.763 31.257 28.367 25.956 23.925 22.200 20.722 19.449 18.346 17.388 16.557 15.840 15.229 14.719 14.032 13.949 13.888 13.850 13.836 13.849 13.891 13.963 14.067 14.204 14.374 14.575 14.804 15.059 15.335 15.628 15.934 16.250 99999.999 99999.999 99999.999 39.090 34.779 31.274 28.383 25.972 23.941 22.215 20.737 19.463 18.361 17.403 16.572 15.854 15.240 14.727 14.009 13.917 13.844 13.791 13.760 13.752 13.768 13.810 13.880 13.977 14.103 14.256 14.437 14.642 14.869 15.115 15.377 15.652 15.939 99999.999 99999.999 39.105 34.796 31.290 28.399 25.987 23.956 22.229 20.751 19.478 18.375 17.417 16.585 15.866 15.251 14.733 13.991 13.891 13.809 13.745 13.700 13.675 13.671 13.690 13.732 13.798 13.889 14.005 14.144 14.308 14.492 14.696 14.917 15.154 15.403 15.663 15.934 39.119 34.812 31.306 28.415 26.003 23.970 22.244 20.766 19.492 18.389 17.431 16.599 15.879 15.261 14.739 13.978 13.871 13.781 13.707 13.651 13.612 13.593 13.593 13.613 13.655 13.718 13.803 13.910 14.038 14.186 14.354 14.538 14.738 14.952 15.179 15.417 39.250 34.960 31.456 28.561 26.144 24.107 22.377 20.897 19.623 18.520 17.561 16.726 15.999 15.368 14.823 13.963 13.825 13.697 13.579 13.472 13.374 13.286 13.208 13.139 13.080 13.030 12.989 12.957 12.934 12.920 12.916 12.920 12.932 12.953 12.982 13.019 39.362 35.090 31.588 28.690 26.270 24.229 22.495 21.012 19.737 18.633 17.675 16.839 16.110 15.475 14.921 14.027 13.879 13.739 13.608 13.486 13.372 13.266 13.167 13.075 12.991 12.913 12.841 12.776 12.717 12.664 12.617 12.575 12.538 12.506 12.479 12.457 39.459 35.207 31.707 28.807 26.383 24.338 22.601 21.116 19.838 18.734 17.775 16.940 16.211 15.573 15.017 14.109 13.956 13.812 13.676 13.548 13.427 13.314 13.207 13.107 13.013 12.925 12.842 12.765 12.694 12.627 12.565 12.507 12.453 12.404 12.358 12.316 39.544 35.312 31.815 28.914 26.486 24.438 22.698 21.210 19.930 18.825 17.866 17.030 16.301 15.664 15.106 14.192 14.038 13.891 13.753 13.622 13.499 13.382 13.272 13.168 13.070 12.977 12.890 12.808 12.731 12.659 12.590 12.526 12.466 12.410 12.357 12.307 39.619 35.408 31.915 29.013 26.582 24.531 22.787 21.297 20.015 18.908 17.948 17.113 16.384 15.746 15.188 14.272 14.117 13.970 13.830 13.698 13.573 13.455 13.343 13.238 13.138 13.043 12.954 12.870 12.790 12.715 12.644 12.577 12.514 12.455 12.399 12.346 39.687 35.497 32.008 29.105 26.672 24.617 22.871 21.377 20.093 18.985 18.024 17.188 16.459 15.822 15.264 14.347 14.192 14.044 13.904 13.772 13.646 13.527 13.415 13.308 13.207 13.112 13.022 12.937 12.856 12.780 12.708 12.640 12.575 12.514 12.457 12.403 39.749 35.581 32.096 29.192 26.756 24.699 22.949 21.453 20.167 19.057 18.094 17.258 16.528 15.891 15.334 14.418 14.262 14.114 13.974 13.841 13.716 13.597 13.484 13.377 13.276 13.180 13.089 13.004 12.922 12.846 12.773 12.705 12.640 12.578 12.520 12.466 99999.999 35.660 32.179 29.274 26.836 24.776 23.024 21.525 20.237 19.124 18.161 17.323 16.593 15.956 15.399 14.483 14.327 14.180 14.040 13.907 13.781 13.662 13.549 13.442 13.341 13.245 13.154 13.068 12.987 12.910 12.837 12.769 12.704 12.642 12.584 12.529 GdNO3+2 GdNO3+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 6 -1.000 1 -1.000 2 -1.000 6 1.000 58 1.000 32 1.000 4 93.072 85.023 78.068 72.015 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.072 85.023 78.068 72.015 66.697 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.073 85.024 78.068 72.015 66.698 61.982 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.075 85.026 78.070 72.017 66.699 61.983 57.763 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.079 85.029 78.073 72.020 66.702 61.986 57.766 53.956 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.084 85.033 78.077 72.024 66.706 61.990 57.770 53.961 50.494 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.092 85.040 78.084 72.030 66.712 61.996 57.776 53.968 50.501 47.317 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.103 85.050 78.093 72.039 66.721 62.005 57.786 53.977 50.512 47.329 44.375 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.119 85.064 78.106 72.051 66.733 62.017 57.798 53.991 50.526 47.345 44.394 41.620 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.140 85.083 78.123 72.067 66.749 62.033 57.815 54.008 50.545 47.367 44.421 41.654 39.012 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.166 85.106 78.145 72.088 66.769 62.054 57.836 54.031 50.570 47.395 44.454 41.697 39.071 36.511 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.201 85.137 78.173 72.115 66.796 62.080 57.863 54.060 50.602 47.431 44.496 41.750 39.144 36.616 34.036 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.227 85.160 78.194 72.136 66.816 62.101 57.884 54.082 50.625 47.457 44.527 41.789 39.197 36.693 34.151 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.264 85.193 78.225 72.165 66.845 62.130 57.914 54.113 50.659 47.495 44.571 41.844 39.270 36.796 34.312 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.301 85.225 78.255 72.194 66.873 62.158 57.943 54.144 50.692 47.531 44.614 41.896 39.338 36.892 34.461 30.851 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.337 85.257 78.285 72.222 66.901 62.186 57.971 54.174 50.724 47.567 44.655 41.946 39.403 36.981 34.597 30.848 30.091 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.372 85.289 78.314 72.250 66.928 62.213 57.999 54.203 50.755 47.602 44.695 41.994 39.463 37.063 34.722 30.905 30.143 29.379 28.530 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.407 85.320 78.343 72.278 66.955 62.240 58.027 54.232 50.786 47.635 44.733 42.040 39.521 37.140 34.836 30.978 30.215 29.461 28.702 27.899 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.441 85.350 78.371 72.305 66.982 62.267 58.054 54.260 50.816 47.668 44.770 42.084 39.575 37.211 34.940 31.054 30.292 29.542 28.799 28.052 27.278 26.447 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.475 85.380 78.399 72.332 67.008 62.293 58.081 54.288 50.846 47.700 44.806 42.126 39.627 37.277 35.034 31.127 30.369 29.623 28.887 28.157 27.424 26.674 25.893 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.509 85.410 78.427 72.358 67.033 62.318 58.107 54.315 50.875 47.732 44.841 42.166 39.675 37.339 35.119 31.197 30.443 29.701 28.971 28.249 27.533 26.815 26.088 25.344 24.576 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.541 85.439 78.454 72.384 67.059 62.344 58.133 54.342 50.903 47.762 44.875 42.205 39.721 37.396 35.196 31.264 30.514 29.776 29.051 28.336 27.628 26.926 26.225 25.520 24.807 24.081 23.345 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.574 85.468 78.481 72.410 67.084 62.369 58.158 54.368 50.931 47.793 44.909 42.243 39.765 37.449 35.265 31.328 30.581 29.848 29.127 28.417 27.717 27.024 26.337 25.653 24.969 24.282 23.591 22.897 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.605 85.496 78.507 72.435 67.109 62.393 58.183 54.394 50.958 47.822 44.941 42.279 39.806 37.498 35.327 31.389 30.646 29.916 29.199 28.494 27.799 27.114 26.436 25.764 25.097 24.433 23.771 23.109 22.450 21.795 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.637 85.524 78.533 72.460 67.133 62.418 58.208 54.419 50.985 47.851 44.972 42.314 39.846 37.544 35.384 31.448 30.708 29.982 29.268 28.567 27.877 27.197 26.526 25.863 25.208 24.558 23.913 23.272 22.637 22.007 21.385 99999.999 99999.999 99999.999 99999.999 99999.999 93.667 85.552 78.559 72.485 67.157 62.441 58.232 54.444 51.012 47.879 45.003 42.348 39.884 37.587 35.435 31.505 30.768 30.044 29.334 28.637 27.951 27.276 26.610 25.954 25.306 24.666 24.033 23.406 22.787 22.174 21.570 20.976 20.393 99999.999 99999.999 99999.999 93.698 85.579 78.584 72.509 67.181 62.465 58.256 54.469 51.037 47.907 45.033 42.381 39.920 37.628 35.482 31.560 30.825 30.104 29.398 28.704 28.021 27.350 26.690 26.039 25.397 24.764 24.140 23.523 22.914 22.314 21.722 21.140 20.570 20.012 99999.999 99999.999 93.728 85.606 78.609 72.533 67.204 62.488 58.279 54.493 51.063 47.934 45.062 42.413 39.956 37.667 35.525 31.612 30.880 30.162 29.458 28.767 28.089 27.421 26.765 26.119 25.482 24.855 24.237 23.627 23.026 22.435 21.852 21.280 20.719 20.169 19.633 19.111 93.757 85.632 78.634 72.557 67.227 62.511 58.303 54.517 51.088 47.961 45.091 42.444 39.990 37.704 35.567 31.663 30.933 30.218 29.517 28.829 28.153 27.489 26.836 26.194 25.562 24.940 24.327 23.723 23.128 22.543 21.967 21.402 20.847 20.304 19.774 19.257 94.032 85.880 78.866 72.778 67.444 62.726 58.519 54.739 51.319 48.205 45.352 42.725 40.294 38.035 35.928 32.097 31.385 30.688 30.006 29.339 28.685 28.044 27.416 26.799 26.194 25.600 25.017 24.443 23.880 23.326 22.782 22.247 21.722 21.205 20.698 20.200 94.274 86.101 79.074 72.977 67.637 62.918 58.711 54.935 51.522 48.416 45.575 42.962 40.548 38.308 36.221 32.440 31.738 31.053 30.383 29.728 29.088 28.461 27.846 27.245 26.655 26.076 25.509 24.952 24.405 23.868 23.341 22.822 22.312 21.811 21.319 20.834 94.490 86.300 79.261 73.157 67.813 63.091 58.885 55.111 51.702 48.603 45.771 43.169 40.767 38.542 36.471 32.725 32.031 31.354 30.693 30.046 29.415 28.797 28.193 27.601 27.021 26.454 25.897 25.351 24.815 24.290 23.774 23.267 22.769 22.279 21.798 21.325 94.685 86.481 79.432 73.322 67.973 63.249 59.043 55.270 51.864 48.771 45.945 43.352 40.960 38.746 36.687 32.969 32.281 31.610 30.955 30.316 29.691 29.080 28.483 27.898 27.326 26.766 26.218 25.680 25.152 24.635 24.128 23.629 23.140 22.660 22.187 21.723 94.863 86.646 79.590 73.474 68.121 63.395 59.188 55.416 52.013 48.923 46.103 43.516 41.132 38.927 36.878 33.182 32.499 31.833 31.183 30.549 29.929 29.324 28.732 28.154 27.587 27.033 26.491 25.959 25.438 24.927 24.426 23.935 23.452 22.978 22.513 22.056 95.026 86.800 79.736 73.614 68.258 63.530 59.323 55.551 52.149 49.063 46.247 43.665 41.288 39.090 37.049 33.371 32.692 32.030 31.384 30.754 30.139 29.538 28.951 28.377 27.815 27.266 26.728 26.201 25.685 25.180 24.684 24.197 23.720 23.252 22.792 22.340 95.178 86.943 79.871 73.745 68.386 63.656 59.448 55.677 52.276 49.192 46.379 43.802 41.430 39.237 37.203 33.541 32.865 32.207 31.564 30.938 30.326 29.729 29.145 28.575 28.017 27.471 26.937 26.415 25.903 25.401 24.909 24.427 23.954 23.490 23.035 22.587 99999.999 87.076 79.999 73.868 68.506 63.774 59.565 55.794 52.395 49.312 46.502 43.928 41.560 39.373 37.345 33.695 33.022 32.366 31.727 31.103 30.494 29.900 29.319 28.752 28.197 27.655 27.124 26.605 26.096 25.598 25.109 24.631 24.161 23.701 23.248 22.805 GdH2PO4+2 GdH2PO4+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 3 1.000 1 1.000 27 1.000 58 -9.824 -9.448 -9.328 -9.361 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.824 -9.448 -9.328 -9.361 -9.500 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.824 -9.448 -9.328 -9.360 -9.499 -9.720 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 5 -1.125 1 -0.125 4 1.000 59 0.125 6 0.500 2 69.496 62.925 57.353 52.570 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.496 62.925 57.353 52.570 48.418 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.496 62.925 57.353 52.570 48.418 44.777 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.502 62.932 57.359 52.576 48.424 44.783 41.562 38.688 36.105 33.767 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.506 62.935 57.363 52.580 48.428 44.787 41.565 38.692 36.109 33.771 31.640 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.511 62.941 57.368 52.585 48.433 44.792 41.571 38.697 36.115 33.778 31.647 29.693 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.517 62.947 57.375 52.592 48.440 44.799 41.578 38.704 36.122 33.786 31.657 29.704 27.908 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.526 62.956 57.384 52.600 48.448 44.808 41.587 38.714 36.132 33.797 31.669 29.718 27.923 26.295 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.537 62.968 57.395 52.612 48.460 44.819 41.598 38.726 36.145 33.811 31.685 29.737 27.943 26.300 24.918 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.546 62.977 57.404 52.620 48.468 44.828 41.607 38.735 36.155 33.821 31.697 29.751 27.960 26.313 24.831 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.558 62.989 57.417 52.633 48.480 44.840 41.620 38.748 36.169 33.836 31.714 29.771 27.984 26.336 24.807 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.569 63.002 57.429 52.645 48.493 44.852 41.632 38.761 36.182 33.851 31.730 29.790 28.007 26.363 24.822 25.698 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.581 63.014 57.441 52.657 48.505 44.864 41.645 38.774 36.196 33.865 31.746 29.809 28.030 26.391 24.853 23.649 24.156 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.593 63.026 57.453 52.669 48.516 44.876 41.657 38.786 36.209 33.879 31.762 29.827 28.053 26.419 24.890 23.156 23.093 23.291 23.783 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.604 63.038 57.465 52.681 48.528 44.888 41.669 38.799 36.222 33.893 31.777 29.845 28.074 26.446 24.927 22.931 22.690 22.573 22.618 22.833 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.615 63.050 57.477 52.692 48.539 44.899 41.680 38.811 36.234 33.906 31.792 29.862 28.094 26.471 24.964 22.804 22.482 22.234 22.079 22.034 22.098 22.237 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.626 63.062 57.489 52.704 48.551 44.911 41.692 38.823 36.247 33.920 31.806 29.878 28.113 26.495 24.997 22.723 22.357 22.041 21.786 21.605 21.502 21.476 21.506 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.637 63.073 57.500 52.715 48.562 44.922 41.703 38.834 36.259 33.933 31.820 29.894 28.131 26.516 25.027 22.670 22.275 21.919 21.608 21.349 21.147 21.006 20.921 20.880 20.865 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.648 63.085 57.512 52.726 48.573 44.933 41.714 38.846 36.271 33.945 31.834 29.909 28.148 26.536 25.054 22.634 22.220 21.838 21.491 21.184 20.921 20.705 20.536 20.411 20.322 20.259 20.208 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.659 63.096 57.523 52.738 48.584 44.944 41.725 38.857 36.283 33.958 31.847 29.923 28.164 26.554 25.077 22.609 22.182 21.781 21.411 21.072 20.769 20.503 20.276 20.088 19.935 19.813 19.714 19.631 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.669 63.107 57.534 52.749 48.595 44.955 41.736 38.868 36.294 33.970 31.860 29.937 28.179 26.571 25.097 22.592 22.155 21.741 21.354 20.993 20.662 20.362 20.094 19.860 19.658 19.486 19.340 19.215 19.108 19.013 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.680 63.118 57.545 52.760 48.606 44.966 41.747 38.879 36.306 33.982 31.873 29.950 28.193 26.586 25.113 22.581 22.136 21.713 21.312 20.936 20.585 20.261 19.964 19.695 19.456 19.244 19.057 18.894 18.751 18.625 18.513 99999.999 99999.999 99999.999 99999.999 99999.999 69.690 63.129 57.556 52.770 48.617 44.976 41.758 38.890 36.317 33.994 31.885 29.963 28.207 26.599 25.127 22.574 22.123 21.692 21.282 20.894 20.528 20.186 19.868 19.574 19.306 19.063 18.843 18.647 18.472 18.315 18.174 18.048 17.935 99999.999 99999.999 99999.999 69.700 63.140 57.567 52.781 48.627 44.987 41.769 38.901 36.328 34.005 31.897 29.976 28.220 26.612 25.139 22.571 22.115 21.678 21.260 20.863 20.486 20.130 19.795 19.483 19.193 18.925 18.680 18.456 18.253 18.068 17.901 17.749 17.612 17.488 99999.999 99999.999 69.710 63.151 57.578 52.792 48.638 44.997 41.779 38.912 36.339 34.017 31.909 29.988 28.232 26.624 25.150 22.570 22.110 21.668 21.245 20.840 20.454 20.088 19.741 19.413 19.106 18.820 18.554 18.307 18.080 17.872 17.681 17.506 17.346 17.200 17.067 16.947 69.720 63.162 57.588 52.802 48.648 45.007 41.789 38.922 36.350 34.028 31.921 30.000 28.244 26.635 25.160 22.571 22.108 21.662 21.234 20.824 20.431 20.056 19.699 19.360 19.040 18.738 18.455 18.191 17.944 17.715 17.503 17.308 17.127 16.960 16.807 16.667 69.814 63.263 57.690 52.902 48.746 45.105 41.887 39.021 36.452 34.133 32.030 30.112 28.358 26.748 25.266 22.637 22.160 21.697 21.248 20.813 20.391 19.982 19.586 19.202 18.830 18.469 18.120 17.782 17.455 17.138 16.832 16.537 16.251 15.975 15.709 15.452 69.900 63.357 57.784 52.995 48.838 45.195 41.977 39.111 36.543 34.227 32.127 30.213 28.461 26.852 25.370 22.733 22.252 21.785 21.332 20.891 20.462 20.046 19.641 19.247 18.864 18.491 18.128 17.774 17.430 17.094 16.767 16.449 16.138 15.836 15.541 15.253 69.978 63.444 57.872 53.082 48.923 45.279 42.060 39.195 36.627 34.313 32.214 30.303 28.554 26.948 25.467 22.830 22.349 21.881 21.426 20.984 20.554 20.135 19.728 19.331 18.944 18.568 18.201 17.843 17.493 17.152 16.820 16.495 16.177 15.867 15.563 15.267 70.051 63.527 57.956 53.165 49.004 45.358 42.138 39.272 36.705 34.391 32.295 30.385 28.639 27.035 25.556 22.922 22.441 21.973 21.518 21.076 20.646 20.227 19.819 19.422 19.034 18.657 18.289 17.929 17.579 17.236 16.902 16.575 16.256 15.943 15.637 15.338 70.121 63.605 58.036 53.243 49.081 45.434 42.212 39.346 36.778 34.465 32.370 30.462 28.717 27.115 25.639 23.008 22.527 22.060 21.606 21.164 20.734 20.315 19.907 19.510 19.123 18.746 18.378 18.018 17.668 17.325 16.991 16.663 16.344 16.031 15.725 15.425 70.186 63.681 58.112 53.319 49.155 45.506 42.283 39.416 36.848 34.535 32.440 30.533 28.790 27.189 25.715 23.088 22.608 22.141 21.687 21.246 20.817 20.398 19.991 19.595 19.208 18.831 18.463 18.104 17.754 17.412 17.078 16.751 16.431 16.119 15.813 15.514 70.249 63.753 58.186 53.392 49.226 45.576 42.352 39.483 36.914 34.601 32.506 30.600 28.858 27.259 25.786 23.162 22.683 22.217 21.764 21.323 20.894 20.476 20.070 19.674 19.288 18.911 18.544 18.186 17.836 17.494 17.161 16.834 16.516 16.204 15.898 15.600 99999.999 63.824 58.258 53.462 49.295 45.643 42.418 39.548 36.978 34.664 32.569 30.663 28.922 27.324 25.853 23.232 22.753 22.287 21.835 21.395 20.966 20.549 20.143 19.748 19.362 18.987 18.620 18.262 17.913 17.572 17.239 16.913 16.595 16.283 15.979 15.681 Tb+4 Tb(+4) P-T:All Charge = 4. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 5 1.125 1 0.125 4 1.000 59 -0.125 6 -0.500 2 51.594 48.052 44.986 42.312 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.594 48.052 44.986 42.312 39.960 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.594 48.052 44.986 42.312 39.960 37.876 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.594 48.052 44.986 42.311 39.960 37.876 36.018 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.593 48.052 44.985 42.311 39.959 37.876 36.018 34.352 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.593 48.051 44.985 42.310 39.958 37.875 36.017 34.351 32.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.592 48.050 44.984 42.310 39.958 37.874 36.016 34.350 32.848 31.490 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.592 48.049 44.983 42.308 39.956 37.872 36.014 34.348 32.846 31.487 30.256 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.591 48.048 44.981 42.307 39.954 37.870 36.012 34.345 32.843 31.484 30.251 29.131 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.589 48.046 44.979 42.304 39.952 37.867 36.008 34.341 32.838 31.478 30.245 29.123 28.091 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.587 48.044 44.977 42.302 39.949 37.864 36.004 34.336 32.833 31.472 30.237 29.113 28.082 27.091 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.585 48.041 44.974 42.298 39.945 37.859 35.999 34.330 32.826 31.463 30.226 29.100 28.068 27.097 26.016 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.584 48.039 44.971 42.295 39.942 37.856 35.995 34.326 32.820 31.457 30.218 29.090 28.056 27.092 26.135 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.581 48.036 44.968 42.291 39.937 37.851 35.990 34.319 32.813 31.448 30.207 29.075 28.037 27.077 26.182 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.579 48.033 44.964 42.288 39.933 37.846 35.984 34.313 32.805 31.439 30.196 29.061 28.019 27.056 26.179 20.150 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.577 48.030 44.961 42.284 39.929 37.842 35.979 34.307 32.798 31.431 30.186 29.048 28.001 27.034 26.157 22.729 21.179 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.575 48.027 44.958 42.280 39.925 37.837 35.974 34.301 32.791 31.423 30.176 29.035 27.984 27.012 26.127 23.347 22.515 21.375 19.866 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.573 48.024 44.954 42.277 39.921 37.833 35.969 34.295 32.785 31.415 30.166 29.022 27.968 26.990 26.094 23.633 23.022 22.280 21.354 20.226 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.571 48.022 44.951 42.273 39.917 37.828 35.964 34.290 32.778 31.407 30.157 29.011 27.953 26.969 26.063 23.800 23.289 22.710 22.037 21.246 20.331 19.329 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.569 48.019 44.948 42.270 39.914 37.824 35.959 34.284 32.772 31.400 30.148 29.000 27.939 26.951 26.034 23.908 23.452 22.958 22.410 21.792 21.094 20.316 19.477 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.567 48.016 44.945 42.267 39.910 37.820 35.954 34.279 32.766 31.392 30.139 28.989 27.926 26.934 26.009 23.982 23.562 23.117 22.640 22.120 21.548 20.919 20.236 19.509 18.760 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.566 48.014 44.942 42.263 39.906 37.816 35.950 34.273 32.759 31.385 30.131 28.979 27.914 26.919 25.987 24.036 23.639 23.227 22.794 22.333 21.839 21.306 20.732 20.118 19.473 18.808 18.138 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.564 48.011 44.939 42.260 39.903 37.812 35.945 34.268 32.753 31.378 30.123 28.970 27.903 26.906 25.969 24.075 23.695 23.305 22.902 22.481 22.038 21.567 21.067 20.536 19.976 19.393 18.793 18.186 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.562 48.009 44.936 42.257 39.899 37.808 35.941 34.263 32.748 31.372 30.116 28.961 27.893 26.895 25.954 24.105 23.737 23.364 22.982 22.588 22.179 21.752 21.304 20.832 20.337 19.820 19.285 18.736 18.179 17.619 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.561 48.007 44.934 42.254 39.896 37.804 35.937 34.258 32.742 31.365 30.108 28.953 27.884 26.885 25.943 24.127 23.769 23.408 23.042 22.668 22.284 21.887 21.476 21.047 20.600 20.136 19.654 19.158 18.651 18.136 17.615 99999.999 99999.999 99999.999 99999.999 99999.999 51.560 48.004 44.931 42.251 39.893 37.801 35.932 34.253 32.737 31.359 30.101 28.945 27.875 26.876 25.934 24.144 23.793 23.442 23.087 22.728 22.363 21.989 21.604 21.208 20.797 20.373 19.934 19.482 19.019 18.546 18.065 17.579 17.089 99999.999 99999.999 99999.999 51.558 48.002 44.928 42.248 39.889 37.797 35.928 34.249 32.731 31.353 30.094 28.938 27.868 26.869 25.928 24.156 23.812 23.468 23.123 22.775 22.424 22.067 21.703 21.330 20.947 20.554 20.149 19.733 19.307 18.871 18.427 17.976 17.520 17.059 99999.999 99999.999 51.557 48.000 44.926 42.245 39.886 37.794 35.924 34.244 32.726 31.347 30.087 28.931 27.860 26.862 25.923 24.165 23.826 23.488 23.150 22.812 22.471 22.128 21.779 21.425 21.064 20.695 20.317 19.930 19.534 19.130 18.717 18.298 17.873 17.443 17.008 16.569 51.556 47.998 44.923 42.242 39.883 37.790 35.920 34.240 32.721 31.341 30.081 28.923 27.853 26.856 25.918 24.172 23.836 23.503 23.171 22.840 22.509 22.176 21.840 21.500 21.156 20.805 20.449 20.085 19.714 19.336 18.952 18.560 18.163 17.761 17.354 16.943 51.546 47.979 44.900 42.216 39.854 37.758 35.885 34.199 32.674 31.288 30.022 28.859 27.786 26.790 25.861 24.164 23.847 23.535 23.230 22.929 22.634 22.344 22.057 21.775 21.496 21.220 20.947 20.677 20.409 20.142 19.878 19.614 19.352 19.091 18.830 18.571 51.541 47.965 44.881 42.194 39.830 37.731 35.854 34.165 32.636 31.245 29.973 28.805 27.727 26.729 25.799 24.112 23.799 23.493 23.193 22.900 22.613 22.332 22.057 21.787 21.522 21.262 21.007 20.757 20.510 20.268 20.030 19.795 19.565 19.337 19.113 18.893 51.540 47.953 44.865 42.176 39.809 37.708 35.829 34.136 32.603 31.208 29.931 28.758 27.676 26.674 25.741 24.054 23.741 23.436 23.138 22.847 22.562 22.284 22.011 21.745 21.484 21.229 20.979 20.734 20.494 20.259 20.028 19.802 19.580 19.363 19.150 18.940 51.542 47.944 44.852 42.159 39.790 37.687 35.806 34.111 32.575 31.176 29.895 28.718 27.632 26.625 25.689 23.997 23.684 23.379 23.080 22.789 22.505 22.227 21.955 21.690 21.430 21.176 20.927 20.684 20.445 20.212 19.984 19.760 19.541 19.327 19.116 18.910 51.545 47.937 44.840 42.145 39.774 37.669 35.786 34.089 32.550 31.148 29.864 28.684 27.593 26.583 25.643 23.945 23.631 23.325 23.026 22.734 22.449 22.171 21.899 21.633 21.373 21.118 20.870 20.626 20.388 20.155 19.927 19.704 19.485 19.271 19.061 18.856 51.550 47.931 44.830 42.132 39.759 37.652 35.767 34.069 32.528 31.124 29.837 28.653 27.560 26.546 25.602 23.898 23.583 23.276 22.976 22.683 22.397 22.118 21.845 21.578 21.318 21.063 20.813 20.570 20.331 20.097 19.869 19.645 19.426 19.211 19.001 18.796 51.556 47.927 44.821 42.121 39.746 37.637 35.751 34.050 32.508 31.102 29.813 28.626 27.530 26.513 25.566 23.856 23.540 23.231 22.930 22.637 22.350 22.070 21.796 21.528 21.267 21.011 20.761 20.516 20.277 20.042 19.813 19.588 19.369 19.153 18.943 18.736 99999.999 47.923 44.813 42.111 39.734 37.624 35.736 34.034 32.490 31.082 29.791 28.602 27.503 26.483 25.534 23.818 23.501 23.191 22.889 22.595 22.307 22.026 21.751 21.482 21.220 20.963 20.712 20.466 20.226 19.991 19.761 19.535 19.315 19.099 18.887 18.680 TbCO3+ TbCO3+ P-T:All Charge = 1. Radius(Å) = 2.75 Alk. = 2.000 Ref: Shock07 3 -1.000 1 1.000 5 1.000 59 2.313 2.406 2.503 2.600 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.313 2.406 2.503 2.600 2.690 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.313 2.406 2.503 2.600 2.690 2.769 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.314 2.407 2.504 2.601 2.691 2.769 2.831 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.315 2.407 2.505 2.601 2.692 2.771 2.833 2.874 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.317 2.409 2.506 2.603 2.693 2.772 2.835 2.876 2.892 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.319 2.411 2.508 2.605 2.696 2.775 2.838 2.880 2.896 2.879 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.323 2.414 2.511 2.608 2.699 2.779 2.842 2.885 2.903 2.888 2.827 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.328 2.418 2.515 2.612 2.704 2.784 2.849 2.893 2.912 2.899 2.842 2.723 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.334 2.424 2.521 2.618 2.710 2.791 2.857 2.902 2.924 2.914 2.862 2.751 2.558 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.342 2.431 2.527 2.625 2.718 2.800 2.867 2.915 2.939 2.933 2.888 2.787 2.610 2.327 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.352 2.440 2.536 2.634 2.727 2.811 2.880 2.930 2.958 2.957 2.919 2.831 2.675 2.419 2.000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.360 2.446 2.542 2.641 2.735 2.819 2.890 2.942 2.972 2.975 2.943 2.864 2.723 2.489 2.072 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.370 2.456 2.551 2.650 2.745 2.831 2.903 2.958 2.992 3.000 2.976 2.909 2.787 2.584 2.207 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.380 2.464 2.560 2.659 2.755 2.842 2.916 2.974 3.011 3.024 3.007 2.952 2.848 2.673 2.345 3.893 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.390 2.473 2.568 2.668 2.764 2.853 2.929 2.989 3.030 3.047 3.036 2.992 2.905 2.757 2.478 3.107 3.430 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.399 2.481 2.576 2.676 2.773 2.863 2.941 3.004 3.047 3.069 3.065 3.030 2.957 2.834 2.601 2.963 3.069 3.247 3.431 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.408 2.488 2.584 2.684 2.782 2.873 2.953 3.018 3.064 3.090 3.091 3.065 3.007 2.904 2.713 2.937 2.974 3.045 3.150 3.253 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.416 2.495 2.591 2.691 2.791 2.883 2.964 3.031 3.081 3.110 3.117 3.099 3.052 2.969 2.815 2.949 2.958 2.983 3.029 3.091 3.147 3.157 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.424 2.502 2.598 2.699 2.799 2.892 2.975 3.045 3.097 3.130 3.142 3.131 3.095 3.029 2.906 2.977 2.972 2.976 2.992 3.019 3.054 3.082 3.081 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.431 2.509 2.604 2.706 2.807 2.901 2.986 3.057 3.112 3.149 3.165 3.161 3.134 3.083 2.987 3.012 3.001 2.994 2.994 3.001 3.014 3.031 3.041 3.033 2.994 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.438 2.515 2.611 2.713 2.814 2.910 2.996 3.070 3.127 3.167 3.188 3.189 3.171 3.132 3.059 3.050 3.036 3.024 3.015 3.010 3.010 3.014 3.018 3.017 3.004 2.973 2.920 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.445 2.521 2.617 2.719 2.821 2.919 3.006 3.082 3.141 3.184 3.209 3.216 3.205 3.176 3.122 3.091 3.074 3.059 3.046 3.035 3.026 3.021 3.017 3.013 3.005 2.990 2.964 2.926 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.451 2.527 2.622 2.725 2.828 2.927 3.016 3.093 3.155 3.201 3.230 3.241 3.237 3.216 3.176 3.131 3.115 3.098 3.082 3.068 3.054 3.043 3.033 3.024 3.014 3.003 2.986 2.965 2.937 2.905 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.457 2.532 2.628 2.731 2.835 2.935 3.025 3.104 3.169 3.217 3.249 3.265 3.266 3.253 3.224 3.171 3.155 3.138 3.122 3.105 3.089 3.074 3.060 3.047 3.034 3.021 3.007 2.992 2.974 2.954 2.934 99999.999 99999.999 99999.999 99999.999 99999.999 2.462 2.537 2.633 2.737 2.842 2.942 3.034 3.115 3.182 3.233 3.268 3.288 3.293 3.286 3.266 3.211 3.196 3.179 3.162 3.145 3.127 3.110 3.094 3.078 3.062 3.047 3.033 3.018 3.004 2.989 2.976 2.964 2.956 99999.999 99999.999 99999.999 2.467 2.542 2.638 2.743 2.848 2.949 3.043 3.125 3.194 3.248 3.287 3.310 3.319 3.317 3.302 3.250 3.236 3.220 3.203 3.186 3.168 3.150 3.132 3.114 3.097 3.080 3.064 3.048 3.034 3.021 3.010 3.001 2.996 2.997 99999.999 99999.999 2.472 2.547 2.643 2.748 2.854 2.956 3.051 3.136 3.207 3.263 3.304 3.331 3.344 3.345 3.335 3.288 3.275 3.260 3.244 3.227 3.209 3.191 3.172 3.154 3.135 3.117 3.099 3.083 3.068 3.054 3.043 3.034 3.029 3.030 3.036 3.051 2.477 2.551 2.647 2.753 2.860 2.963 3.059 3.145 3.219 3.277 3.321 3.351 3.367 3.372 3.366 3.326 3.313 3.300 3.285 3.268 3.251 3.233 3.214 3.195 3.176 3.157 3.138 3.121 3.104 3.089 3.077 3.067 3.061 3.060 3.064 3.075 2.505 2.580 2.680 2.791 2.906 3.019 3.127 3.228 3.319 3.399 3.467 3.523 3.568 3.602 3.627 3.650 3.651 3.650 3.647 3.643 3.637 3.630 3.621 3.611 3.600 3.587 3.573 3.558 3.543 3.526 3.510 3.493 3.476 3.459 3.443 3.428 2.507 2.588 2.694 2.812 2.934 3.056 3.175 3.288 3.393 3.490 3.577 3.654 3.721 3.779 3.828 3.902 3.913 3.923 3.932 3.939 3.945 3.949 3.952 3.953 3.954 3.952 3.950 3.946 3.941 3.934 3.926 3.917 3.907 3.896 3.884 3.871 2.489 2.580 2.694 2.819 2.949 3.079 3.207 3.331 3.448 3.559 3.661 3.755 3.840 3.917 3.986 4.103 4.122 4.141 4.158 4.175 4.190 4.204 4.216 4.227 4.237 4.246 4.253 4.259 4.264 4.268 4.270 4.270 4.270 4.268 4.265 4.260 2.454 2.559 2.681 2.815 2.952 3.090 3.227 3.360 3.488 3.610 3.726 3.834 3.935 4.028 4.113 4.265 4.292 4.318 4.342 4.366 4.389 4.410 4.431 4.450 4.468 4.485 4.501 4.515 4.528 4.540 4.551 4.560 4.568 4.574 4.580 4.584 2.407 2.526 2.659 2.800 2.946 3.092 3.237 3.378 3.516 3.648 3.775 3.896 4.009 4.116 4.217 4.398 4.431 4.463 4.494 4.524 4.553 4.581 4.608 4.634 4.659 4.682 4.705 4.726 4.746 4.765 4.783 4.799 4.815 4.828 4.841 4.853 2.349 2.484 2.627 2.778 2.932 3.086 3.238 3.388 3.534 3.676 3.812 3.943 4.069 4.188 4.300 4.507 4.546 4.583 4.620 4.655 4.690 4.723 4.756 4.787 4.818 4.847 4.875 4.902 4.928 4.953 4.977 4.999 5.021 5.041 5.060 5.077 2.282 2.435 2.589 2.748 2.911 3.072 3.233 3.390 3.544 3.694 3.839 3.980 4.115 4.245 4.369 4.598 4.642 4.684 4.725 4.765 4.804 4.843 4.880 4.916 4.952 4.986 5.019 5.051 5.082 5.112 5.141 5.168 5.195 5.220 5.244 5.267 99999.999 2.380 2.545 2.713 2.884 3.053 3.221 3.386 3.547 3.705 3.858 4.007 4.152 4.291 4.424 4.674 4.721 4.768 4.813 4.857 4.901 4.943 4.985 5.025 5.065 5.103 5.141 5.177 5.212 5.246 5.279 5.311 5.342 5.372 5.400 5.427 TbHCO3+2 TbHCO3+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 2 1.000 5 1.000 59 -2.013 -1.699 -1.554 -1.511 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.013 -1.699 -1.554 -1.511 -1.537 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.013 -1.699 -1.554 -1.511 -1.537 -1.617 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-3.231 -3.598 -4.140 -4.287 -4.441 -4.606 -4.792 -5.015 -5.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.973 -1.672 -1.528 -1.479 -1.497 -1.564 -1.670 -1.809 -1.976 -2.169 -2.387 -2.628 -2.894 -3.189 -3.531 -4.087 -4.229 -4.377 -4.532 -4.699 -4.883 -5.094 -5.344 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.972 -1.672 -1.527 -1.478 -1.495 -1.561 -1.665 -1.803 -1.968 -2.158 -2.372 -2.608 -2.867 -3.151 -3.473 -4.038 -4.175 -4.318 -4.466 -4.622 -4.789 -4.970 -5.171 -5.399 -5.657 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.971 -1.671 -1.527 -1.477 -1.493 -1.558 -1.661 -1.797 -1.960 -2.148 -2.358 -2.590 -2.842 -3.116 -3.421 -3.991 -4.125 -4.263 -4.406 -4.555 -4.711 -4.876 -5.053 -5.245 -5.456 -5.687 -5.936 99999.999 99999.999 99999.999 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-4.204 -4.335 -4.468 -4.606 -4.747 -4.893 -5.043 -5.197 -5.356 -5.519 -5.686 -5.855 -6.026 -6.196 -6.364 99999.999 99999.999 99999.999 -1.971 -1.673 -1.528 -1.475 -1.487 -1.547 -1.644 -1.772 -1.926 -2.102 -2.299 -2.513 -2.743 -2.987 -3.244 -3.798 -3.917 -4.038 -4.162 -4.288 -4.419 -4.552 -4.689 -4.829 -4.973 -5.120 -5.271 -5.425 -5.582 -5.740 -5.900 -6.059 -6.217 -6.371 99999.999 99999.999 -1.972 -1.675 -1.528 -1.475 -1.487 -1.546 -1.642 -1.768 -1.920 -2.094 -2.288 -2.500 -2.727 -2.967 -3.220 -3.766 -3.882 -4.000 -4.121 -4.245 -4.372 -4.501 -4.634 -4.770 -4.909 -5.050 -5.195 -5.342 -5.492 -5.642 -5.794 -5.945 -6.095 -6.242 -6.385 -6.522 -1.973 -1.676 -1.529 -1.476 -1.486 -1.544 -1.639 -1.764 -1.914 -2.087 -2.279 -2.488 -2.712 -2.949 -3.198 -3.734 -3.848 -3.964 -4.083 -4.204 -4.327 -4.454 -4.583 -4.715 -4.849 -4.987 -5.126 -5.268 -5.411 -5.556 -5.701 -5.846 -5.990 -6.132 -6.270 -6.404 -1.999 -1.700 -1.549 -1.489 -1.491 -1.540 -1.624 -1.737 -1.872 -2.028 -2.200 -2.387 -2.587 -2.798 -3.018 -3.485 -3.582 -3.681 -3.781 -3.883 -3.986 -4.091 -4.197 -4.304 -4.413 -4.523 -4.635 -4.747 -4.861 -4.976 -5.091 -5.208 -5.324 -5.441 -5.557 -5.673 -2.047 -1.742 -1.583 -1.516 -1.511 -1.551 -1.625 -1.727 -1.850 -1.992 -2.149 -2.319 -2.501 -2.692 -2.891 -3.310 -3.396 -3.484 -3.573 -3.663 -3.754 -3.845 -3.938 -4.032 -4.127 -4.222 -4.319 -4.417 -4.515 -4.614 -4.715 -4.815 -4.917 -5.019 -5.122 -5.225 -2.111 -1.797 -1.630 -1.554 -1.541 -1.573 -1.638 -1.730 -1.843 -1.973 -2.117 -2.273 -2.440 -2.615 -2.797 -3.180 -3.259 -3.339 -3.419 -3.501 -3.583 -3.666 -3.749 -3.833 -3.919 -4.004 -4.091 -4.178 -4.266 -4.355 -4.444 -4.534 -4.625 -4.716 -4.808 -4.901 -2.189 -1.863 -1.687 -1.602 -1.580 -1.604 -1.661 -1.744 -1.847 -1.967 -2.100 -2.244 -2.398 -2.560 -2.729 -3.082 -3.154 -3.228 -3.302 -3.377 -3.452 -3.528 -3.605 -3.682 -3.760 -3.838 -3.917 -3.997 -4.077 -4.158 -4.239 -4.321 -4.404 -4.487 -4.571 -4.655 -2.279 -1.938 -1.751 -1.657 -1.627 -1.642 -1.691 -1.766 -1.860 -1.971 -2.094 -2.228 -2.371 -2.522 -2.678 -3.007 -3.074 -3.143 -3.211 -3.281 -3.351 -3.421 -3.492 -3.564 -3.636 -3.708 -3.781 -3.855 -3.929 -4.003 -4.079 -4.154 -4.230 -4.307 -4.384 -4.462 -2.377 -2.021 -1.823 -1.719 -1.680 -1.687 -1.728 -1.794 -1.881 -1.983 -2.098 -2.223 -2.356 -2.497 -2.643 -2.950 -3.013 -3.077 -3.141 -3.206 -3.271 -3.337 -3.403 -3.470 -3.537 -3.605 -3.673 -3.742 -3.811 -3.880 -3.950 -4.021 -4.092 -4.163 -4.235 -4.308 -2.483 -2.110 -1.900 -1.787 -1.738 -1.737 -1.770 -1.829 -1.908 -2.002 -2.109 -2.226 -2.350 -2.482 -2.619 -2.907 -2.966 -3.026 -3.086 -3.147 -3.209 -3.271 -3.333 -3.396 -3.459 -3.522 -3.587 -3.651 -3.716 -3.781 -3.847 -3.914 -3.980 -4.047 -4.115 -4.183 99999.999 -2.204 -1.982 -1.859 -1.802 -1.792 -1.817 -1.868 -1.940 -2.027 -2.127 -2.236 -2.353 -2.476 -2.605 -2.876 -2.932 -2.988 -3.045 -3.103 -3.160 -3.219 -3.278 -3.337 -3.397 -3.457 -3.517 -3.578 -3.640 -3.701 -3.764 -3.826 -3.890 -3.953 -4.017 -4.082 TbOH+2 TbOH+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 3 -1.000 1 1.000 2 1.000 59 9.117 7.834 6.761 5.854 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.117 7.834 6.761 5.854 5.076 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.117 7.835 6.762 5.854 5.076 4.402 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.118 7.836 6.763 5.855 5.077 4.403 3.810 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.120 7.838 6.765 5.857 5.079 4.404 3.812 3.285 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.123 7.841 6.768 5.860 5.082 4.407 3.814 3.287 2.813 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.128 7.845 6.772 5.864 5.086 4.411 3.818 3.291 2.817 2.385 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.134 7.852 6.778 5.870 5.092 4.417 3.824 3.297 2.823 2.391 1.990 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.143 7.860 6.787 5.878 5.100 4.425 3.832 3.305 2.832 2.400 2.000 1.622 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.154 7.872 6.798 5.889 5.111 4.436 3.843 3.316 2.843 2.412 2.013 1.636 1.281 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.169 7.887 6.813 5.904 5.125 4.449 3.856 3.330 2.857 2.427 2.029 1.655 1.301 0.986 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.188 7.907 6.832 5.922 5.143 4.467 3.874 3.348 2.875 2.446 2.050 1.679 1.328 1.002 0.799 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.203 7.922 6.847 5.936 5.156 4.480 3.887 3.361 2.889 2.460 2.066 1.697 1.349 1.022 0.735 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.223 7.943 6.867 5.956 5.176 4.500 3.906 3.380 2.909 2.481 2.088 1.723 1.379 1.054 0.731 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.244 7.964 6.888 5.976 5.195 4.518 3.925 3.399 2.928 2.501 2.110 1.748 1.409 1.089 0.761 3.411 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.264 7.984 6.908 5.996 5.214 4.537 3.943 3.418 2.947 2.521 2.131 1.772 1.438 1.124 0.802 1.630 2.410 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.284 8.005 6.928 6.015 5.233 4.555 3.962 3.436 2.965 2.540 2.152 1.795 1.465 1.158 0.848 1.207 1.490 1.990 2.728 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.303 8.025 6.947 6.034 5.251 4.573 3.979 3.454 2.983 2.559 2.172 1.818 1.492 1.190 0.893 1.019 1.147 1.374 1.730 2.221 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.323 8.045 6.967 6.053 5.269 4.591 3.997 3.471 3.001 2.577 2.192 1.840 1.517 1.221 0.936 0.916 0.974 1.086 1.270 1.540 1.893 2.296 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.342 8.064 6.986 6.071 5.287 4.609 4.014 3.489 3.019 2.595 2.211 1.861 1.541 1.250 0.976 0.854 0.873 0.927 1.024 1.176 1.387 1.654 1.959 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.360 8.083 7.005 6.090 5.305 4.626 4.032 3.506 3.036 2.613 2.230 1.881 1.564 1.277 1.012 0.815 0.810 0.829 0.877 0.962 1.088 1.257 1.466 1.704 1.955 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.379 8.103 7.024 6.108 5.323 4.643 4.048 3.523 3.053 2.631 2.248 1.901 1.586 1.302 1.044 0.791 0.769 0.765 0.783 0.827 0.900 1.006 1.144 1.312 1.502 1.706 1.913 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.397 8.121 7.042 6.126 5.340 4.660 4.065 3.539 3.070 2.648 2.266 1.920 1.606 1.325 1.072 0.777 0.743 0.724 0.721 0.737 0.776 0.839 0.927 1.042 1.179 1.335 1.504 1.679 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.415 8.140 7.060 6.143 5.357 4.677 4.082 3.556 3.087 2.665 2.283 1.938 1.626 1.346 1.097 0.769 0.726 0.696 0.678 0.676 0.691 0.724 0.778 0.853 0.949 1.063 1.193 1.334 1.484 1.638 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.433 8.158 7.078 6.161 5.374 4.693 4.098 3.572 3.103 2.681 2.300 1.956 1.644 1.365 1.119 0.766 0.717 0.678 0.650 0.634 0.631 0.644 0.673 0.719 0.782 0.863 0.959 1.068 1.189 1.318 1.454 99999.999 99999.999 99999.999 99999.999 99999.999 9.451 8.177 7.096 6.178 5.391 4.709 4.114 3.588 3.119 2.698 2.317 1.973 1.662 1.383 1.137 0.766 0.712 0.667 0.630 0.604 0.589 0.586 0.597 0.622 0.661 0.715 0.783 0.865 0.958 1.062 1.174 1.294 1.420 99999.999 99999.999 99999.999 9.468 8.195 7.114 6.195 5.407 4.726 4.130 3.604 3.135 2.714 2.334 1.990 1.679 1.400 1.154 0.769 0.711 0.661 0.618 0.584 0.559 0.545 0.541 0.550 0.571 0.604 0.650 0.708 0.778 0.858 0.948 1.047 1.153 1.266 99999.999 99999.999 9.485 8.212 7.131 6.212 5.424 4.742 4.145 3.619 3.151 2.730 2.350 2.006 1.695 1.416 1.169 0.775 0.713 0.658 0.611 0.570 0.538 0.515 0.501 0.497 0.503 0.520 0.548 0.588 0.638 0.698 0.767 0.846 0.933 1.027 1.129 1.237 9.502 8.230 7.148 6.229 5.440 4.757 4.161 3.635 3.166 2.745 2.366 2.022 1.711 1.432 1.183 0.781 0.717 0.659 0.607 0.562 0.524 0.494 0.471 0.457 0.452 0.457 0.471 0.494 0.528 0.571 0.623 0.683 0.752 0.829 0.913 1.004 9.661 8.397 7.312 6.387 5.593 4.906 4.307 3.779 3.310 2.891 2.514 2.172 1.862 1.581 1.327 0.892 0.816 0.743 0.674 0.608 0.546 0.487 0.431 0.379 0.330 0.284 0.242 0.203 0.168 0.136 0.108 0.083 0.062 0.044 0.030 0.020 9.805 8.549 7.463 6.533 5.734 5.043 4.440 3.910 3.440 3.022 2.645 2.305 1.997 1.717 1.462 1.019 0.941 0.865 0.792 0.721 0.653 0.588 0.525 0.465 0.407 0.351 0.297 0.245 0.196 0.148 0.102 0.058 0.016 -0.025 -0.063 -0.100 9.937 8.691 7.603 6.669 5.865 5.170 4.563 4.030 3.560 3.140 2.764 2.425 2.118 1.840 1.586 1.143 1.063 0.987 0.912 0.841 0.772 0.705 0.640 0.578 0.517 0.458 0.401 0.346 0.292 0.240 0.189 0.140 0.092 0.045 0.000 -0.045 10.060 8.823 7.734 6.796 5.988 5.288 4.678 4.143 3.670 3.250 2.874 2.535 2.230 1.952 1.699 1.258 1.178 1.102 1.028 0.956 0.887 0.819 0.754 0.691 0.630 0.571 0.513 0.457 0.402 0.349 0.297 0.246 0.197 0.148 0.101 0.055 10.175 8.948 7.858 6.917 6.105 5.401 4.787 4.249 3.774 3.352 2.975 2.637 2.332 2.055 1.804 1.364 1.285 1.209 1.135 1.064 0.995 0.928 0.863 0.800 0.739 0.679 0.622 0.566 0.511 0.458 0.406 0.355 0.305 0.257 0.209 0.163 10.284 9.068 7.977 7.032 6.216 5.508 4.891 4.350 3.872 3.449 3.071 2.733 2.428 2.152 1.901 1.463 1.385 1.309 1.235 1.164 1.096 1.029 0.964 0.902 0.841 0.782 0.725 0.669 0.615 0.562 0.510 0.460 0.410 0.362 0.315 0.269 10.388 9.182 8.091 7.143 6.323 5.611 4.991 4.446 3.966 3.541 3.162 2.823 2.517 2.242 1.992 1.556 1.477 1.402 1.329 1.258 1.190 1.124 1.059 0.997 0.937 0.878 0.821 0.766 0.712 0.659 0.608 0.558 0.510 0.462 0.415 0.369 99999.999 9.293 8.202 7.250 6.426 5.711 5.086 4.539 4.056 3.629 3.248 2.908 2.603 2.327 2.077 1.642 1.564 1.489 1.416 1.346 1.278 1.212 1.148 1.086 1.026 0.968 0.912 0.857 0.803 0.751 0.700 0.651 0.602 0.555 0.509 0.464 TbO+ TbO+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 3 -2.000 1 1.000 2 1.000 59 18.590 16.190 14.234 12.609 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.590 16.190 14.234 12.609 11.241 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.591 16.191 14.234 12.610 11.242 10.073 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.592 16.192 14.235 12.611 11.243 10.074 9.063 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.594 16.194 14.237 12.613 11.245 10.076 9.065 8.180 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.597 16.198 14.241 12.616 11.248 10.079 9.069 8.183 7.398 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.602 16.203 14.246 12.621 11.253 10.084 9.074 8.188 7.404 6.697 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.609 16.210 14.252 12.628 11.259 10.091 9.080 8.196 7.411 6.706 6.058 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.619 16.219 14.262 12.637 11.269 10.100 9.090 8.206 7.422 6.717 6.072 5.467 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.632 16.232 14.275 12.650 11.281 10.113 9.103 8.219 7.436 6.733 6.089 5.488 4.920 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.648 16.249 14.291 12.666 11.297 10.129 9.119 8.236 7.454 6.753 6.112 5.515 4.952 4.442 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.669 16.271 14.312 12.687 11.317 10.149 9.140 8.257 7.477 6.778 6.141 5.550 4.993 4.472 4.108 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.686 16.287 14.329 12.702 11.333 10.165 9.156 8.274 7.494 6.797 6.162 5.576 5.025 4.504 4.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.709 16.311 14.352 12.725 11.355 10.187 9.178 8.297 7.519 6.824 6.193 5.612 5.070 4.556 4.036 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.731 16.334 14.374 12.747 11.377 10.209 9.201 8.320 7.543 6.850 6.223 5.648 5.114 4.610 4.090 7.736 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.754 16.357 14.397 12.769 11.399 10.230 9.223 8.343 7.567 6.875 6.251 5.682 5.157 4.665 4.159 5.282 6.347 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.776 16.379 14.419 12.791 11.420 10.252 9.244 8.365 7.590 6.900 6.279 5.715 5.198 4.717 4.232 4.698 5.081 5.758 6.746 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.797 16.401 14.440 12.812 11.441 10.272 9.265 8.387 7.613 6.925 6.306 5.747 5.237 4.767 4.303 4.442 4.610 4.913 5.393 6.047 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.819 16.423 14.462 12.833 11.462 10.293 9.286 8.408 7.636 6.949 6.333 5.777 5.273 4.814 4.371 4.304 4.374 4.520 4.765 5.125 5.594 6.120 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.840 16.445 14.483 12.854 11.482 10.313 9.307 8.430 7.658 6.972 6.359 5.806 5.308 4.857 4.433 4.222 4.239 4.304 4.431 4.631 4.911 5.264 5.661 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.861 16.466 14.504 12.874 11.502 10.333 9.327 8.450 7.679 6.995 6.383 5.834 5.341 4.897 4.489 4.173 4.156 4.174 4.234 4.343 4.508 4.731 5.006 5.315 5.637 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.881 16.487 14.525 12.894 11.522 10.353 9.347 8.471 7.701 7.018 6.408 5.861 5.372 4.934 4.538 4.143 4.104 4.091 4.109 4.162 4.256 4.393 4.574 4.794 5.042 5.304 5.566 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.901 16.508 14.545 12.915 11.542 10.373 9.366 8.491 7.722 7.040 6.431 5.887 5.400 4.968 4.581 4.126 4.072 4.038 4.027 4.044 4.090 4.170 4.286 4.435 4.614 4.817 5.035 5.259 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.921 16.528 14.566 12.934 11.561 10.392 9.386 8.511 7.742 7.061 6.454 5.912 5.428 4.998 4.619 4.119 4.053 4.004 3.973 3.964 3.979 4.019 4.088 4.185 4.309 4.458 4.627 4.811 5.004 5.202 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.941 16.549 14.586 12.954 11.580 10.411 9.405 8.530 7.762 7.082 6.477 5.936 5.454 5.027 4.652 4.118 4.043 3.983 3.938 3.910 3.902 3.914 3.949 4.008 4.090 4.195 4.320 4.463 4.621 4.789 4.965 99999.999 99999.999 99999.999 99999.999 99999.999 18.961 16.569 14.605 12.973 11.599 10.430 9.424 8.549 7.782 7.103 6.499 5.959 5.478 5.052 4.680 4.121 4.040 3.971 3.915 3.874 3.849 3.840 3.851 3.880 3.930 4.000 4.089 4.196 4.319 4.455 4.603 4.761 4.927 99999.999 99999.999 99999.999 18.980 16.589 14.625 12.992 11.618 10.449 9.442 8.568 7.802 7.124 6.520 5.982 5.502 5.076 4.704 4.129 4.042 3.966 3.902 3.850 3.812 3.788 3.780 3.788 3.813 3.855 3.915 3.992 4.084 4.191 4.310 4.441 4.582 4.733 99999.999 99999.999 18.999 16.608 14.644 13.011 11.637 10.467 9.461 8.587 7.821 7.144 6.541 6.004 5.524 5.099 4.726 4.139 4.048 3.967 3.896 3.836 3.788 3.752 3.729 3.721 3.726 3.747 3.784 3.835 3.901 3.981 4.075 4.180 4.297 4.424 4.561 4.708 19.018 16.628 14.664 13.030 11.655 10.485 9.479 8.606 7.840 7.164 6.562 6.025 5.546 5.121 4.747 4.151 4.057 3.971 3.895 3.829 3.773 3.727 3.693 3.672 3.663 3.666 3.684 3.715 3.759 3.816 3.887 3.969 4.062 4.167 4.282 4.406 19.194 16.812 14.845 13.207 11.829 10.656 9.650 8.779 8.017 7.347 6.753 6.224 5.751 5.329 4.952 4.322 4.214 4.111 4.014 3.922 3.835 3.754 3.677 3.606 3.539 3.478 3.422 3.370 3.324 3.283 3.247 3.217 3.191 3.171 3.156 3.147 19.352 16.979 15.011 13.370 11.988 10.813 9.805 8.934 8.175 7.509 6.920 6.397 5.931 5.514 5.141 4.509 4.399 4.294 4.193 4.097 4.004 3.916 3.832 3.752 3.675 3.602 3.532 3.465 3.401 3.340 3.283 3.228 3.176 3.126 3.079 3.035 19.497 17.134 15.166 13.521 12.135 10.957 9.947 9.076 8.318 7.654 7.070 6.552 6.091 5.679 5.311 4.686 4.576 4.471 4.371 4.274 4.182 4.093 4.008 3.926 3.847 3.772 3.699 3.629 3.561 3.496 3.434 3.373 3.315 3.258 3.204 3.151 19.631 17.279 15.310 13.662 12.273 11.092 10.080 9.207 8.450 7.788 7.206 6.692 6.235 5.828 5.465 4.848 4.739 4.636 4.536 4.441 4.349 4.262 4.177 4.096 4.018 3.943 3.870 3.800 3.733 3.668 3.605 3.544 3.485 3.427 3.371 3.317 19.757 17.416 15.447 13.796 12.403 11.219 10.205 9.331 8.573 7.911 7.331 6.820 6.367 5.964 5.604 4.995 4.889 4.787 4.689 4.595 4.504 4.418 4.335 4.255 4.178 4.104 4.033 3.964 3.898 3.834 3.772 3.712 3.654 3.597 3.542 3.489 19.875 17.546 15.577 13.923 12.527 11.340 10.324 9.448 8.688 8.027 7.448 6.938 6.488 6.088 5.732 5.131 5.026 4.925 4.828 4.736 4.647 4.562 4.480 4.402 4.326 4.254 4.184 4.117 4.052 3.989 3.929 3.870 3.813 3.758 3.705 3.653 19.988 17.671 15.702 14.045 12.646 11.456 10.437 9.559 8.798 8.136 7.558 7.049 6.601 6.203 5.851 5.256 5.152 5.052 4.957 4.866 4.779 4.695 4.614 4.537 4.463 4.392 4.324 4.258 4.194 4.133 4.074 4.017 3.961 3.908 3.856 3.806 99999.999 17.792 15.822 14.163 12.760 11.567 10.545 9.665 8.903 8.241 7.662 7.154 6.706 6.311 5.961 5.371 5.268 5.170 5.076 4.986 4.900 4.817 4.738 4.662 4.590 4.520 4.452 4.388 4.325 4.266 4.208 4.152 4.098 4.046 3.995 3.946 TbO2H,aq TbO2H(AQ) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 3.000 Ref: Shock07 3 -3.000 1 2.000 2 1.000 59 28.683 25.051 22.150 19.788 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.683 25.051 22.150 19.788 17.836 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.683 25.051 22.150 19.788 17.836 16.203 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.684 25.053 22.152 19.789 17.837 16.204 14.822 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.686 25.055 22.153 19.791 17.839 16.206 14.824 13.640 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.689 25.058 22.157 19.794 17.842 16.209 14.827 13.643 12.619 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.693 25.062 22.161 19.799 17.847 16.214 14.832 13.648 12.624 11.725 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.700 25.069 22.168 19.805 17.854 16.221 14.839 13.656 12.632 11.734 10.929 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.708 25.078 22.177 19.814 17.863 16.230 14.848 13.666 12.643 11.746 10.944 10.209 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.719 25.090 22.189 19.826 17.874 16.242 14.861 13.679 12.657 11.762 10.963 10.233 9.555 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.734 25.105 22.204 19.842 17.890 16.257 14.877 13.696 12.676 11.783 10.987 10.263 9.591 8.986 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.752 25.125 22.224 19.861 17.909 16.277 14.897 13.718 12.699 11.809 11.018 10.302 9.639 9.025 8.574 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.767 25.140 22.239 19.876 17.924 16.293 14.913 13.735 12.717 11.829 11.042 10.331 9.676 9.065 8.497 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.786 25.161 22.261 19.898 17.946 16.314 14.935 13.758 12.742 11.857 11.074 10.371 9.728 9.127 8.518 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.806 25.182 22.282 19.918 17.966 16.335 14.957 13.781 12.767 11.884 11.106 10.410 9.778 9.192 8.587 12.596 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.825 25.203 22.302 19.939 17.987 16.356 14.978 13.803 12.791 11.910 11.136 10.447 9.826 9.255 8.672 9.947 11.103 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.843 25.223 22.322 19.959 18.007 16.376 14.999 13.825 12.814 11.936 11.165 10.483 9.872 9.316 8.760 9.313 9.736 10.474 11.531 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.862 25.242 22.342 19.979 18.026 16.396 15.019 13.846 12.837 11.961 11.194 10.517 9.915 9.373 8.845 9.037 9.227 9.563 10.089 10.793 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.879 25.262 22.362 19.998 18.046 16.415 15.039 13.867 12.859 11.985 11.221 10.549 9.955 9.426 8.925 8.889 8.973 9.140 9.414 9.811 10.320 10.881 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.897 25.281 22.381 20.017 18.065 16.434 15.059 13.887 12.881 12.008 11.247 10.580 9.993 9.475 8.998 8.802 8.828 8.908 9.056 9.282 9.594 9.980 10.408 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.914 25.299 22.400 20.036 18.083 16.453 15.078 13.907 12.902 12.031 11.273 10.610 10.029 9.520 9.062 8.749 8.740 8.769 8.844 8.973 9.163 9.415 9.719 10.058 10.404 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.931 25.318 22.418 20.054 18.102 16.471 15.097 13.927 12.923 12.054 11.298 10.638 10.062 9.561 9.119 8.718 8.685 8.681 8.711 8.780 8.894 9.055 9.262 9.510 9.785 10.073 10.358 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.947 25.336 22.436 20.072 18.120 16.489 15.115 13.946 12.943 12.076 11.322 10.665 10.093 9.598 9.169 8.701 8.651 8.624 8.624 8.654 8.718 8.818 8.956 9.130 9.336 9.566 9.810 10.059 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.963 25.353 22.454 20.090 18.137 16.507 15.133 13.965 12.963 12.097 11.345 10.690 10.122 9.632 9.211 8.694 8.631 8.589 8.567 8.570 8.599 8.657 8.746 8.865 9.014 9.189 9.385 9.596 9.816 10.040 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.979 25.371 22.472 20.107 18.155 16.525 15.151 13.983 12.982 12.118 11.367 10.715 10.149 9.662 9.247 8.693 8.622 8.567 8.530 8.513 8.518 8.546 8.599 8.678 8.782 8.911 9.063 9.233 9.418 9.614 9.819 99999.999 99999.999 99999.999 99999.999 99999.999 28.994 25.388 22.489 20.125 18.172 16.542 15.169 14.001 13.001 12.138 11.389 10.738 10.174 9.689 9.278 8.697 8.619 8.555 8.507 8.475 8.462 8.468 8.495 8.543 8.614 8.706 8.820 8.953 9.103 9.268 9.445 9.633 9.830 99999.999 99999.999 99999.999 29.009 25.405 22.506 20.142 18.189 16.559 15.186 14.019 13.020 12.158 11.411 10.761 10.199 9.715 9.304 8.705 8.621 8.550 8.493 8.451 8.424 8.413 8.420 8.446 8.490 8.554 8.637 8.738 8.857 8.991 9.140 9.301 9.474 9.658 99999.999 99999.999 29.024 25.421 22.523 20.158 18.205 16.575 15.203 14.037 13.038 12.177 11.431 10.783 10.222 9.738 9.328 8.716 8.628 8.551 8.487 8.436 8.399 8.375 8.367 8.375 8.399 8.440 8.499 8.574 8.665 8.772 8.893 9.028 9.176 9.336 9.508 9.691 29.039 25.437 22.539 20.175 18.222 16.592 15.219 14.054 13.056 12.197 11.452 10.805 10.244 9.761 9.350 8.729 8.638 8.557 8.487 8.429 8.383 8.350 8.330 8.324 8.332 8.355 8.394 8.447 8.516 8.599 8.696 8.807 8.931 9.067 9.216 9.376 29.170 25.587 22.692 20.327 18.373 16.743 15.372 14.211 13.220 12.370 11.635 10.999 10.448 9.971 9.560 8.909 8.803 8.705 8.614 8.530 8.453 8.382 8.318 8.260 8.209 8.164 8.125 8.092 8.065 8.045 8.030 8.022 8.021 8.025 8.036 8.053 29.279 25.717 22.826 20.461 18.506 16.875 15.506 14.347 13.361 12.517 11.791 11.164 10.621 10.152 9.747 9.100 8.993 8.893 8.799 8.711 8.629 8.553 8.481 8.415 8.354 8.297 8.244 8.196 8.152 8.111 8.075 8.042 8.012 7.986 7.963 7.943 29.372 25.831 22.945 20.580 18.624 16.993 15.624 14.467 13.484 12.644 11.925 11.305 10.770 10.309 9.911 9.274 9.169 9.070 8.977 8.890 8.809 8.732 8.661 8.594 8.532 8.473 8.419 8.368 8.321 8.277 8.236 8.198 8.162 8.129 8.099 8.071 29.452 25.933 23.053 20.688 18.732 17.100 15.731 14.574 13.593 12.757 12.042 11.428 10.900 10.446 10.055 9.431 9.327 9.231 9.140 9.055 8.975 8.900 8.831 8.765 8.704 8.647 8.594 8.544 8.497 8.454 8.413 8.375 8.340 8.307 8.276 8.247 29.522 26.025 23.151 20.787 18.830 17.198 15.828 14.672 13.693 12.859 12.147 11.538 11.016 10.567 10.182 9.570 9.469 9.374 9.286 9.203 9.125 9.053 8.985 8.922 8.862 8.807 8.756 8.708 8.663 8.622 8.583 8.547 8.513 8.482 8.453 8.426 29.583 26.109 23.241 20.879 18.921 17.289 15.918 14.762 13.783 12.952 12.243 11.637 11.119 10.675 10.295 9.694 9.595 9.503 9.417 9.336 9.260 9.190 9.124 9.063 9.006 8.953 8.903 8.858 8.815 8.775 8.739 8.705 8.673 8.644 8.617 8.592 29.637 26.188 23.325 20.964 19.006 17.373 16.002 14.846 13.867 13.037 12.330 11.727 11.212 10.773 10.397 9.806 9.709 9.619 9.534 9.456 9.382 9.313 9.250 9.190 9.135 9.084 9.037 8.993 8.952 8.915 8.880 8.848 8.819 8.792 8.767 8.744 99999.999 26.261 23.404 21.044 19.086 17.452 16.081 14.924 13.946 13.116 12.410 11.809 11.297 10.861 10.490 9.907 9.812 9.723 9.641 9.564 9.492 9.425 9.363 9.306 9.252 9.203 9.158 9.116 9.077 9.041 9.008 8.978 8.951 8.926 8.903 8.882 TbO2- TbO2- P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 4.000 Ref: Shock07 3 -4.000 1 2.000 2 1.000 59 38.456 34.213 30.767 27.919 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.456 34.213 30.767 27.919 25.534 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.456 34.214 30.767 27.919 25.535 23.516 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.457 34.215 30.768 27.920 25.536 23.517 21.792 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.459 34.217 30.770 27.922 25.537 23.519 21.794 20.307 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.462 34.219 30.773 27.925 25.540 23.521 21.796 20.310 19.020 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.465 34.224 30.777 27.929 25.544 23.525 21.800 20.313 19.024 17.899 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.471 34.229 30.783 27.934 25.549 23.530 21.805 20.319 19.029 17.904 16.916 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.478 34.237 30.791 27.942 25.557 23.538 21.812 20.326 19.037 17.911 16.923 16.055 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.488 34.248 30.801 27.952 25.567 23.548 21.822 20.336 19.046 17.921 16.933 16.064 15.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.501 34.262 30.815 27.966 25.580 23.560 21.835 20.348 19.059 17.934 16.947 16.078 15.325 14.750 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.517 34.279 30.832 27.983 25.596 23.576 21.851 20.364 19.075 17.950 16.963 16.095 15.339 14.723 14.513 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.529 34.293 30.846 27.996 25.609 23.589 21.863 20.376 19.087 17.963 16.976 16.109 15.352 14.719 14.309 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.547 34.312 30.864 28.014 25.627 23.606 21.880 20.393 19.104 17.980 16.995 16.129 15.373 14.728 14.207 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.564 34.330 30.883 28.032 25.644 23.623 21.897 20.410 19.121 17.997 17.013 16.149 15.395 14.745 14.184 19.652 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.580 34.348 30.901 28.050 25.661 23.640 21.913 20.426 19.137 18.014 17.031 16.169 15.416 14.767 14.194 15.923 17.595 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.597 34.366 30.919 28.067 25.678 23.656 21.929 20.443 19.154 18.030 17.048 16.188 15.438 14.791 14.219 14.987 15.626 16.728 18.361 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.613 34.384 30.936 28.084 25.695 23.672 21.945 20.458 19.169 18.046 17.065 16.206 15.459 14.815 14.249 14.542 14.854 15.379 16.188 17.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.628 34.401 30.953 28.101 25.711 23.688 21.961 20.474 19.185 18.062 17.081 16.224 15.479 14.838 14.281 14.277 14.438 14.720 15.160 15.790 16.611 17.565 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.643 34.417 30.970 28.117 25.727 23.704 21.976 20.489 19.200 18.077 17.097 16.241 15.497 14.860 14.311 14.100 14.177 14.332 14.586 14.961 15.471 16.110 16.846 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.658 34.434 30.987 28.133 25.742 23.719 21.991 20.504 19.215 18.092 17.112 16.257 15.515 14.880 14.338 13.975 13.997 14.077 14.224 14.454 14.777 15.199 15.715 16.304 16.932 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.673 34.450 31.003 28.149 25.758 23.734 22.006 20.518 19.230 18.107 17.127 16.272 15.531 14.898 14.361 13.883 13.868 13.897 13.977 14.116 14.323 14.604 14.962 15.389 15.873 16.393 16.927 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.687 34.466 31.019 28.165 25.773 23.749 22.020 20.533 19.244 18.122 17.142 16.287 15.547 14.913 14.380 13.813 13.771 13.765 13.798 13.877 14.008 14.195 14.442 14.748 15.110 15.516 15.955 16.412 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.701 34.482 31.035 28.180 25.788 23.763 22.034 20.547 19.258 18.136 17.156 16.301 15.561 14.927 14.395 13.759 13.697 13.664 13.665 13.701 13.778 13.900 14.069 14.288 14.554 14.865 15.213 15.589 15.984 16.389 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.715 34.497 31.050 28.195 25.803 23.778 22.048 20.561 19.272 18.150 17.170 16.315 15.574 14.939 14.406 13.716 13.639 13.586 13.562 13.567 13.606 13.680 13.793 13.947 14.141 14.376 14.646 14.948 15.274 15.620 15.979 99999.999 99999.999 99999.999 99999.999 99999.999 38.729 34.512 31.065 28.210 25.817 23.792 22.062 20.574 19.285 18.163 17.183 16.328 15.586 14.949 14.415 13.682 13.593 13.525 13.481 13.463 13.472 13.511 13.583 13.688 13.828 14.002 14.209 14.447 14.712 15.000 15.305 15.624 15.954 99999.999 99999.999 99999.999 38.742 34.527 31.080 28.225 25.831 23.805 22.076 20.588 19.299 18.177 17.197 16.341 15.598 14.959 14.420 13.656 13.556 13.476 13.417 13.380 13.367 13.379 13.419 13.487 13.584 13.712 13.869 14.054 14.265 14.500 14.755 15.027 15.313 15.611 99999.999 99999.999 38.755 34.542 31.095 28.239 25.845 23.819 22.089 20.601 19.312 18.190 17.210 16.353 15.609 14.967 14.425 13.635 13.527 13.436 13.365 13.313 13.282 13.274 13.288 13.328 13.392 13.483 13.599 13.741 13.908 14.097 14.307 14.535 14.779 15.037 15.306 15.586 38.767 34.556 31.110 28.253 25.859 23.832 22.102 20.614 19.325 18.203 17.222 16.366 15.620 14.976 14.429 13.618 13.503 13.404 13.323 13.259 13.214 13.188 13.183 13.199 13.238 13.299 13.383 13.490 13.619 13.770 13.940 14.129 14.334 14.554 14.787 15.032 38.882 34.689 31.244 28.385 25.986 23.956 22.223 20.733 19.443 18.321 17.340 16.480 15.727 15.069 14.496 13.580 13.431 13.292 13.164 13.046 12.938 12.840 12.752 12.673 12.604 12.545 12.495 12.455 12.424 12.402 12.390 12.386 12.391 12.405 12.428 12.459 38.979 34.804 31.362 28.500 26.099 24.065 22.329 20.836 19.546 18.423 17.442 16.582 15.827 15.163 14.581 13.629 13.468 13.317 13.175 13.041 12.915 12.798 12.687 12.585 12.489 12.400 12.317 12.241 12.172 12.108 12.050 11.997 11.950 11.909 11.872 11.840 39.061 34.905 31.467 28.604 26.199 24.162 22.423 20.928 19.636 18.513 17.532 16.672 15.917 15.251 14.666 13.698 13.533 13.377 13.229 13.089 12.956 12.830 12.712 12.600 12.494 12.394 12.300 12.211 12.127 12.049 11.975 11.906 11.841 11.780 11.723 11.670 39.132 34.997 31.562 28.698 26.291 24.250 22.509 21.012 19.718 18.594 17.613 16.753 15.997 15.332 14.745 13.771 13.604 13.445 13.295 13.152 13.016 12.887 12.764 12.648 12.538 12.433 12.334 12.239 12.150 12.065 11.985 11.909 11.837 11.768 11.703 11.641 39.194 35.079 31.649 28.784 26.375 24.332 22.587 21.088 19.792 18.667 17.686 16.826 16.071 15.405 14.818 13.842 13.674 13.514 13.362 13.218 13.080 12.950 12.825 12.707 12.595 12.488 12.386 12.289 12.197 12.110 12.026 11.947 11.872 11.800 11.731 11.666 39.249 35.155 31.729 28.864 26.453 24.407 22.660 21.159 19.861 18.735 17.752 16.892 16.137 15.472 14.885 13.908 13.740 13.580 13.427 13.282 13.144 13.013 12.888 12.768 12.655 12.547 12.444 12.346 12.253 12.164 12.079 11.999 11.922 11.849 11.779 11.712 39.297 35.226 31.804 28.939 26.526 24.478 22.728 21.225 19.925 18.797 17.814 16.954 16.198 15.533 14.947 13.970 13.802 13.642 13.489 13.344 13.205 13.074 12.948 12.829 12.715 12.606 12.503 12.404 12.311 12.221 12.136 12.055 11.977 11.903 11.833 11.765 99999.999 35.292 31.875 29.010 26.595 24.545 22.793 21.287 19.986 18.856 17.872 17.011 16.255 15.590 15.004 14.028 13.860 13.699 13.547 13.402 13.263 13.131 13.006 12.886 12.772 12.663 12.560 12.461 12.367 12.277 12.192 12.110 12.033 11.959 11.888 11.820 TbNO3+2 TbNO3+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 6 -1.000 1 -1.000 2 -1.000 6 1.000 59 1.000 32 1.000 4 92.906 84.950 78.073 72.087 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.906 84.950 78.073 72.087 66.828 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.907 84.951 78.074 72.088 66.829 62.165 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.909 84.952 78.075 72.089 66.830 62.166 57.992 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.913 84.955 78.078 72.092 66.833 62.169 57.995 54.227 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.918 84.960 78.082 72.096 66.837 62.173 57.999 54.231 50.802 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.926 84.967 78.089 72.102 66.843 62.179 58.005 54.238 50.809 47.659 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.937 84.977 78.098 72.111 66.852 62.188 58.014 54.248 50.820 47.671 44.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.953 84.991 78.111 72.124 66.864 62.200 58.027 54.261 50.834 47.688 44.769 42.024 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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51.620 48.538 45.715 43.115 40.709 38.474 36.387 32.592 31.886 31.195 30.519 29.857 29.208 28.572 27.949 27.336 26.735 26.145 25.564 24.994 24.433 23.882 23.340 22.806 22.282 21.766 21.260 20.762 94.109 86.029 79.079 73.049 67.767 63.097 58.936 55.199 51.821 48.748 45.936 43.351 40.961 38.744 36.678 32.933 32.238 31.559 30.895 30.246 29.611 28.990 28.381 27.784 27.199 26.626 26.063 25.510 24.967 24.434 23.911 23.396 22.890 22.392 21.902 21.421 94.326 86.228 79.267 73.229 67.942 63.270 59.109 55.374 52.000 48.934 46.130 43.555 41.178 38.974 36.924 33.215 32.528 31.857 31.202 30.562 29.936 29.324 28.725 28.139 27.564 27.002 26.450 25.909 25.378 24.857 24.345 23.842 23.349 22.863 22.386 21.917 94.522 86.409 79.439 73.394 68.103 63.429 59.266 55.533 52.162 49.100 46.303 43.736 41.369 39.176 37.138 33.456 32.775 32.110 31.461 30.828 30.209 29.604 29.012 28.433 27.867 27.312 26.768 26.235 25.713 25.200 24.697 24.203 23.718 23.242 22.774 22.314 94.700 86.576 79.596 73.546 68.251 63.574 59.411 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2. 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-15.886 -16.194 -16.515 -16.848 -17.194 -17.550 -17.915 -18.283 99999.999 99999.999 99999.999 99999.999 99999.999 -9.368 -8.972 -8.827 -8.831 -8.934 -9.112 -9.347 -9.631 -9.957 -10.321 -10.719 -11.147 -11.604 -12.086 -12.596 -13.680 -13.914 -14.153 -14.398 -14.650 -14.908 -15.175 -15.449 -15.732 -16.024 -16.326 -16.636 -16.956 -17.283 -17.616 -17.952 -18.288 -18.620 99999.999 99999.999 99999.999 -9.348 -8.952 -8.807 -8.810 -8.913 -9.090 -9.324 -9.606 -9.929 -10.289 -10.683 -11.106 -11.557 -12.031 -12.531 -13.600 -13.828 -14.062 -14.301 -14.546 -14.797 -15.055 -15.320 -15.592 -15.871 -16.158 -16.452 -16.753 -17.059 -17.370 -17.683 -17.996 -18.306 -18.609 99999.999 99999.999 -9.327 -8.932 -8.787 -8.790 -8.893 -9.068 -9.301 -9.581 -9.902 -10.259 -10.648 -11.067 -11.511 -11.979 -12.470 -13.523 -13.746 -13.975 -14.208 -14.447 -14.692 -14.943 -15.199 -15.462 -15.731 -16.006 -16.288 -16.574 -16.865 -17.159 -17.455 -17.751 -18.044 -18.332 -18.613 -18.883 -9.308 -8.912 -8.768 -8.770 -8.873 -9.047 -9.279 -9.557 -9.875 -10.229 -10.614 -11.028 -11.468 -11.930 -12.413 -13.449 -13.668 -13.892 -14.120 -14.354 -14.592 -14.836 -15.086 -15.341 -15.601 -15.867 -16.137 -16.413 -16.691 -16.973 -17.256 -17.538 -17.819 -18.096 -18.366 -18.628 -9.129 -8.730 -8.585 -8.586 -8.684 -8.851 -9.071 -9.333 -9.630 -9.957 -10.311 -10.688 -11.085 -11.499 -11.929 -12.834 -13.022 -13.212 -13.405 -13.601 -13.799 -14.000 -14.204 -14.411 -14.620 -14.832 -15.046 -15.262 -15.481 -15.701 -15.923 -16.146 -16.370 -16.594 -16.817 -17.040 -8.980 -8.572 -8.424 -8.423 -8.517 -8.678 -8.889 -9.139 -9.420 -9.727 -10.058 -10.407 -10.774 -11.154 -11.547 -12.365 -12.534 -12.704 -12.875 -13.049 -13.224 -13.401 -13.579 -13.760 -13.942 -14.126 -14.311 -14.498 -14.687 -14.877 -15.069 -15.262 -15.456 -15.652 -15.848 -16.045 -8.855 -8.433 -8.281 -8.277 -8.367 -8.523 -8.727 -8.967 -9.236 -9.528 -9.840 -10.169 -10.511 -10.866 -11.231 -11.985 -12.140 -12.296 -12.452 -12.610 -12.770 -12.930 -13.092 -13.254 -13.419 -13.584 -13.750 -13.918 -14.087 -14.257 -14.429 -14.601 -14.775 -14.950 -15.126 -15.303 -8.748 -8.310 -8.152 -8.144 -8.231 -8.382 -8.580 -8.813 -9.072 -9.352 -9.649 -9.961 -10.285 -10.619 -10.961 -11.667 -11.811 -11.955 -12.101 -12.247 -12.395 -12.543 -12.692 -12.842 -12.993 -13.145 -13.297 -13.451 -13.606 -13.761 -13.918 -14.075 -14.234 -14.393 -14.554 -14.715 -8.656 -8.200 -8.035 -8.023 -8.106 -8.253 -8.446 -8.672 -8.923 -9.194 -9.479 -9.777 -10.086 -10.403 -10.727 -11.393 -11.528 -11.664 -11.801 -11.938 -12.076 -12.215 -12.354 -12.494 -12.635 -12.776 -12.919 -13.062 -13.205 -13.350 -13.495 -13.641 -13.788 -13.936 -14.084 -14.234 -8.576 -8.100 -7.928 -7.912 -7.991 -8.135 -8.323 -8.544 -8.788 -9.050 -9.326 -9.613 -9.909 -10.212 -10.521 -11.153 -11.282 -11.410 -11.540 -11.670 -11.800 -11.931 -12.063 -12.195 -12.328 -12.461 -12.595 -12.729 -12.864 -13.000 -13.136 -13.273 -13.411 -13.550 -13.689 -13.829 -8.506 -8.009 -7.830 -7.809 -7.885 -8.024 -8.209 -8.424 -8.663 -8.918 -9.186 -9.464 -9.749 -10.040 -10.337 -10.941 -11.064 -11.187 -11.310 -11.434 -11.558 -11.683 -11.808 -11.933 -12.059 -12.186 -12.313 -12.440 -12.568 -12.697 -12.826 -12.956 -13.087 -13.218 -13.349 -13.482 99999.999 -7.924 -7.738 -7.713 -7.785 -7.922 -8.102 -8.313 -8.547 -8.797 -9.058 -9.327 -9.604 -9.885 -10.171 -10.751 -10.869 -10.987 -11.105 -11.224 -11.343 -11.462 -11.582 -11.702 -11.822 -11.943 -12.065 -12.186 -12.309 -12.432 -12.555 -12.679 -12.803 -12.928 -13.054 -13.181 Dy+2 Dy(+2) P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 5 -1.125 1 -0.125 4 1.000 60 0.125 6 0.500 2 50.148 45.186 40.980 37.372 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.148 45.186 40.980 37.372 34.240 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.149 45.187 40.981 37.372 34.241 31.495 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.149 45.187 40.981 37.373 34.241 31.496 29.066 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.150 45.188 40.982 37.374 34.242 31.497 29.067 26.898 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.152 45.190 40.984 37.376 34.244 31.499 29.069 26.900 24.950 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.155 45.193 40.987 37.378 34.247 31.501 29.071 26.903 24.953 23.187 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.159 45.197 40.991 37.382 34.251 31.505 29.075 26.907 24.957 23.191 21.579 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.164 45.202 40.996 37.387 34.256 31.510 29.081 26.913 24.963 23.198 21.586 20.104 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.170 45.209 41.003 37.394 34.263 31.517 29.088 26.920 24.971 23.206 21.595 20.115 18.753 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.179 45.219 41.012 37.403 34.272 31.526 29.097 26.930 24.981 23.217 21.608 20.129 18.767 17.537 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.191 45.230 41.024 37.415 34.283 31.538 29.109 26.942 24.994 23.231 21.623 20.148 18.787 17.542 16.521 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.199 45.239 41.033 37.424 34.292 31.547 29.118 26.951 25.004 23.241 21.635 20.162 18.804 17.554 16.437 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.212 45.252 41.046 37.436 34.304 31.559 29.131 26.964 25.018 23.256 21.652 20.181 18.827 17.577 16.415 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.224 45.265 41.059 37.449 34.317 31.571 29.143 26.977 25.031 23.271 21.668 20.201 18.850 17.604 16.430 17.825 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.236 45.278 41.071 37.461 34.329 31.584 29.155 26.990 25.045 23.285 21.684 20.219 18.873 17.631 16.461 15.856 16.444 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.248 45.290 41.083 37.473 34.341 31.596 29.168 27.003 25.058 23.299 21.700 20.237 18.895 17.659 16.497 15.381 15.422 15.710 16.278 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.260 45.302 41.096 37.486 34.353 31.608 29.180 27.015 25.071 23.313 21.715 20.255 18.916 17.685 16.533 15.165 15.035 15.020 15.159 15.458 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.271 45.315 41.108 37.497 34.365 31.619 29.192 27.027 25.083 23.327 21.730 20.272 18.936 17.710 16.569 15.043 14.834 14.694 14.641 14.690 14.842 15.063 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.283 45.327 41.120 37.509 34.376 31.631 29.203 27.039 25.096 23.340 21.744 20.288 18.955 17.733 16.602 14.966 14.715 14.509 14.360 14.278 14.270 14.332 14.446 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.294 45.339 41.132 37.521 34.388 31.642 29.215 27.051 25.108 23.353 21.758 20.303 18.973 17.755 16.631 14.916 14.637 14.392 14.189 14.032 13.928 13.880 13.884 13.928 13.995 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.305 45.350 41.143 37.532 34.399 31.654 29.226 27.063 25.120 23.365 21.772 20.318 18.990 17.774 16.657 14.881 14.584 14.315 14.077 13.874 13.711 13.591 13.515 13.478 13.474 13.491 13.519 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.316 45.362 41.155 37.544 34.410 31.665 29.238 27.074 25.132 23.378 21.785 20.333 19.006 17.792 16.680 14.858 14.547 14.261 13.999 13.767 13.565 13.397 13.265 13.167 13.102 13.063 13.045 13.041 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.327 45.373 41.166 37.555 34.422 31.676 29.249 27.086 25.144 23.390 21.798 20.346 19.020 17.808 16.699 14.842 14.522 14.222 13.945 13.691 13.463 13.262 13.091 12.949 12.835 12.749 12.686 12.641 12.611 12.591 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.338 45.385 41.178 37.566 34.433 31.687 29.260 27.097 25.156 23.402 21.810 20.360 19.034 17.823 16.716 14.832 14.504 14.195 13.905 13.636 13.389 13.165 12.965 12.791 12.641 12.517 12.415 12.333 12.269 12.219 12.181 99999.999 99999.999 99999.999 99999.999 99999.999 50.348 45.396 41.189 37.577 34.443 31.698 29.270 27.108 25.167 23.414 21.823 20.373 19.048 17.836 16.730 14.825 14.492 14.176 13.877 13.596 13.335 13.093 12.873 12.674 12.498 12.343 12.210 12.096 12.001 11.922 11.857 11.804 11.762 99999.999 99999.999 99999.999 50.359 45.407 41.200 37.588 34.454 31.708 29.281 27.119 25.178 23.426 21.835 20.385 19.060 17.849 16.742 14.823 14.485 14.162 13.856 13.567 13.295 13.040 12.804 12.587 12.389 12.211 12.053 11.913 11.791 11.685 11.594 11.517 11.452 11.399 99999.999 99999.999 50.369 45.418 41.211 37.599 34.465 31.719 29.292 27.130 25.189 23.437 21.847 20.397 19.073 17.861 16.752 14.822 14.480 14.154 13.842 13.545 13.264 13.000 12.752 12.520 12.307 12.110 11.932 11.770 11.626 11.497 11.383 11.284 11.197 11.122 11.058 11.005 50.379 45.429 41.222 37.610 34.475 31.729 29.302 27.140 25.200 23.449 21.859 20.409 19.085 17.872 16.762 14.824 14.479 14.148 13.832 13.530 13.242 12.969 12.712 12.469 12.243 12.032 11.837 11.658 11.495 11.347 11.213 11.093 10.987 10.892 10.809 10.736 50.476 45.534 41.327 37.712 34.576 31.829 29.402 27.241 25.303 23.555 21.968 20.522 19.199 17.985 16.868 14.891 14.532 14.185 13.849 13.523 13.208 12.902 12.607 12.321 12.044 11.777 11.518 11.268 11.027 10.795 10.571 10.355 10.148 9.948 9.756 9.572 50.564 45.630 41.423 37.808 34.670 31.921 29.493 27.332 25.396 23.649 22.066 20.622 19.302 18.089 16.972 14.987 14.625 14.273 13.932 13.601 13.280 12.967 12.663 12.367 12.080 11.801 11.529 11.264 11.006 10.756 10.512 10.274 10.042 9.817 9.597 9.383 50.646 45.720 41.514 37.897 34.757 32.007 29.578 27.417 25.481 23.736 22.154 20.713 19.395 18.184 17.069 15.083 14.721 14.368 14.026 13.694 13.370 13.055 12.749 12.451 12.161 11.878 11.602 11.333 11.071 10.815 10.565 10.321 10.082 9.849 9.622 9.399 50.722 45.806 41.600 37.982 34.840 32.088 29.658 27.496 25.560 23.816 22.235 20.796 19.480 18.272 17.158 15.175 14.813 14.460 14.118 13.785 13.462 13.147 12.840 12.541 12.250 11.966 11.689 11.419 11.156 10.898 10.647 10.401 10.160 9.925 9.695 9.470 50.794 45.887 41.683 38.063 34.920 32.166 29.734 27.571 25.635 23.890 22.311 20.873 19.559 18.352 17.241 15.260 14.899 14.547 14.205 13.873 13.549 13.234 12.928 12.629 12.338 12.054 11.778 11.507 11.244 10.986 10.734 10.488 10.248 10.012 9.782 9.556 50.862 45.965 41.762 38.141 34.996 32.240 29.807 27.643 25.706 23.961 22.382 20.945 19.632 18.427 17.317 15.340 14.979 14.628 14.287 13.955 13.632 13.317 13.011 12.713 12.422 12.139 11.862 11.593 11.329 11.072 10.821 10.575 10.335 10.100 9.869 9.644 50.928 46.040 41.838 38.216 35.069 32.312 29.877 27.711 25.773 24.029 22.449 21.013 19.701 18.497 17.388 15.415 15.054 14.703 14.363 14.031 13.709 13.395 13.089 12.792 12.502 12.219 11.943 11.673 11.411 11.154 10.903 10.658 10.418 10.183 9.954 9.729 99999.999 46.114 41.912 38.289 35.140 32.381 29.945 27.778 25.839 24.093 22.514 21.078 19.766 18.563 17.455 15.484 15.124 14.774 14.434 14.103 13.781 13.468 13.163 12.866 12.576 12.293 12.018 11.749 11.487 11.231 10.980 10.736 10.496 10.262 10.033 9.809 Dy+4 Dy(+4) P-T:All Charge = 4. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 5 1.125 1 0.125 4 1.000 60 -0.125 6 -0.500 2 76.988 71.288 66.404 62.176 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.988 71.288 66.404 62.176 58.483 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.988 71.288 66.404 62.176 58.482 55.228 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.988 71.288 66.403 62.176 58.482 55.228 52.341 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.988 71.288 66.403 62.175 58.482 55.228 52.340 49.762 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.987 71.288 66.403 62.175 58.481 55.227 52.339 49.761 47.445 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.987 71.287 66.402 62.174 58.480 55.226 52.338 49.759 47.443 45.354 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.986 71.286 66.401 62.173 58.479 55.225 52.336 49.757 47.441 45.351 43.460 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.985 71.285 66.400 62.172 58.477 55.223 52.334 49.754 47.438 45.347 43.455 41.737 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.984 71.283 66.398 62.170 58.475 55.220 52.331 49.751 47.433 45.342 43.449 41.729 40.153 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.983 71.281 66.396 62.167 58.472 55.217 52.327 49.746 47.428 45.336 43.441 41.719 40.143 38.653 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.981 71.279 66.393 62.164 58.468 55.212 52.322 49.740 47.421 45.327 43.431 41.706 40.129 38.660 37.117 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.979 71.277 66.390 62.161 58.466 55.209 52.318 49.736 47.416 45.321 43.423 41.696 40.117 38.655 37.239 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.978 71.274 66.387 62.158 58.462 55.205 52.313 49.730 47.408 45.312 43.412 41.681 40.099 38.640 37.287 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.976 71.272 66.384 62.154 58.458 55.200 52.308 49.724 47.401 45.304 43.401 41.667 40.081 38.619 37.285 30.352 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.974 71.269 66.381 62.151 58.454 55.196 52.303 49.718 47.394 45.296 43.391 41.654 40.063 38.597 37.262 32.986 31.262 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.972 71.267 66.378 62.148 58.450 55.192 52.298 49.712 47.388 45.288 43.381 41.641 40.045 38.574 37.232 33.618 32.627 31.326 29.652 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.971 71.264 66.376 62.144 58.447 55.187 52.293 49.706 47.381 45.280 43.371 41.629 40.029 38.553 37.200 33.911 33.145 32.250 31.172 29.890 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.969 71.262 66.373 62.141 58.443 55.183 52.289 49.701 47.375 45.272 43.362 41.617 40.014 38.532 37.168 34.081 33.418 32.690 31.870 30.932 29.873 28.727 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.968 71.260 66.370 62.138 58.440 55.180 52.284 49.696 47.369 45.265 43.353 41.606 40.000 38.513 37.139 34.191 33.585 32.943 32.251 31.491 30.653 29.736 28.760 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.967 71.258 66.367 62.135 58.436 55.176 52.280 49.691 47.363 45.258 43.345 41.596 39.987 38.496 37.113 34.268 33.697 33.106 32.486 31.826 31.116 30.353 29.536 28.679 27.801 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.965 71.255 66.365 62.132 58.433 55.172 52.275 49.686 47.357 45.251 43.337 41.586 39.975 38.481 37.091 34.323 33.776 33.218 32.643 32.044 31.414 30.748 30.043 29.301 28.530 27.742 26.950 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.964 71.253 66.362 62.129 58.430 55.168 52.271 49.681 47.351 45.244 43.329 41.577 39.964 38.468 37.073 34.363 33.834 33.299 32.754 32.195 31.617 31.015 30.386 29.728 29.044 28.339 27.621 26.897 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.963 71.251 66.360 62.127 58.427 55.165 52.267 49.676 47.345 45.238 43.321 41.568 39.954 38.457 37.058 34.393 33.877 33.359 32.836 32.305 31.762 31.204 30.627 30.031 29.413 28.776 28.123 27.460 26.790 26.119 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.962 71.249 66.358 62.124 58.424 55.161 52.263 49.671 47.340 45.231 43.314 41.560 39.945 38.447 37.047 34.416 33.910 33.404 32.897 32.386 31.869 31.342 30.803 30.250 29.682 29.099 28.501 27.891 27.272 26.648 26.020 99999.999 99999.999 99999.999 99999.999 99999.999 76.961 71.248 66.355 62.121 58.421 55.158 52.259 49.667 47.335 45.225 43.307 41.552 39.937 38.439 37.038 34.434 33.935 33.439 32.944 32.448 31.950 31.446 30.935 30.415 29.884 29.341 28.787 28.222 27.648 27.067 26.481 25.891 25.299 99999.999 99999.999 99999.999 76.960 71.246 66.353 62.119 58.418 55.154 52.255 49.662 47.329 45.219 43.300 41.545 39.929 38.431 37.032 34.447 33.954 33.465 32.980 32.496 32.012 31.526 31.036 30.540 30.037 29.526 29.007 28.479 27.943 27.399 26.850 26.297 25.740 25.180 99999.999 99999.999 76.959 71.244 66.351 62.116 58.415 55.151 52.251 49.658 47.324 45.213 43.294 41.538 39.922 38.425 37.027 34.456 33.968 33.486 33.008 32.534 32.061 31.588 31.114 30.637 30.156 29.670 29.178 28.680 28.175 27.664 27.147 26.626 26.101 25.573 25.042 24.510 76.958 71.242 66.348 62.114 58.412 55.148 52.248 49.653 47.319 45.208 43.287 41.531 39.915 38.419 37.023 34.463 33.979 33.502 33.031 32.564 32.100 31.638 31.176 30.714 30.250 29.784 29.313 28.839 28.359 27.875 27.387 26.894 26.398 25.898 25.396 24.891 76.952 71.227 66.329 62.091 58.386 55.119 52.214 49.615 47.275 45.157 43.230 41.468 39.849 38.354 36.966 34.458 33.992 33.537 33.092 32.656 32.230 31.811 31.400 30.997 30.600 30.209 29.824 29.445 29.070 28.700 28.334 27.972 27.614 27.258 26.906 26.556 76.951 71.216 66.313 62.072 58.365 55.094 52.187 49.583 47.238 45.115 43.182 41.415 39.791 38.293 36.905 34.406 33.945 33.496 33.057 32.628 32.210 31.801 31.402 31.011 30.629 30.254 29.888 29.528 29.176 28.831 28.492 28.159 27.833 27.512 27.196 26.887 76.953 71.208 66.301 62.056 58.346 55.074 52.163 49.557 47.208 45.080 43.142 41.369 39.741 38.239 36.848 34.349 33.888 33.439 33.002 32.576 32.160 31.753 31.357 30.970 30.592 30.222 29.860 29.507 29.161 28.823 28.492 28.168 27.850 27.540 27.235 26.937 76.958 71.202 66.290 62.043 58.331 55.056 52.143 49.534 47.182 45.050 43.108 41.331 39.698 38.192 36.797 34.293 33.832 33.383 32.945 32.519 32.103 31.697 31.301 30.915 30.538 30.169 29.809 29.457 29.113 28.777 28.448 28.126 27.812 27.504 27.203 26.908 76.965 71.199 66.282 62.031 58.317 55.040 52.125 49.513 47.159 45.024 43.078 41.298 39.661 38.151 36.752 34.242 33.780 33.330 32.891 32.464 32.048 31.642 31.245 30.858 30.481 30.112 29.752 29.400 29.056 28.720 28.392 28.070 27.756 27.449 27.148 26.854 76.973 71.196 66.275 62.022 58.305 55.026 52.109 49.495 47.138 45.001 43.053 41.269 39.628 38.115 36.713 34.195 33.732 33.281 32.842 32.414 31.996 31.589 31.192 30.805 30.426 30.057 29.696 29.344 28.999 28.662 28.333 28.012 27.697 27.389 27.088 26.794 76.982 71.195 66.269 62.013 58.294 55.013 52.095 49.479 47.120 44.981 43.030 41.243 39.600 38.083 36.677 34.154 33.690 33.238 32.797 32.368 31.949 31.541 31.143 30.755 30.376 30.005 29.644 29.290 28.945 28.608 28.278 27.955 27.640 27.331 27.029 26.734 99999.999 71.194 66.264 62.006 58.285 55.002 52.082 49.465 47.104 44.962 43.010 41.220 39.574 38.055 36.646 34.117 33.652 33.198 32.757 32.327 31.907 31.498 31.099 30.709 30.329 29.958 29.595 29.241 28.895 28.557 28.226 27.902 27.586 27.277 26.974 26.678 DyCO3+ DyCO3+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 3 -1.000 1 1.000 5 1.000 60 2.234 2.332 2.442 2.555 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.234 2.332 2.442 2.555 2.665 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.234 2.332 2.442 2.555 2.665 2.766 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.233 2.332 2.442 2.555 2.664 2.766 2.853 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.233 2.332 2.441 2.554 2.664 2.765 2.853 2.923 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.233 2.331 2.441 2.554 2.664 2.765 2.854 2.924 2.971 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.232 2.330 2.440 2.553 2.663 2.765 2.854 2.925 2.973 2.990 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.231 2.328 2.438 2.552 2.663 2.765 2.854 2.926 2.975 2.994 2.970 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.229 2.326 2.436 2.550 2.662 2.765 2.855 2.928 2.979 3.000 2.980 2.899 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.227 2.323 2.433 2.548 2.660 2.764 2.856 2.931 2.984 3.008 2.993 2.920 2.758 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.223 2.319 2.429 2.545 2.658 2.764 2.857 2.934 2.990 3.018 3.009 2.947 2.803 2.517 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.219 2.313 2.424 2.541 2.655 2.762 2.858 2.937 2.997 3.030 3.028 2.978 2.856 2.614 2.069 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.215 2.309 2.420 2.537 2.653 2.761 2.858 2.940 3.002 3.039 3.043 3.001 2.894 2.681 2.223 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.209 2.302 2.414 2.532 2.649 2.759 2.859 2.943 3.009 3.050 3.062 3.032 2.944 2.767 2.396 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.203 2.295 2.408 2.527 2.645 2.757 2.859 2.946 3.015 3.061 3.079 3.060 2.990 2.843 2.538 1.129 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.197 2.288 2.401 2.521 2.641 2.755 2.859 2.948 3.021 3.071 3.096 3.086 3.032 2.911 2.660 2.166 1.625 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.191 2.281 2.394 2.515 2.637 2.752 2.858 2.950 3.026 3.081 3.111 3.110 3.069 2.972 2.766 2.440 2.193 1.789 1.087 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.184 2.273 2.387 2.509 2.632 2.749 2.857 2.952 3.030 3.089 3.125 3.132 3.104 3.026 2.860 2.605 2.442 2.215 1.881 1.378 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.176 2.265 2.380 2.503 2.627 2.746 2.856 2.953 3.035 3.097 3.138 3.153 3.136 3.076 2.942 2.727 2.604 2.446 2.235 1.946 1.548 1.012 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.169 2.257 2.372 2.497 2.622 2.743 2.855 2.954 3.038 3.105 3.150 3.172 3.164 3.120 3.015 2.825 2.727 2.605 2.452 2.255 1.999 1.667 1.244 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.161 2.249 2.365 2.490 2.617 2.739 2.853 2.955 3.042 3.112 3.162 3.189 3.191 3.160 3.079 2.908 2.827 2.729 2.609 2.461 2.276 2.046 1.760 1.411 0.998 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.153 2.241 2.357 2.484 2.612 2.735 2.851 2.955 3.045 3.118 3.172 3.205 3.215 3.195 3.134 2.980 2.912 2.831 2.733 2.615 2.472 2.299 2.090 1.839 1.543 1.201 0.819 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.145 2.232 2.349 2.477 2.606 2.731 2.849 2.955 3.047 3.124 3.182 3.220 3.237 3.227 3.183 3.044 2.986 2.917 2.836 2.739 2.623 2.487 2.325 2.134 1.911 1.654 1.365 1.047 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.136 2.223 2.341 2.470 2.600 2.727 2.846 2.955 3.050 3.129 3.191 3.234 3.257 3.256 3.226 3.101 3.052 2.993 2.924 2.842 2.747 2.635 2.504 2.352 2.177 1.977 1.753 1.504 1.235 0.949 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.127 2.214 2.333 2.462 2.594 2.723 2.844 2.954 3.052 3.134 3.199 3.247 3.275 3.282 3.263 3.153 3.111 3.061 3.001 2.932 2.851 2.757 2.649 2.524 2.382 2.221 2.041 1.843 1.626 1.395 1.152 99999.999 99999.999 99999.999 99999.999 99999.999 2.118 2.205 2.324 2.455 2.588 2.718 2.841 2.953 3.053 3.138 3.207 3.258 3.292 3.305 3.295 3.201 3.165 3.122 3.070 3.011 2.941 2.861 2.770 2.665 2.547 2.414 2.267 2.104 1.927 1.737 1.537 1.328 1.113 99999.999 99999.999 99999.999 2.109 2.195 2.315 2.447 2.582 2.714 2.838 2.952 3.054 3.142 3.214 3.269 3.307 3.326 3.324 3.246 3.215 3.177 3.133 3.081 3.021 2.952 2.874 2.785 2.685 2.573 2.449 2.313 2.165 2.007 1.839 1.664 1.483 1.299 99999.999 99999.999 2.099 2.186 2.307 2.440 2.576 2.709 2.835 2.951 3.055 3.146 3.221 3.279 3.321 3.345 3.350 3.287 3.260 3.228 3.190 3.145 3.093 3.033 2.966 2.889 2.803 2.707 2.601 2.486 2.361 2.227 2.084 1.935 1.781 1.624 1.464 1.305 2.089 2.176 2.298 2.432 2.569 2.704 2.831 2.950 3.056 3.149 3.227 3.289 3.335 3.363 3.373 3.325 3.303 3.276 3.242 3.204 3.158 3.106 3.047 2.981 2.906 2.823 2.732 2.632 2.525 2.410 2.288 2.159 2.027 1.890 1.752 1.613 1.979 2.069 2.200 2.346 2.496 2.645 2.788 2.924 3.050 3.165 3.267 3.358 3.435 3.499 3.551 3.610 3.614 3.616 3.615 3.611 3.604 3.594 3.581 3.565 3.545 3.523 3.497 3.468 3.436 3.401 3.364 3.324 3.281 3.237 3.190 3.142 1.851 1.949 2.091 2.250 2.412 2.574 2.731 2.882 3.024 3.157 3.280 3.392 3.493 3.583 3.663 3.788 3.808 3.826 3.841 3.855 3.867 3.877 3.884 3.890 3.893 3.895 3.894 3.891 3.886 3.880 3.871 3.860 3.848 3.834 3.818 3.800 1.709 1.818 1.973 2.144 2.319 2.494 2.664 2.828 2.985 3.133 3.273 3.403 3.523 3.633 3.734 3.908 3.939 3.967 3.994 4.020 4.044 4.066 4.087 4.106 4.124 4.139 4.153 4.166 4.177 4.186 4.194 4.200 4.204 4.207 4.209 4.209 1.555 1.678 1.847 2.031 2.219 2.406 2.588 2.765 2.935 3.097 3.251 3.396 3.532 3.660 3.779 3.991 4.029 4.066 4.102 4.136 4.169 4.201 4.231 4.260 4.287 4.313 4.337 4.361 4.382 4.403 4.421 4.439 4.455 4.470 4.483 4.495 1.393 1.531 1.714 1.911 2.112 2.311 2.506 2.694 2.876 3.051 3.217 3.376 3.526 3.669 3.803 4.047 4.092 4.135 4.178 4.219 4.259 4.298 4.336 4.372 4.407 4.440 4.473 4.504 4.534 4.562 4.589 4.615 4.640 4.663 4.685 4.706 1.222 1.378 1.576 1.787 2.001 2.212 2.418 2.618 2.811 2.997 3.175 3.346 3.508 3.663 3.811 4.082 4.133 4.182 4.231 4.278 4.324 4.368 4.412 4.454 4.495 4.535 4.574 4.611 4.648 4.683 4.716 4.749 4.780 4.810 4.839 4.867 1.046 1.220 1.433 1.658 1.885 2.108 2.325 2.536 2.740 2.936 3.125 3.307 3.481 3.647 3.806 4.102 4.157 4.212 4.265 4.317 4.368 4.418 4.467 4.514 4.560 4.605 4.649 4.692 4.734 4.774 4.813 4.851 4.888 4.923 4.958 4.991 99999.999 1.058 1.286 1.525 1.765 2.000 2.228 2.450 2.664 2.870 3.070 3.261 3.446 3.622 3.792 4.109 4.169 4.228 4.285 4.342 4.397 4.451 4.504 4.556 4.607 4.656 4.705 4.752 4.798 4.843 4.887 4.929 4.970 5.010 5.049 5.087 DyHCO3+2 DyHCO3+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 2 1.000 5 1.000 60 -1.672 -1.699 -1.850 -2.066 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.672 -1.699 -1.850 -2.066 -2.321 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.672 -1.699 -1.850 -2.066 -2.321 -2.606 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.672 -1.699 -1.850 -2.065 -2.321 -2.605 -2.913 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.671 -1.698 -1.850 -2.065 -2.320 -2.605 -2.913 -3.242 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.670 -1.698 -1.849 -2.064 -2.320 -2.604 -2.911 -3.241 -3.591 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.669 -1.697 -1.848 -2.063 -2.319 -2.602 -2.910 -3.238 -3.588 -3.964 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.668 -1.696 -1.847 -2.062 -2.317 -2.600 -2.907 -3.235 -3.584 -3.958 -4.366 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.665 -1.694 -1.846 -2.060 -2.315 -2.598 -2.904 -3.230 -3.578 -3.950 -4.354 -4.806 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.663 -1.692 -1.844 -2.058 -2.312 -2.594 -2.899 -3.224 -3.570 -3.939 -4.340 -4.784 -5.293 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.659 -1.690 -1.841 -2.055 -2.309 -2.590 -2.893 -3.217 -3.560 -3.926 -4.321 -4.757 -5.251 -5.834 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.655 -1.687 -1.838 -2.052 -2.305 -2.584 -2.886 -3.207 -3.548 -3.909 -4.298 -4.723 -5.200 -5.758 -6.465 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.652 -1.685 -1.836 -2.050 -2.301 -2.580 -2.881 -3.200 -3.539 -3.897 -4.281 -4.698 -5.163 -5.701 -6.394 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.648 -1.682 -1.834 -2.046 -2.297 -2.575 -2.874 -3.191 -3.526 -3.880 -4.257 -4.665 -5.113 -5.625 -6.277 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.645 -1.680 -1.831 -2.044 -2.293 -2.570 -2.867 -3.182 -3.514 -3.864 -4.235 -4.633 -5.066 -5.554 -6.163 -5.900 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.642 -1.678 -1.829 -2.041 -2.290 -2.565 -2.860 -3.173 -3.502 -3.849 -4.214 -4.604 -5.023 -5.488 -6.056 -6.350 -6.312 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.639 -1.676 -1.827 -2.039 -2.287 -2.560 -2.854 -3.165 -3.491 -3.834 -4.195 -4.576 -4.983 -5.428 -5.957 -6.415 -6.502 -6.552 -6.620 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.637 -1.674 -1.826 -2.036 -2.284 -2.556 -2.848 -3.157 -3.481 -3.820 -4.176 -4.550 -4.946 -5.373 -5.868 -6.412 -6.537 -6.645 -6.738 -6.844 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.635 -1.673 -1.824 -2.035 -2.281 -2.552 -2.843 -3.149 -3.471 -3.807 -4.158 -4.525 -4.911 -5.323 -5.788 -6.387 -6.527 -6.659 -6.781 -6.898 -7.027 -7.197 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.633 -1.672 -1.823 -2.033 -2.278 -2.549 -2.837 -3.142 -3.461 -3.794 -4.141 -4.503 -4.880 -5.277 -5.716 -6.355 -6.501 -6.643 -6.780 -6.912 -7.043 -7.185 -7.351 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.632 -1.672 -1.823 -2.032 -2.276 -2.545 -2.833 -3.135 -3.452 -3.782 -4.125 -4.481 -4.850 -5.236 -5.653 -6.321 -6.469 -6.615 -6.758 -6.899 -7.038 -7.178 -7.326 -7.490 -7.679 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.631 -1.672 -1.822 -2.031 -2.274 -2.542 -2.828 -3.129 -3.444 -3.771 -4.110 -4.461 -4.824 -5.199 -5.597 -6.285 -6.433 -6.581 -6.728 -6.873 -7.016 -7.159 -7.305 -7.456 -7.618 -7.794 -7.986 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.630 -1.672 -1.822 -2.030 -2.272 -2.539 -2.824 -3.123 -3.435 -3.760 -4.096 -4.442 -4.799 -5.165 -5.548 -6.249 -6.397 -6.545 -6.693 -6.840 -6.986 -7.131 -7.277 -7.425 -7.577 -7.735 -7.902 -8.077 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.630 -1.672 -1.822 -2.029 -2.271 -2.536 -2.820 -3.117 -3.427 -3.749 -4.082 -4.425 -4.776 -5.135 -5.506 -6.214 -6.362 -6.509 -6.656 -6.804 -6.951 -7.097 -7.244 -7.391 -7.540 -7.691 -7.846 -8.004 -8.167 -8.332 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.630 -1.672 -1.822 -2.029 -2.270 -2.534 -2.816 -3.112 -3.420 -3.739 -4.069 -4.408 -4.755 -5.108 -5.469 -6.180 -6.326 -6.473 -6.620 -6.766 -6.913 -7.060 -7.207 -7.354 -7.501 -7.649 -7.799 -7.950 -8.102 -8.254 -8.406 99999.999 99999.999 99999.999 99999.999 99999.999 -1.631 -1.673 -1.822 -2.028 -2.268 -2.532 -2.812 -3.106 -3.413 -3.730 -4.057 -4.392 -4.735 -5.083 -5.438 -6.147 -6.292 -6.437 -6.583 -6.729 -6.875 -7.022 -7.168 -7.315 -7.461 -7.608 -7.755 -7.902 -8.048 -8.195 -8.339 -8.481 -8.618 99999.999 99999.999 99999.999 -1.631 -1.674 -1.823 -2.028 -2.268 -2.530 -2.809 -3.101 -3.406 -3.721 -4.045 -4.378 -4.717 -5.061 -5.410 -6.116 -6.259 -6.403 -6.547 -6.692 -6.837 -6.983 -7.129 -7.275 -7.420 -7.566 -7.712 -7.856 -8.000 -8.143 -8.284 -8.421 -8.555 -8.683 99999.999 99999.999 -1.632 -1.675 -1.824 -2.028 -2.267 -2.528 -2.806 -3.097 -3.399 -3.712 -4.034 -4.363 -4.699 -5.040 -5.385 -6.085 -6.226 -6.369 -6.512 -6.655 -6.800 -6.944 -7.089 -7.234 -7.379 -7.524 -7.668 -7.812 -7.954 -8.095 -8.234 -8.370 -8.502 -8.629 -8.749 -8.863 -1.634 -1.677 -1.825 -2.029 -2.266 -2.526 -2.803 -3.092 -3.393 -3.704 -4.023 -4.350 -4.683 -5.020 -5.362 -6.055 -6.195 -6.336 -6.478 -6.620 -6.763 -6.906 -7.050 -7.194 -7.338 -7.481 -7.625 -7.767 -7.909 -8.049 -8.187 -8.322 -8.453 -8.580 -8.702 -8.817 -1.660 -1.702 -1.845 -2.041 -2.270 -2.521 -2.785 -3.061 -3.346 -3.637 -3.936 -4.240 -4.548 -4.859 -5.172 -5.805 -5.932 -6.060 -6.188 -6.317 -6.446 -6.575 -6.705 -6.836 -6.967 -7.098 -7.229 -7.361 -7.493 -7.624 -7.756 -7.887 -8.017 -8.146 -8.274 -8.401 -1.709 -1.744 -1.880 -2.069 -2.289 -2.530 -2.784 -3.048 -3.319 -3.596 -3.878 -4.163 -4.452 -4.742 -5.034 -5.620 -5.738 -5.856 -5.973 -6.092 -6.210 -6.328 -6.447 -6.566 -6.686 -6.805 -6.925 -7.046 -7.166 -7.287 -7.408 -7.529 -7.650 -7.771 -7.893 -8.014 -1.776 -1.801 -1.927 -2.107 -2.319 -2.551 -2.795 -3.049 -3.308 -3.572 -3.840 -4.110 -4.383 -4.657 -4.931 -5.480 -5.590 -5.700 -5.810 -5.920 -6.030 -6.140 -6.250 -6.360 -6.470 -6.581 -6.692 -6.803 -6.914 -7.025 -7.137 -7.249 -7.361 -7.473 -7.586 -7.699 -1.856 -1.868 -1.985 -2.156 -2.358 -2.581 -2.816 -3.060 -3.310 -3.563 -3.818 -4.076 -4.335 -4.594 -4.854 -5.372 -5.476 -5.579 -5.682 -5.785 -5.889 -5.992 -6.095 -6.198 -6.302 -6.405 -6.508 -6.612 -6.715 -6.819 -6.923 -7.028 -7.132 -7.236 -7.341 -7.446 -1.947 -1.945 -2.051 -2.212 -2.405 -2.619 -2.846 -3.081 -3.321 -3.564 -3.809 -4.055 -4.302 -4.549 -4.796 -5.288 -5.386 -5.484 -5.582 -5.680 -5.777 -5.875 -5.972 -6.069 -6.167 -6.264 -6.362 -6.459 -6.557 -6.654 -6.752 -6.850 -6.948 -7.046 -7.144 -7.243 -2.048 -2.030 -2.124 -2.274 -2.459 -2.664 -2.882 -3.108 -3.340 -3.574 -3.809 -4.046 -4.282 -4.518 -4.754 -5.223 -5.316 -5.410 -5.503 -5.596 -5.688 -5.781 -5.873 -5.966 -6.058 -6.151 -6.243 -6.335 -6.428 -6.520 -6.613 -6.705 -6.798 -6.891 -6.984 -7.077 -2.156 -2.121 -2.202 -2.343 -2.518 -2.714 -2.924 -3.142 -3.365 -3.591 -3.818 -4.045 -4.272 -4.499 -4.725 -5.173 -5.262 -5.351 -5.440 -5.529 -5.618 -5.706 -5.794 -5.883 -5.971 -6.059 -6.147 -6.235 -6.323 -6.411 -6.499 -6.587 -6.675 -6.764 -6.852 -6.941 99999.999 -2.217 -2.286 -2.416 -2.582 -2.769 -2.971 -3.181 -3.396 -3.614 -3.833 -4.052 -4.271 -4.489 -4.706 -5.136 -5.221 -5.307 -5.392 -5.477 -5.562 -5.647 -5.731 -5.816 -5.900 -5.984 -6.069 -6.153 -6.237 -6.322 -6.406 -6.490 -6.575 -6.659 -6.744 -6.829 DyOH+2 DyOH+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 3 -1.000 1 1.000 2 1.000 60 9.111 7.834 6.770 5.872 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.111 7.834 6.770 5.872 5.104 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.112 7.835 6.770 5.872 5.105 4.441 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.113 7.836 6.771 5.873 5.106 4.442 3.861 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.115 7.838 6.773 5.875 5.108 4.444 3.862 3.347 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.118 7.841 6.776 5.878 5.111 4.447 3.865 3.350 2.887 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.122 7.845 6.780 5.882 5.115 4.451 3.869 3.354 2.891 2.471 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.129 7.852 6.787 5.888 5.121 4.457 3.875 3.359 2.897 2.477 2.088 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.137 7.861 6.795 5.897 5.129 4.465 3.883 3.368 2.905 2.486 2.097 1.732 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.149 7.873 6.807 5.908 5.140 4.475 3.894 3.378 2.916 2.497 2.110 1.746 1.402 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.164 7.888 6.822 5.922 5.154 4.489 3.907 3.392 2.931 2.512 2.126 1.764 1.422 1.118 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.183 7.908 6.841 5.941 5.172 4.507 3.925 3.410 2.949 2.531 2.147 1.788 1.449 1.135 0.936 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.198 7.923 6.856 5.955 5.186 4.520 3.938 3.423 2.963 2.545 2.163 1.806 1.470 1.154 0.877 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.219 7.944 6.877 5.975 5.205 4.540 3.957 3.442 2.982 2.566 2.185 1.831 1.499 1.186 0.874 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.240 7.965 6.898 5.995 5.225 4.559 3.976 3.461 3.001 2.586 2.206 1.856 1.529 1.220 0.904 3.407 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.260 7.986 6.918 6.015 5.244 4.577 3.995 3.480 3.020 2.605 2.227 1.880 1.557 1.254 0.945 1.725 2.460 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.280 8.007 6.938 6.035 5.263 4.596 4.013 3.498 3.039 2.625 2.248 1.903 1.584 1.287 0.989 1.325 1.592 2.064 2.759 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.300 8.027 6.958 6.054 5.281 4.614 4.031 3.516 3.057 2.643 2.268 1.925 1.610 1.319 1.033 1.148 1.269 1.482 1.818 2.280 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.320 8.047 6.977 6.073 5.300 4.632 4.048 3.534 3.075 2.662 2.288 1.947 1.635 1.350 1.075 1.052 1.106 1.211 1.384 1.638 1.971 2.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.339 8.067 6.997 6.091 5.318 4.649 4.066 3.551 3.092 2.680 2.307 1.967 1.659 1.378 1.114 0.994 1.011 1.061 1.153 1.295 1.494 1.745 2.032 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.358 8.086 7.016 6.110 5.336 4.667 4.083 3.568 3.110 2.698 2.325 1.987 1.681 1.404 1.149 0.958 0.952 0.969 1.015 1.094 1.213 1.372 1.569 1.792 2.028 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.376 8.106 7.035 6.128 5.353 4.684 4.100 3.585 3.127 2.715 2.343 2.007 1.703 1.429 1.180 0.936 0.914 0.910 0.927 0.967 1.036 1.135 1.265 1.423 1.602 1.793 1.988 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.395 8.125 7.053 6.146 5.371 4.701 4.117 3.602 3.143 2.732 2.361 2.026 1.723 1.451 1.208 0.923 0.890 0.871 0.868 0.883 0.919 0.978 1.062 1.169 1.298 1.445 1.603 1.768 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.413 8.144 7.072 6.164 5.388 4.718 4.133 3.618 3.160 2.749 2.379 2.044 1.742 1.472 1.232 0.916 0.876 0.846 0.829 0.826 0.840 0.871 0.921 0.992 1.082 1.189 1.311 1.445 1.585 1.731 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.431 8.162 7.090 6.182 5.405 4.735 4.150 3.634 3.176 2.766 2.396 2.061 1.760 1.491 1.254 0.914 0.867 0.830 0.802 0.787 0.784 0.796 0.823 0.866 0.926 1.001 1.092 1.195 1.308 1.430 1.558 99999.999 99999.999 99999.999 99999.999 99999.999 9.449 8.181 7.108 6.199 5.422 4.751 4.166 3.651 3.192 2.782 2.412 2.078 1.778 1.509 1.272 0.915 0.864 0.820 0.785 0.760 0.745 0.742 0.752 0.775 0.811 0.862 0.927 1.003 1.091 1.189 1.295 1.408 1.527 99999.999 99999.999 99999.999 9.467 8.199 7.126 6.216 5.439 4.767 4.182 3.666 3.208 2.798 2.429 2.095 1.795 1.526 1.289 0.919 0.863 0.815 0.774 0.741 0.717 0.703 0.700 0.708 0.727 0.758 0.802 0.857 0.922 0.998 1.083 1.176 1.277 1.384 99999.999 99999.999 9.484 8.217 7.144 6.234 5.455 4.783 4.198 3.682 3.224 2.814 2.445 2.111 1.811 1.542 1.304 0.925 0.866 0.814 0.768 0.729 0.698 0.676 0.662 0.658 0.664 0.680 0.707 0.744 0.791 0.848 0.913 0.988 1.070 1.159 1.255 1.358 9.501 8.235 7.161 6.250 5.472 4.799 4.213 3.697 3.239 2.830 2.460 2.127 1.827 1.557 1.318 0.932 0.871 0.815 0.766 0.722 0.686 0.657 0.635 0.622 0.617 0.621 0.634 0.656 0.688 0.728 0.778 0.835 0.900 0.973 1.053 1.139 9.663 8.404 7.327 6.411 5.627 4.950 4.360 3.843 3.384 2.975 2.608 2.276 1.976 1.705 1.460 1.043 0.970 0.901 0.835 0.772 0.713 0.657 0.604 0.554 0.508 0.465 0.425 0.388 0.355 0.325 0.298 0.275 0.255 0.239 0.226 0.217 9.809 8.558 7.480 6.559 5.769 5.087 4.494 3.974 3.515 3.106 2.739 2.409 2.110 1.840 1.594 1.170 1.094 1.022 0.952 0.885 0.821 0.759 0.699 0.642 0.587 0.534 0.483 0.434 0.387 0.342 0.299 0.257 0.218 0.180 0.144 0.109 9.944 8.702 7.621 6.696 5.902 5.215 4.619 4.096 3.634 3.225 2.858 2.529 2.232 1.962 1.717 1.292 1.216 1.143 1.072 1.004 0.938 0.874 0.813 0.753 0.696 0.640 0.586 0.534 0.483 0.434 0.387 0.340 0.295 0.251 0.209 0.167 10.068 8.836 7.755 6.825 6.026 5.336 4.735 4.209 3.746 3.335 2.968 2.639 2.342 2.074 1.830 1.406 1.330 1.257 1.186 1.117 1.051 0.987 0.926 0.866 0.808 0.751 0.697 0.644 0.592 0.542 0.493 0.445 0.399 0.353 0.309 0.266 10.185 8.964 7.881 6.948 6.144 5.450 4.845 4.316 3.850 3.438 3.070 2.741 2.445 2.177 1.934 1.512 1.436 1.363 1.292 1.224 1.158 1.094 1.033 0.973 0.915 0.859 0.804 0.751 0.699 0.649 0.600 0.552 0.506 0.460 0.416 0.372 10.296 9.085 8.002 7.065 6.257 5.558 4.950 4.418 3.950 3.535 3.166 2.837 2.540 2.273 2.031 1.610 1.534 1.462 1.391 1.324 1.258 1.195 1.133 1.074 1.016 0.960 0.906 0.853 0.802 0.752 0.703 0.656 0.609 0.564 0.520 0.476 10.402 9.202 8.118 7.178 6.366 5.663 5.051 4.516 4.044 3.628 3.258 2.927 2.630 2.363 2.121 1.702 1.627 1.554 1.484 1.417 1.351 1.288 1.227 1.168 1.110 1.055 1.001 0.948 0.898 0.848 0.800 0.753 0.707 0.662 0.618 0.575 99999.999 9.315 8.230 7.286 6.471 5.764 5.148 4.609 4.136 3.717 3.345 3.013 2.716 2.448 2.206 1.788 1.713 1.641 1.571 1.504 1.439 1.376 1.315 1.256 1.199 1.144 1.090 1.038 0.987 0.938 0.890 0.844 0.798 0.754 0.711 0.668 DyO+ DyO+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 3 -2.000 1 1.000 2 1.000 60 18.502 16.117 14.176 12.568 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.502 16.117 14.176 12.568 11.215 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.503 16.118 14.177 12.568 11.216 10.063 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.504 16.119 14.178 12.569 11.217 10.064 9.068 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.506 16.121 14.180 12.571 11.219 10.066 9.070 8.199 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.510 16.124 14.183 12.575 11.222 10.069 9.073 8.203 7.433 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.515 16.129 14.188 12.579 11.227 10.074 9.078 8.208 7.438 6.746 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.522 16.137 14.195 12.586 11.233 10.080 9.085 8.215 7.446 6.755 6.122 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.531 16.146 14.205 12.596 11.243 10.090 9.095 8.225 7.456 6.766 6.135 5.545 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.544 16.159 14.217 12.608 11.255 10.102 9.107 8.238 7.470 6.781 6.152 5.566 5.012 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.561 16.176 14.234 12.624 11.271 10.118 9.124 8.255 7.488 6.801 6.175 5.592 5.043 4.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.582 16.198 14.255 12.645 11.291 10.139 9.144 8.277 7.511 6.826 6.203 5.626 5.084 4.576 4.220 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.599 16.215 14.271 12.661 11.307 10.154 9.160 8.293 7.528 6.845 6.225 5.652 5.115 4.608 4.145 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.622 16.238 14.295 12.684 11.329 10.177 9.183 8.317 7.553 6.871 6.255 5.689 5.160 4.660 4.154 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.645 16.261 14.317 12.706 11.351 10.198 9.205 8.340 7.577 6.897 6.284 5.724 5.204 4.713 4.207 7.727 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.667 16.284 14.340 12.728 11.373 10.220 9.227 8.362 7.601 6.923 6.313 5.757 5.246 4.767 4.275 5.360 6.387 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.689 16.307 14.362 12.750 11.395 10.241 9.249 8.384 7.624 6.948 6.341 5.790 5.286 4.818 4.346 4.797 5.166 5.820 6.771 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.711 16.329 14.384 12.771 11.416 10.262 9.270 8.406 7.647 6.972 6.368 5.821 5.324 4.867 4.417 4.551 4.713 5.005 5.468 6.098 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.733 16.351 14.406 12.792 11.436 10.283 9.291 8.428 7.669 6.996 6.394 5.851 5.360 4.913 4.483 4.418 4.486 4.627 4.863 5.211 5.662 6.169 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.754 16.373 14.427 12.813 11.457 10.303 9.311 8.449 7.691 7.019 6.419 5.880 5.395 4.956 4.544 4.340 4.356 4.420 4.542 4.735 5.005 5.345 5.727 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.775 16.395 14.448 12.834 11.477 10.323 9.331 8.469 7.712 7.042 6.444 5.908 5.427 4.996 4.599 4.293 4.277 4.295 4.352 4.458 4.617 4.833 5.097 5.396 5.704 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.796 16.416 14.469 12.854 11.497 10.343 9.351 8.490 7.734 7.064 6.468 5.934 5.457 5.032 4.648 4.265 4.228 4.216 4.233 4.284 4.375 4.507 4.682 4.895 5.133 5.386 5.638 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.816 16.437 14.490 12.874 11.517 10.363 9.371 8.510 7.754 7.086 6.491 5.960 5.486 5.065 4.690 4.250 4.197 4.165 4.155 4.171 4.216 4.294 4.405 4.549 4.723 4.918 5.128 5.344 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.836 16.457 14.510 12.894 11.536 10.382 9.391 8.530 7.775 7.108 6.514 5.985 5.513 5.096 4.727 4.243 4.180 4.132 4.103 4.095 4.109 4.149 4.215 4.309 4.429 4.573 4.737 4.914 5.100 5.291 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.856 16.478 14.530 12.914 11.556 10.401 9.410 8.549 7.795 7.129 6.537 6.009 5.539 5.123 4.759 4.243 4.171 4.113 4.070 4.043 4.036 4.048 4.082 4.139 4.219 4.320 4.442 4.580 4.732 4.895 5.065 99999.999 99999.999 99999.999 99999.999 99999.999 18.876 16.498 14.550 12.933 11.575 10.420 9.429 8.568 7.815 7.150 6.558 6.032 5.563 5.149 4.787 4.247 4.169 4.102 4.049 4.009 3.985 3.977 3.988 4.017 4.066 4.134 4.220 4.324 4.443 4.575 4.718 4.870 5.031 99999.999 99999.999 99999.999 18.895 16.518 14.570 12.953 11.594 10.439 9.447 8.587 7.835 7.170 6.580 6.054 5.586 5.173 4.812 4.255 4.171 4.099 4.037 3.987 3.951 3.928 3.920 3.929 3.953 3.995 4.053 4.128 4.217 4.321 4.437 4.564 4.701 4.847 99999.999 99999.999 18.914 16.538 14.589 12.972 11.612 10.457 9.466 8.606 7.854 7.190 6.601 6.076 5.609 5.196 4.834 4.265 4.178 4.100 4.032 3.974 3.928 3.894 3.872 3.864 3.871 3.892 3.927 3.978 4.042 4.120 4.211 4.313 4.427 4.550 4.683 4.826 18.933 16.558 14.609 12.991 11.631 10.476 9.484 8.625 7.873 7.210 6.621 6.097 5.631 5.217 4.855 4.278 4.187 4.105 4.031 3.968 3.914 3.871 3.839 3.818 3.810 3.814 3.832 3.862 3.906 3.962 4.031 4.111 4.202 4.304 4.415 4.537 19.111 16.743 14.792 13.169 11.805 10.648 9.655 8.798 8.050 7.392 6.811 6.294 5.834 5.423 5.058 4.448 4.344 4.245 4.152 4.063 3.980 3.902 3.829 3.761 3.697 3.639 3.586 3.537 3.493 3.455 3.421 3.393 3.369 3.351 3.338 3.330 19.271 16.912 14.959 13.333 11.965 10.804 9.811 8.953 8.207 7.554 6.978 6.467 6.012 5.607 5.245 4.634 4.528 4.427 4.330 4.237 4.149 4.064 3.984 3.907 3.834 3.764 3.697 3.634 3.573 3.516 3.461 3.409 3.360 3.314 3.270 3.228 19.417 17.069 15.115 13.485 12.113 10.950 9.954 9.096 8.351 7.699 7.127 6.621 6.171 5.771 5.414 4.809 4.704 4.602 4.506 4.413 4.324 4.239 4.158 4.080 4.005 3.932 3.863 3.797 3.733 3.671 3.612 3.555 3.500 3.446 3.395 3.345 19.553 17.215 15.261 13.628 12.252 11.085 10.087 9.228 8.483 7.833 7.263 6.760 6.315 5.919 5.566 4.969 4.865 4.765 4.670 4.578 4.490 4.406 4.325 4.248 4.173 4.102 4.033 3.966 3.902 3.841 3.781 3.723 3.668 3.614 3.561 3.510 19.680 17.354 15.399 13.762 12.384 11.214 10.213 9.352 8.606 7.957 7.388 6.888 6.446 6.054 5.705 5.116 5.013 4.915 4.820 4.730 4.644 4.561 4.481 4.405 4.332 4.261 4.194 4.128 4.065 4.005 3.946 3.889 3.835 3.781 3.730 3.680 19.800 17.485 15.530 13.891 12.509 11.336 10.332 9.469 8.722 8.073 7.505 7.006 6.567 6.178 5.832 5.250 5.149 5.052 4.959 4.870 4.785 4.703 4.625 4.550 4.478 4.409 4.343 4.279 4.217 4.158 4.101 4.046 3.992 3.940 3.890 3.842 19.914 17.612 15.657 14.014 12.629 11.452 10.446 9.581 8.833 8.182 7.615 7.117 6.679 6.293 5.950 5.374 5.274 5.178 5.086 4.999 4.915 4.835 4.758 4.684 4.614 4.546 4.481 4.418 4.358 4.300 4.244 4.190 4.138 4.088 4.039 3.992 99999.999 17.734 15.778 14.133 12.744 11.564 10.556 9.688 8.938 8.287 7.719 7.222 6.785 6.400 6.059 5.489 5.390 5.295 5.205 5.118 5.036 4.956 4.881 4.808 4.739 4.672 4.608 4.547 4.488 4.431 4.377 4.324 4.273 4.224 4.177 4.131 DyO2H,aq DyO2H(AQ) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 3.000 Ref: Shock07 3 -3.000 1 2.000 2 1.000 60 28.431 24.831 21.957 19.618 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.431 24.831 21.957 19.618 17.687 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.431 24.832 21.958 19.619 17.687 16.072 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.432 24.833 21.959 19.620 17.689 16.073 14.707 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.434 24.835 21.961 19.622 17.691 16.075 14.709 13.540 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.437 24.838 21.964 19.625 17.694 16.079 14.712 13.543 12.532 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.442 24.842 21.969 19.630 17.698 16.083 14.717 13.548 12.537 11.650 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.448 24.849 21.975 19.636 17.705 16.090 14.724 13.556 12.545 11.659 10.866 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.456 24.858 21.984 19.645 17.714 16.099 14.733 13.566 12.556 11.671 10.880 10.156 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.468 24.870 21.996 19.657 17.726 16.111 14.746 13.579 12.570 11.687 10.899 10.179 9.511 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.482 24.886 22.012 19.673 17.741 16.127 14.762 13.596 12.589 11.708 10.923 10.210 9.547 8.949 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.501 24.905 22.032 19.692 17.761 16.147 14.783 13.618 12.612 11.734 10.954 10.248 9.595 8.989 8.542 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.515 24.920 22.047 19.707 17.776 16.162 14.798 13.634 12.630 11.754 10.977 10.277 9.632 9.029 8.468 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.535 24.942 22.068 19.729 17.797 16.183 14.821 13.658 12.655 11.782 11.010 10.317 9.683 9.091 8.490 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.554 24.963 22.089 19.750 17.818 16.204 14.842 13.680 12.680 11.808 11.041 10.356 9.733 9.155 8.559 12.489 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.573 24.983 22.110 19.770 17.838 16.225 14.863 13.703 12.703 11.835 11.071 10.393 9.781 9.218 8.644 9.895 11.027 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.592 25.003 22.130 19.790 17.858 16.245 14.884 13.724 12.727 11.860 11.101 10.428 9.826 9.279 8.731 9.275 9.688 10.411 11.444 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.610 25.023 22.150 19.810 17.878 16.265 14.905 13.746 12.749 11.885 11.129 10.462 9.869 9.336 8.816 9.005 9.190 9.520 10.034 10.723 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.628 25.043 22.170 19.829 17.897 16.285 14.924 13.766 12.771 11.909 11.156 10.494 9.910 9.389 8.895 8.860 8.943 9.106 9.374 9.763 10.260 10.807 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.646 25.062 22.189 19.848 17.916 16.304 14.944 13.787 12.793 11.933 11.182 10.525 9.947 9.438 8.967 8.775 8.801 8.880 9.024 9.246 9.550 9.928 10.346 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.663 25.080 22.208 19.867 17.935 16.322 14.963 13.807 12.814 11.956 11.208 10.554 9.983 9.482 9.032 8.725 8.715 8.744 8.817 8.944 9.129 9.375 9.673 10.004 10.341 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.680 25.099 22.226 19.886 17.953 16.341 14.982 13.826 12.835 11.978 11.233 10.582 10.016 9.523 9.088 8.695 8.662 8.658 8.687 8.755 8.866 9.024 9.227 9.469 9.738 10.018 10.296 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.696 25.117 22.245 19.904 17.971 16.359 15.001 13.846 12.855 12.000 11.256 10.609 10.046 9.560 9.138 8.679 8.630 8.603 8.603 8.632 8.695 8.793 8.928 9.098 9.300 9.524 9.762 10.005 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.712 25.135 22.263 19.922 17.989 16.377 15.019 13.864 12.875 12.021 11.280 10.635 10.075 9.593 9.180 8.672 8.611 8.569 8.548 8.551 8.579 8.636 8.723 8.840 8.986 9.157 9.348 9.554 9.769 9.988 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.728 25.152 22.280 19.939 18.007 16.394 15.037 13.883 12.895 12.042 11.302 10.659 10.102 9.623 9.216 8.672 8.602 8.548 8.512 8.496 8.500 8.528 8.580 8.657 8.759 8.886 9.034 9.201 9.381 9.573 9.773 99999.999 99999.999 99999.999 99999.999 99999.999 28.744 25.169 22.298 19.956 18.024 16.412 15.054 13.901 12.914 12.062 11.324 10.683 10.128 9.651 9.246 8.677 8.600 8.537 8.490 8.459 8.446 8.452 8.478 8.526 8.595 8.686 8.797 8.928 9.075 9.236 9.409 9.593 9.786 99999.999 99999.999 99999.999 28.759 25.186 22.315 19.973 18.041 16.428 15.071 13.919 12.932 12.082 11.345 10.706 10.152 9.676 9.273 8.685 8.603 8.533 8.477 8.436 8.409 8.399 8.406 8.431 8.475 8.538 8.619 8.718 8.835 8.966 9.112 9.269 9.439 9.619 99999.999 99999.999 28.774 25.203 22.332 19.990 18.057 16.445 15.088 13.936 12.951 12.101 11.366 10.728 10.175 9.699 9.296 8.696 8.610 8.535 8.472 8.422 8.385 8.363 8.355 8.363 8.387 8.427 8.484 8.558 8.648 8.753 8.872 9.004 9.149 9.306 9.474 9.653 28.788 25.219 22.348 20.007 18.074 16.462 15.105 13.954 12.969 12.121 11.386 10.749 10.197 9.722 9.318 8.709 8.619 8.540 8.472 8.415 8.371 8.338 8.319 8.313 8.322 8.345 8.382 8.435 8.502 8.584 8.680 8.789 8.910 9.044 9.190 9.347 28.920 25.369 22.502 20.159 18.225 16.613 15.258 14.111 13.133 12.293 11.570 10.943 10.400 9.931 9.527 8.889 8.786 8.690 8.601 8.519 8.443 8.375 8.312 8.256 8.206 8.162 8.125 8.093 8.067 8.048 8.035 8.027 8.026 8.031 8.042 8.060 29.031 25.500 22.636 20.294 18.359 16.746 15.392 14.247 13.273 12.440 11.724 11.107 10.573 10.112 9.714 9.080 8.975 8.877 8.786 8.700 8.620 8.546 8.476 8.412 8.352 8.297 8.246 8.200 8.157 8.118 8.083 8.051 8.023 7.998 7.976 7.957 29.124 25.615 22.756 20.414 18.478 16.864 15.510 14.367 13.396 12.568 11.858 11.248 10.722 10.268 9.877 9.254 9.151 9.054 8.964 8.879 8.799 8.725 8.656 8.591 8.530 8.474 8.421 8.372 8.326 8.284 8.244 8.208 8.174 8.143 8.114 8.087 29.205 25.717 22.864 20.523 18.586 16.972 15.617 14.475 13.506 12.681 11.976 11.371 10.852 10.405 10.021 9.409 9.309 9.214 9.126 9.043 8.965 8.892 8.824 8.761 8.702 8.647 8.595 8.547 8.502 8.460 8.421 8.385 8.351 8.320 8.290 8.263 29.275 25.810 22.963 20.622 18.685 17.070 15.715 14.573 13.605 12.783 12.081 11.481 10.967 10.526 10.148 9.548 9.449 9.357 9.271 9.190 9.114 9.044 8.978 8.917 8.859 8.806 8.756 8.710 8.667 8.627 8.590 8.556 8.524 8.494 8.466 8.441 29.337 25.896 23.054 20.714 18.777 17.161 15.806 14.663 13.696 12.875 12.176 11.580 11.070 10.634 10.261 9.672 9.576 9.485 9.401 9.322 9.249 9.181 9.117 9.057 9.002 8.951 8.903 8.859 8.818 8.780 8.745 8.713 8.683 8.655 8.630 8.607 29.392 25.975 23.139 20.800 18.862 17.246 15.890 14.747 13.781 12.961 12.263 11.669 11.163 10.731 10.363 9.783 9.689 9.601 9.518 9.442 9.370 9.304 9.242 9.184 9.131 9.082 9.036 8.994 8.955 8.919 8.886 8.856 8.828 8.803 8.779 8.758 99999.999 26.049 23.218 20.881 18.943 17.325 15.969 14.826 13.859 13.040 12.344 11.752 11.248 10.820 10.455 9.884 9.791 9.705 9.624 9.549 9.480 9.415 9.355 9.299 9.248 9.200 9.156 9.116 9.079 9.045 9.014 8.985 8.959 8.935 8.914 8.895 DyO2- DyO2- P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 4.000 Ref: Shock07 3 -4.000 1 2.000 2 1.000 60 37.642 33.480 30.103 27.314 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.642 33.480 30.103 27.314 24.981 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.643 33.481 30.103 27.314 24.981 23.008 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.644 33.482 30.104 27.315 24.982 23.009 21.325 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.645 33.484 30.106 27.317 24.984 23.011 21.326 19.877 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.648 33.486 30.109 27.320 24.987 23.013 21.329 19.879 18.623 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.652 33.491 30.113 27.324 24.990 23.017 21.333 19.883 18.627 17.532 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.657 33.496 30.118 27.329 24.996 23.023 21.338 19.888 18.632 17.537 16.578 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.664 33.504 30.126 27.337 25.003 23.030 21.345 19.895 18.639 17.545 16.585 15.743 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.674 33.515 30.137 27.347 25.013 23.040 21.355 19.905 18.649 17.554 16.595 15.753 15.032 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.687 33.529 30.151 27.361 25.026 23.052 21.367 19.917 18.661 17.567 16.608 15.766 15.039 14.487 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.703 33.546 30.168 27.377 25.043 23.068 21.383 19.933 18.677 17.583 16.624 15.783 15.052 14.460 14.270 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.716 33.560 30.181 27.390 25.055 23.081 21.395 19.945 18.689 17.595 16.637 15.796 15.064 14.455 14.067 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.733 33.579 30.200 27.409 25.073 23.098 21.412 19.962 18.706 17.612 16.655 15.816 15.084 14.463 13.965 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.750 33.597 30.219 27.427 25.090 23.115 21.429 19.978 18.722 17.629 16.672 15.835 15.105 14.479 13.941 19.344 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.767 33.615 30.237 27.444 25.108 23.131 21.445 19.995 18.739 17.645 16.690 15.854 15.126 14.500 13.950 15.673 17.324 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.783 33.633 30.254 27.462 25.124 23.148 21.461 20.011 18.755 17.661 16.707 15.872 15.147 14.523 13.973 14.751 15.385 16.475 18.089 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.799 33.650 30.272 27.479 25.141 23.164 21.477 20.026 18.770 17.677 16.723 15.890 15.167 14.546 14.002 14.312 14.624 15.146 15.947 17.047 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.814 33.668 30.289 27.495 25.157 23.180 21.492 20.041 18.785 17.693 16.739 15.907 15.186 14.568 14.032 14.050 14.213 14.496 14.934 15.560 16.373 17.319 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.830 33.684 30.306 27.512 25.173 23.195 21.508 20.056 18.800 17.708 16.754 15.924 15.204 14.589 14.061 13.875 13.955 14.113 14.368 14.742 15.249 15.883 16.614 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.844 33.701 30.322 27.528 25.188 23.210 21.522 20.071 18.815 17.722 16.770 15.939 15.221 14.608 14.086 13.752 13.778 13.861 14.011 14.242 14.565 14.986 15.499 16.083 16.708 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.859 33.717 30.338 27.544 25.204 23.225 21.537 20.086 18.830 17.737 16.784 15.955 15.237 14.625 14.109 13.660 13.650 13.683 13.766 13.908 14.117 14.399 14.755 15.181 15.663 16.180 16.711 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.873 33.733 30.354 27.559 25.219 23.240 21.551 20.100 18.844 17.751 16.799 15.969 15.252 14.640 14.127 13.590 13.554 13.552 13.590 13.672 13.805 13.994 14.242 14.549 14.910 15.315 15.752 16.206 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.887 33.749 30.370 27.574 25.234 23.254 21.566 20.114 18.858 17.765 16.812 15.983 15.265 14.653 14.141 13.536 13.480 13.453 13.457 13.498 13.579 13.703 13.874 14.094 14.361 14.672 15.019 15.394 15.788 16.192 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.901 33.764 30.386 27.590 25.248 23.268 21.579 20.128 18.871 17.779 16.826 15.996 15.278 14.665 14.151 13.494 13.422 13.375 13.355 13.365 13.408 13.486 13.602 13.757 13.953 14.188 14.459 14.761 15.087 15.432 15.790 99999.999 99999.999 99999.999 99999.999 99999.999 37.915 33.779 30.401 27.604 25.263 23.282 21.593 20.141 18.885 17.792 16.839 16.009 15.290 14.675 14.159 13.460 13.376 13.314 13.275 13.261 13.275 13.319 13.393 13.501 13.643 13.819 14.028 14.267 14.532 14.820 15.125 15.444 15.773 99999.999 99999.999 99999.999 37.928 33.794 30.416 27.619 25.277 23.296 21.606 20.154 18.898 17.805 16.852 16.022 15.301 14.684 14.164 13.434 13.340 13.265 13.211 13.179 13.171 13.187 13.231 13.302 13.403 13.533 13.692 13.878 14.091 14.327 14.582 14.854 15.140 15.437 99999.999 99999.999 37.941 33.809 30.431 27.633 25.291 23.310 21.620 20.167 18.911 17.818 16.865 16.034 15.312 14.692 14.168 13.413 13.310 13.226 13.159 13.113 13.087 13.083 13.102 13.145 13.213 13.306 13.425 13.569 13.738 13.928 14.139 14.368 14.612 14.870 15.139 15.418 37.953 33.823 30.445 27.648 25.305 23.323 21.633 20.180 18.924 17.831 16.877 16.046 15.323 14.700 14.172 13.396 13.287 13.194 13.118 13.059 13.019 12.998 12.997 13.018 13.060 13.124 13.211 13.321 13.452 13.605 13.777 13.967 14.173 14.393 14.627 14.871 38.068 33.956 30.579 27.779 25.432 23.446 21.753 20.298 19.041 17.947 16.993 16.158 15.427 14.790 14.236 13.355 13.212 13.079 12.957 12.845 12.742 12.650 12.567 12.493 12.429 12.375 12.330 12.294 12.267 12.249 12.241 12.241 12.250 12.268 12.293 12.327 38.165 34.071 30.697 27.894 25.544 23.555 21.858 20.401 19.142 18.048 17.094 16.258 15.525 14.882 14.319 13.400 13.246 13.101 12.965 12.837 12.717 12.604 12.500 12.402 12.311 12.227 12.150 12.078 12.013 11.954 11.900 11.852 11.809 11.772 11.739 11.711 38.247 34.173 30.802 27.998 25.644 23.652 21.952 20.493 19.232 18.138 17.183 16.347 15.613 14.968 14.401 13.467 13.308 13.158 13.016 12.881 12.754 12.634 12.521 12.414 12.313 12.218 12.129 12.045 11.966 11.892 11.822 11.758 11.697 11.640 11.587 11.538 38.318 34.264 30.897 28.092 25.736 23.740 22.037 20.575 19.313 18.217 17.262 16.426 15.692 15.046 14.478 13.537 13.376 13.224 13.079 12.941 12.811 12.687 12.570 12.459 12.354 12.254 12.159 12.070 11.985 11.905 11.829 11.757 11.689 11.625 11.564 11.506 38.381 34.347 30.984 28.178 25.820 23.821 22.116 20.651 19.387 18.290 17.334 16.498 15.764 15.118 14.549 13.606 13.444 13.290 13.144 13.005 12.873 12.748 12.628 12.515 12.408 12.306 12.209 12.117 12.029 11.946 11.867 11.792 11.721 11.653 11.589 11.528 38.436 34.423 31.065 28.259 25.898 23.896 22.188 20.722 19.455 18.357 17.400 16.563 15.829 15.184 14.615 13.670 13.508 13.354 13.207 13.067 12.935 12.808 12.688 12.574 12.466 12.362 12.264 12.171 12.082 11.998 11.917 11.841 11.768 11.699 11.633 11.570 38.485 34.494 31.140 28.334 25.971 23.967 22.257 20.787 19.519 18.419 17.461 16.624 15.889 15.244 14.675 13.731 13.568 13.414 13.267 13.127 12.994 12.867 12.747 12.632 12.523 12.419 12.321 12.227 12.137 12.052 11.971 11.894 11.821 11.751 11.684 11.621 99999.999 34.561 31.212 28.405 26.040 24.034 22.321 20.850 19.579 18.478 17.518 16.680 15.945 15.300 14.731 13.787 13.625 13.470 13.323 13.183 13.050 12.923 12.803 12.688 12.578 12.474 12.375 12.281 12.191 12.106 12.025 11.947 11.874 11.804 11.737 11.673 DyNO3+2 DyNO3+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 6 -1.000 1 -1.000 2 -1.000 6 1.000 60 1.000 32 1.000 4 93.281 85.316 78.424 72.421 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.281 85.316 78.424 72.421 67.142 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.282 85.317 78.425 72.422 67.143 62.458 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.284 85.319 78.427 72.423 67.144 62.460 58.265 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.287 85.322 78.430 72.426 67.147 62.462 58.268 54.480 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.293 85.327 78.434 72.430 67.151 62.467 58.272 54.484 51.035 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.301 85.334 78.440 72.436 67.157 62.473 58.278 54.491 51.042 47.873 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.312 85.344 78.450 72.445 67.166 62.481 58.287 54.501 51.053 47.885 44.944 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.328 85.357 78.462 72.457 67.178 62.493 58.300 54.514 51.067 47.901 44.964 42.202 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.348 85.376 78.479 72.473 67.194 62.509 58.316 54.531 51.086 47.923 44.989 42.235 39.603 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.375 85.399 78.501 72.494 67.214 62.530 58.337 54.553 51.110 47.950 45.022 42.276 39.661 37.103 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.409 85.430 78.529 72.521 67.240 62.556 58.364 54.582 51.141 47.985 45.063 42.328 39.732 37.209 34.608 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.436 85.453 78.551 72.542 67.260 62.576 58.385 54.604 51.164 48.011 45.094 42.367 39.784 37.286 34.739 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.473 85.486 78.581 72.571 67.289 62.605 58.414 54.634 51.197 48.048 45.137 42.420 39.855 37.388 34.907 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.509 85.518 78.612 72.599 67.317 62.633 58.443 54.664 51.230 48.083 45.178 42.471 39.922 37.482 35.057 30.883 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.545 85.550 78.641 72.628 67.345 62.660 58.471 54.694 51.261 48.118 45.218 42.520 39.984 37.569 35.192 31.220 30.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.581 85.581 78.670 72.656 67.372 62.688 58.499 54.723 51.292 48.152 45.257 42.566 40.044 37.649 35.314 31.357 30.527 29.652 28.641 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.616 85.612 78.699 72.683 67.399 62.714 58.526 54.751 51.322 48.185 45.295 42.611 40.099 37.724 35.425 31.468 30.665 29.853 29.011 28.095 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.650 85.643 78.727 72.710 67.425 62.741 58.553 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2. 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-13.970 -14.143 -14.317 -14.493 -14.670 -14.848 -15.027 -15.207 -15.389 -15.571 -8.765 -8.312 -8.150 -8.143 -8.236 -8.395 -8.604 -8.848 -9.120 -9.414 -9.725 -10.050 -10.388 -10.737 -11.093 -11.827 -11.977 -12.127 -12.278 -12.430 -12.583 -12.737 -12.891 -13.047 -13.203 -13.361 -13.519 -13.678 -13.838 -13.999 -14.161 -14.324 -14.488 -14.652 -14.818 -14.985 -8.673 -8.202 -8.033 -8.022 -8.111 -8.267 -8.470 -8.709 -8.973 -9.256 -9.556 -9.868 -10.191 -10.523 -10.861 -11.555 -11.696 -11.838 -11.980 -12.123 -12.267 -12.411 -12.556 -12.702 -12.848 -12.995 -13.143 -13.291 -13.440 -13.590 -13.741 -13.892 -14.044 -14.197 -14.351 -14.505 -8.594 -8.102 -7.926 -7.911 -7.997 -8.149 -8.348 -8.580 -8.838 -9.114 -9.404 -9.705 -10.015 -10.333 -10.657 -11.318 -11.452 -11.587 -11.722 -11.858 -11.994 -12.130 -12.267 -12.405 -12.543 -12.682 -12.821 -12.961 -13.102 -13.243 -13.385 -13.527 -13.670 -13.814 -13.958 -14.103 -8.524 -8.011 -7.827 -7.809 -7.890 -8.039 -8.234 -8.462 -8.713 -8.983 -9.265 -9.557 -9.857 -10.163 -10.474 -11.108 -11.236 -11.365 -11.494 -11.624 -11.753 -11.884 -12.015 -12.146 -12.277 -12.410 -12.542 -12.675 -12.809 -12.943 -13.077 -13.212 -13.348 -13.485 -13.622 -13.759 99999.999 -7.926 -7.736 -7.713 -7.791 -7.936 -8.127 -8.351 -8.598 -8.862 -9.137 -9.421 -9.713 -10.009 -10.309 -10.920 -11.043 -11.167 -11.291 -11.415 -11.540 -11.665 -11.791 -11.916 -12.043 -12.169 -12.296 -12.423 -12.551 -12.680 -12.808 -12.938 -13.068 -13.198 -13.329 -13.461 Ho+2 Ho(+2) P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 5 -1.125 1 -0.125 4 1.000 61 0.125 6 0.500 2 56.995 51.490 46.822 42.817 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.995 51.490 46.822 42.817 39.340 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.996 51.491 46.823 42.817 39.341 36.292 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.996 51.491 46.824 42.818 39.341 36.293 33.595 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.997 51.492 46.825 42.819 39.342 36.294 33.596 31.188 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.999 51.494 46.827 42.821 39.344 36.296 33.598 31.190 29.026 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.002 51.497 46.829 42.824 39.347 36.298 33.601 31.193 29.029 27.069 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.006 51.501 46.833 42.828 39.351 36.302 33.605 31.197 29.033 27.073 25.285 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.011 51.507 46.839 42.833 39.356 36.308 33.610 31.203 29.039 27.080 25.293 23.651 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.019 51.514 46.846 42.840 39.364 36.315 33.617 31.211 29.047 27.089 25.302 23.662 22.153 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.028 51.524 46.856 42.850 39.373 36.324 33.627 31.221 29.058 27.100 25.315 23.677 22.168 20.803 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.040 51.536 46.868 42.862 39.385 36.336 33.639 31.233 29.071 27.114 25.331 23.695 22.188 20.808 19.664 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.049 51.546 46.878 42.871 39.394 36.346 33.649 31.243 29.081 27.125 25.343 23.709 22.205 20.821 19.580 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.062 51.560 46.891 42.885 39.407 36.359 33.662 31.257 29.095 27.140 25.360 23.730 22.229 20.844 19.557 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.075 51.573 46.905 42.898 39.420 36.372 33.675 31.270 29.110 27.156 25.377 23.749 22.253 20.871 19.574 20.772 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.088 51.586 46.918 42.911 39.433 36.384 33.688 31.283 29.123 27.170 25.394 23.768 22.276 20.899 19.604 18.787 19.342 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.100 51.599 46.931 42.923 39.445 36.397 33.701 31.296 29.137 27.185 25.409 23.787 22.298 20.927 19.640 18.309 18.312 18.567 19.104 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.113 51.612 46.944 42.936 39.458 36.409 33.713 31.309 29.150 27.199 25.425 23.805 22.320 20.953 19.678 18.092 17.922 17.871 17.975 18.242 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.125 51.625 46.956 42.948 39.470 36.422 33.726 31.322 29.164 27.213 25.440 23.822 22.340 20.979 19.713 17.969 17.721 17.543 17.453 17.469 17.588 17.778 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.137 51.638 46.969 42.961 39.482 36.434 33.738 31.334 29.176 27.227 25.455 23.839 22.359 21.002 19.747 17.892 17.600 17.356 17.170 17.053 17.011 17.041 17.124 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.149 51.650 46.981 42.973 39.494 36.446 33.750 31.347 29.189 27.240 25.469 23.854 22.377 21.024 19.777 17.841 17.522 17.239 16.998 16.806 16.667 16.586 16.558 16.571 16.608 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.161 51.663 46.994 42.985 39.506 36.457 33.762 31.359 29.202 27.253 25.483 23.870 22.395 21.044 19.803 17.807 17.469 17.161 16.885 16.647 16.449 16.295 16.185 16.117 16.083 16.071 16.071 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.172 51.675 47.006 42.997 39.518 36.469 33.773 31.371 29.214 27.266 25.497 23.884 22.411 21.062 19.826 17.783 17.433 17.107 16.808 16.539 16.302 16.100 15.934 15.804 15.708 15.640 15.593 15.560 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.184 51.687 47.018 43.009 39.530 36.481 33.785 31.383 29.226 27.279 25.510 23.899 22.426 21.079 19.846 17.767 17.407 17.068 16.753 16.463 16.199 15.964 15.759 15.584 15.440 15.323 15.230 15.157 15.100 15.053 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.195 51.699 47.030 43.021 39.541 36.492 33.796 31.394 29.238 27.291 25.523 23.912 22.440 21.094 19.863 17.757 17.389 17.041 16.714 16.408 16.125 15.866 15.632 15.425 15.244 15.089 14.957 14.847 14.755 14.678 14.613 99999.999 99999.999 99999.999 99999.999 99999.999 57.206 51.711 47.042 43.032 39.553 36.503 33.808 31.406 29.250 27.303 25.536 23.926 22.454 21.108 19.877 17.751 17.378 17.022 16.685 16.367 16.070 15.794 15.540 15.308 15.099 14.914 14.750 14.608 14.484 14.378 14.286 14.207 14.140 99999.999 99999.999 99999.999 57.218 51.723 47.053 43.044 39.564 36.515 33.819 31.417 29.262 27.316 25.549 23.939 22.467 21.121 19.889 17.749 17.370 17.009 16.665 16.338 16.030 15.740 15.470 15.220 14.990 14.781 14.593 14.423 14.273 14.139 14.022 13.918 13.828 13.749 99999.999 99999.999 57.228 51.735 47.065 43.055 39.575 36.526 33.830 31.428 29.273 27.327 25.561 23.951 22.480 21.133 19.900 17.748 17.366 17.000 16.650 16.316 16.000 15.700 15.418 15.153 14.907 14.680 14.471 14.280 14.106 13.950 13.809 13.683 13.570 13.470 13.382 13.305 57.239 51.746 47.077 43.066 39.586 36.537 33.841 31.440 29.285 27.339 25.573 23.964 22.492 21.145 19.910 17.750 17.365 16.995 16.640 16.301 15.977 15.669 15.377 15.102 14.843 14.601 14.376 14.167 13.975 13.799 13.637 13.491 13.358 13.238 13.130 13.034 57.342 51.856 47.187 43.174 39.692 36.641 33.945 31.544 29.392 27.449 25.686 24.080 22.610 21.260 20.019 17.820 17.421 17.034 16.659 16.296 15.944 15.603 15.273 14.954 14.644 14.345 14.055 13.775 13.505 13.243 12.991 12.748 12.514 12.288 12.070 11.861 57.436 51.958 47.289 43.275 39.790 36.738 34.041 31.640 29.488 27.548 25.788 24.184 22.716 21.368 20.126 17.918 17.516 17.125 16.745 16.377 16.018 15.670 15.332 15.002 14.682 14.371 14.067 13.772 13.485 13.205 12.933 12.667 12.409 12.157 11.911 11.672 57.523 52.054 47.385 43.369 39.883 36.828 34.130 31.728 29.577 27.638 25.879 24.278 22.812 21.466 20.226 18.018 17.614 17.222 16.842 16.471 16.111 15.761 15.420 15.088 14.765 14.450 14.143 13.843 13.551 13.266 12.988 12.716 12.450 12.191 11.937 11.689 57.604 52.144 47.476 43.459 39.970 36.913 34.214 31.811 29.660 27.721 25.964 24.364 22.901 21.557 20.318 18.112 17.709 17.317 16.936 16.566 16.205 15.855 15.513 15.181 14.857 14.541 14.232 13.932 13.638 13.352 13.072 12.798 12.530 12.269 12.013 11.762 57.681 52.231 47.563 43.544 40.053 36.995 34.293 31.890 29.738 27.799 26.043 24.444 22.982 21.640 20.404 18.200 17.797 17.406 17.026 16.656 16.295 15.945 15.604 15.271 14.947 14.631 14.323 14.022 13.728 13.442 13.161 12.888 12.620 12.358 12.101 11.850 57.754 52.314 47.646 43.626 40.134 37.073 34.370 31.965 29.812 27.873 26.117 24.519 23.059 21.718 20.483 18.282 17.880 17.489 17.109 16.740 16.380 16.030 15.689 15.357 15.034 14.718 14.410 14.110 13.816 13.530 13.250 12.976 12.709 12.447 12.191 11.940 57.825 52.394 47.727 43.706 40.211 37.149 34.444 32.038 29.883 27.944 26.188 24.590 23.130 21.790 20.557 18.359 17.958 17.567 17.188 16.819 16.460 16.110 15.770 15.438 15.115 14.800 14.492 14.192 13.900 13.614 13.334 13.061 12.794 12.533 12.277 12.027 99999.999 52.472 47.806 43.783 40.286 37.222 34.515 32.107 29.952 28.011 26.255 24.657 23.198 21.859 20.626 18.431 18.030 17.640 17.261 16.893 16.534 16.185 15.845 15.514 15.191 14.877 14.570 14.270 13.978 13.693 13.414 13.141 12.874 12.614 12.359 12.109 Ho+4 Ho(+4) P-T:All Charge = 4. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 5 1.125 1 0.125 4 1.000 61 -0.125 6 -0.500 2 99.286 91.739 85.290 79.721 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.286 91.739 85.290 79.721 74.865 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.286 91.739 85.290 79.721 74.865 70.593 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.286 91.739 85.290 79.721 74.864 70.593 66.807 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.286 91.739 85.290 79.721 74.864 70.592 66.806 63.429 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.286 91.739 85.289 79.720 74.864 70.592 66.806 63.428 60.397 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.286 91.738 85.289 79.720 74.863 70.591 66.805 63.427 60.396 57.662 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.285 91.738 85.288 79.719 74.862 70.590 66.803 63.425 60.393 57.660 55.185 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.285 91.737 85.287 79.717 74.860 70.588 66.801 63.422 60.390 57.656 55.181 52.932 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.284 91.736 85.285 79.716 74.859 70.586 66.798 63.419 60.387 57.651 55.175 52.925 50.864 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.283 91.734 85.284 79.714 74.856 70.583 66.795 63.415 60.381 57.645 55.167 52.915 50.855 48.921 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.282 91.732 85.281 79.711 74.853 70.579 66.790 63.410 60.375 57.637 55.157 52.902 50.841 48.928 46.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.281 91.731 85.280 79.709 74.851 70.576 66.787 63.406 60.370 57.631 55.150 52.893 50.829 48.923 47.099 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.280 91.729 85.277 79.706 74.847 70.572 66.782 63.400 60.363 57.623 55.139 52.879 50.812 48.908 47.147 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.279 91.727 85.275 79.703 74.844 70.568 66.778 63.394 60.357 57.615 55.129 52.865 50.794 48.888 47.144 39.530 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.278 91.725 85.273 79.701 74.841 70.565 66.773 63.389 60.351 57.608 55.119 52.852 50.777 48.866 47.122 42.137 40.294 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.277 91.724 85.271 79.698 74.838 70.561 66.769 63.384 60.344 57.600 55.110 52.840 50.760 48.844 47.093 42.763 41.644 40.223 38.436 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.276 91.722 85.268 79.696 74.835 70.558 66.765 63.379 60.338 57.593 55.101 52.828 50.744 48.823 47.061 43.053 42.158 41.138 39.941 38.547 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.275 91.720 85.266 79.693 74.832 70.554 66.761 63.374 60.332 57.586 55.092 52.817 50.729 48.803 47.030 43.221 42.428 41.574 40.632 39.578 38.407 37.153 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.275 91.719 85.264 79.691 74.829 70.551 66.757 63.369 60.327 57.579 55.084 52.807 50.716 48.785 47.001 43.331 42.594 41.825 41.009 40.131 39.178 38.152 37.070 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.274 91.717 85.262 79.688 74.826 70.548 66.753 63.365 60.321 57.572 55.076 52.797 50.703 48.768 46.976 43.407 42.705 41.986 41.242 40.463 39.638 38.762 37.838 36.876 35.897 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.274 91.716 85.260 79.686 74.824 70.544 66.749 63.360 60.316 57.566 55.069 52.788 50.692 48.754 46.955 43.462 42.783 42.097 41.398 40.679 39.933 39.154 38.339 37.492 36.618 35.731 34.843 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.273 91.715 85.259 79.684 74.821 70.541 66.745 63.356 60.311 57.560 55.061 52.779 50.682 48.741 46.937 43.502 42.841 42.178 41.509 40.829 40.134 39.418 38.679 37.915 37.128 36.323 35.507 34.688 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.273 91.713 85.257 79.682 74.819 70.538 66.742 63.352 60.306 57.554 55.054 52.771 50.672 48.731 46.923 43.532 42.884 42.237 41.590 40.938 40.277 39.605 38.919 38.215 37.493 36.755 36.004 35.245 34.483 33.721 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.272 91.712 85.255 79.680 74.816 70.535 66.738 63.347 60.301 57.548 55.047 52.763 50.664 48.721 46.912 43.555 42.916 42.282 41.650 41.019 40.384 39.743 39.093 38.432 37.760 37.075 36.378 35.672 34.960 34.245 33.529 99999.999 99999.999 99999.999 99999.999 99999.999 99.272 91.711 85.253 79.678 74.814 70.533 66.735 63.343 60.296 57.542 55.041 52.756 50.656 48.713 46.904 43.573 42.941 42.317 41.697 41.080 40.464 39.846 39.224 38.595 37.959 37.315 36.662 36.000 35.332 34.660 33.985 33.308 32.632 99999.999 99999.999 99999.999 99.272 91.710 85.252 79.676 74.811 70.530 66.732 63.339 60.291 57.537 55.035 52.749 50.649 48.707 46.898 43.586 42.960 42.343 41.733 41.128 40.526 39.925 39.324 38.720 38.112 37.498 36.879 36.254 35.624 34.989 34.351 33.710 33.068 32.426 99999.999 99999.999 99.271 91.709 85.250 79.674 74.809 70.527 66.728 63.336 60.287 57.531 55.029 52.742 50.642 48.700 46.894 43.596 42.975 42.364 41.762 41.166 40.575 39.987 39.402 38.816 38.230 37.641 37.049 36.453 35.854 35.251 34.645 34.036 33.426 32.815 32.203 31.591 99.271 91.708 85.249 79.672 74.807 70.524 66.725 63.332 60.282 57.526 55.023 52.736 50.635 48.695 46.890 43.603 42.986 42.380 41.784 41.195 40.613 40.036 39.463 38.893 38.323 37.754 37.183 36.611 36.037 35.460 34.882 34.301 33.719 33.136 32.553 31.969 99.272 91.699 85.236 79.655 74.787 70.501 66.697 63.298 60.243 57.480 54.969 52.677 50.574 48.634 46.837 43.600 43.002 42.418 41.848 41.290 40.745 40.211 39.688 39.175 38.671 38.177 37.691 37.214 36.743 36.279 35.822 35.371 34.925 34.485 34.049 33.619 99.277 91.694 85.226 79.642 74.771 70.481 66.674 63.271 60.211 57.442 54.926 52.628 50.520 48.577 46.780 43.553 42.959 42.380 41.816 41.265 40.728 40.204 39.692 39.192 38.703 38.224 37.756 37.298 36.850 36.411 35.980 35.558 35.144 34.738 34.339 33.948 99.286 91.692 85.219 79.632 74.757 70.466 66.656 63.249 60.184 57.411 54.890 52.587 50.474 48.527 46.727 43.498 42.905 42.327 41.764 41.216 40.681 40.159 39.650 39.153 38.668 38.195 37.732 37.280 36.838 36.405 35.982 35.569 35.164 34.768 34.380 34.000 99.296 91.692 85.214 79.623 74.747 70.452 66.640 63.230 60.162 57.386 54.860 52.552 50.434 48.483 46.679 43.446 42.852 42.274 41.711 41.162 40.627 40.106 39.598 39.102 38.617 38.145 37.683 37.233 36.792 36.362 35.941 35.530 35.128 34.735 34.350 33.973 99.309 91.694 85.211 79.617 74.738 70.441 66.626 63.214 60.143 57.363 54.834 52.522 50.401 48.445 46.637 43.398 42.803 42.224 41.660 41.110 40.575 40.053 39.544 39.048 38.564 38.091 37.629 37.179 36.738 36.308 35.888 35.477 35.075 34.682 34.298 33.922 99.322 91.697 85.209 79.612 74.730 70.431 66.614 63.200 60.127 57.344 54.812 52.497 50.371 48.413 46.601 43.355 42.759 42.178 41.613 41.063 40.527 40.004 39.494 38.997 38.512 38.039 37.576 37.125 36.684 36.253 35.832 35.421 35.019 34.625 34.241 33.864 99.337 91.701 85.208 79.608 74.724 70.423 66.604 63.188 60.113 57.328 54.793 52.475 50.346 48.384 46.569 43.316 42.719 42.138 41.571 41.020 40.483 39.959 39.448 38.950 38.464 37.990 37.527 37.074 36.633 36.201 35.779 35.367 34.964 34.570 34.184 33.807 99999.999 91.706 85.208 79.606 74.719 70.416 66.595 63.178 60.100 57.313 54.776 52.455 50.324 48.359 46.541 43.282 42.684 42.101 41.534 40.981 40.443 39.918 39.407 38.908 38.420 37.945 37.481 37.028 36.585 36.153 35.730 35.317 34.913 34.518 34.132 33.754 HoCO3+ HoCO3+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 3 -1.000 1 1.000 5 1.000 61 2.158 2.259 2.371 2.486 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.158 2.259 2.371 2.486 2.597 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.158 2.259 2.371 2.486 2.597 2.699 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.157 2.259 2.371 2.486 2.597 2.699 2.788 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.157 2.258 2.370 2.485 2.597 2.699 2.788 2.858 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.157 2.258 2.370 2.485 2.597 2.699 2.788 2.859 2.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.156 2.257 2.369 2.484 2.596 2.699 2.789 2.860 2.908 2.926 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.155 2.255 2.367 2.483 2.595 2.699 2.789 2.862 2.911 2.930 2.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.153 2.253 2.366 2.482 2.595 2.699 2.790 2.864 2.915 2.936 2.916 2.835 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.151 2.250 2.363 2.479 2.593 2.699 2.791 2.867 2.920 2.945 2.929 2.856 2.694 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.148 2.247 2.359 2.477 2.591 2.698 2.793 2.870 2.926 2.955 2.946 2.883 2.740 2.455 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.144 2.241 2.355 2.473 2.589 2.697 2.794 2.874 2.934 2.967 2.965 2.915 2.793 2.552 2.017 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.141 2.237 2.351 2.470 2.587 2.697 2.795 2.877 2.939 2.976 2.980 2.938 2.831 2.619 2.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.136 2.231 2.345 2.465 2.583 2.695 2.795 2.880 2.946 2.988 2.999 2.969 2.882 2.705 2.336 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.130 2.225 2.339 2.460 2.580 2.693 2.796 2.884 2.953 3.000 3.018 2.998 2.928 2.781 2.477 1.267 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.124 2.218 2.333 2.455 2.576 2.691 2.796 2.886 2.959 3.010 3.034 3.025 2.970 2.850 2.599 2.183 1.700 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.118 2.211 2.326 2.449 2.572 2.689 2.796 2.889 2.965 3.020 3.050 3.049 3.009 2.911 2.706 2.429 2.206 1.841 1.199 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.112 2.204 2.320 2.444 2.568 2.687 2.795 2.891 2.970 3.029 3.065 3.072 3.044 2.967 2.801 2.581 2.432 2.225 1.921 1.459 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.105 2.196 2.313 2.438 2.564 2.684 2.795 2.892 2.974 3.037 3.078 3.093 3.076 3.017 2.884 2.695 2.582 2.436 2.243 1.978 1.611 1.113 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.098 2.189 2.306 2.432 2.559 2.681 2.794 2.894 2.979 3.045 3.091 3.113 3.105 3.062 2.957 2.788 2.697 2.585 2.443 2.262 2.026 1.718 1.324 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.090 2.181 2.299 2.426 2.554 2.678 2.792 2.895 2.982 3.052 3.103 3.130 3.132 3.102 3.022 2.868 2.792 2.701 2.590 2.452 2.282 2.068 1.803 1.477 1.090 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.083 2.173 2.291 2.420 2.549 2.674 2.791 2.895 2.986 3.059 3.114 3.147 3.157 3.138 3.079 2.937 2.874 2.798 2.706 2.597 2.464 2.304 2.109 1.876 1.599 1.279 0.920 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.075 2.165 2.284 2.413 2.544 2.671 2.789 2.896 2.989 3.065 3.124 3.162 3.179 3.171 3.128 2.999 2.945 2.881 2.804 2.713 2.606 2.479 2.328 2.150 1.942 1.702 1.432 1.133 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.066 2.156 2.276 2.406 2.539 2.667 2.787 2.896 2.991 3.071 3.133 3.176 3.199 3.200 3.171 3.055 3.009 2.954 2.889 2.812 2.723 2.618 2.496 2.354 2.191 2.004 1.794 1.562 1.309 1.041 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.058 2.147 2.268 2.400 2.533 2.663 2.785 2.896 2.994 3.076 3.142 3.189 3.218 3.226 3.209 3.106 3.067 3.019 2.963 2.898 2.822 2.734 2.632 2.516 2.383 2.233 2.065 1.879 1.677 1.460 1.233 99999.999 99999.999 99999.999 99999.999 99999.999 2.049 2.138 2.260 2.392 2.527 2.658 2.782 2.895 2.995 3.081 3.150 3.202 3.235 3.249 3.241 3.154 3.119 3.078 3.030 2.974 2.909 2.834 2.748 2.650 2.539 2.415 2.276 2.124 1.959 1.781 1.594 1.399 1.200 99999.999 99999.999 99999.999 2.040 2.129 2.251 2.385 2.521 2.654 2.779 2.895 2.997 3.085 3.157 3.213 3.251 3.271 3.270 3.197 3.168 3.133 3.091 3.042 2.986 2.921 2.847 2.764 2.670 2.565 2.449 2.321 2.183 2.035 1.879 1.715 1.547 1.376 99999.999 99999.999 2.031 2.120 2.243 2.378 2.515 2.650 2.777 2.894 2.998 3.089 3.164 3.223 3.266 3.290 3.296 3.238 3.213 3.183 3.147 3.104 3.055 2.999 2.935 2.863 2.782 2.692 2.593 2.485 2.367 2.242 2.109 1.970 1.827 1.680 1.533 1.386 2.022 2.111 2.234 2.370 2.509 2.645 2.774 2.893 2.999 3.093 3.171 3.233 3.279 3.308 3.319 3.276 3.255 3.229 3.198 3.162 3.119 3.070 3.014 2.951 2.881 2.803 2.717 2.624 2.523 2.415 2.301 2.181 2.058 1.931 1.803 1.675 1.915 2.008 2.141 2.288 2.440 2.589 2.733 2.870 2.996 3.112 3.215 3.305 3.383 3.448 3.499 3.560 3.565 3.568 3.567 3.564 3.558 3.549 3.537 3.522 3.503 3.482 3.458 3.431 3.400 3.368 3.332 3.294 3.254 3.212 3.168 3.123 1.791 1.891 2.035 2.195 2.359 2.521 2.680 2.831 2.974 3.108 3.231 3.343 3.444 3.535 3.614 3.741 3.761 3.779 3.795 3.809 3.821 3.831 3.839 3.845 3.849 3.851 3.851 3.849 3.845 3.839 3.831 3.821 3.809 3.796 3.781 3.764 1.652 1.763 1.920 2.092 2.268 2.444 2.615 2.780 2.937 3.086 3.226 3.357 3.477 3.588 3.689 3.864 3.894 3.923 3.950 3.976 4.000 4.023 4.044 4.063 4.081 4.097 4.111 4.124 4.135 4.145 4.153 4.159 4.164 4.167 4.169 4.170 1.501 1.626 1.796 1.982 2.171 2.359 2.542 2.720 2.890 3.053 3.207 3.353 3.489 3.617 3.736 3.949 3.988 4.025 4.061 4.095 4.128 4.160 4.190 4.219 4.246 4.272 4.297 4.320 4.342 4.363 4.382 4.399 4.415 4.430 4.444 4.456 1.341 1.482 1.666 1.865 2.067 2.267 2.462 2.652 2.834 3.009 3.176 3.335 3.486 3.629 3.763 4.007 4.053 4.097 4.139 4.181 4.221 4.260 4.297 4.334 4.369 4.402 4.435 4.466 4.496 4.525 4.552 4.578 4.602 4.626 4.648 4.669 1.174 1.332 1.531 1.743 1.958 2.170 2.377 2.577 2.771 2.957 3.136 3.307 3.471 3.626 3.774 4.046 4.096 4.146 4.194 4.242 4.288 4.332 4.376 4.418 4.460 4.500 4.538 4.576 4.612 4.647 4.681 4.714 4.745 4.775 4.804 4.832 1.001 1.177 1.391 1.617 1.845 2.068 2.286 2.498 2.702 2.899 3.089 3.271 3.445 3.612 3.772 4.068 4.123 4.178 4.231 4.284 4.335 4.385 4.433 4.481 4.527 4.572 4.616 4.659 4.701 4.741 4.780 4.818 4.855 4.891 4.925 4.958 99999.999 1.018 1.247 1.487 1.727 1.963 2.192 2.414 2.629 2.836 3.035 3.227 3.412 3.590 3.759 4.077 4.137 4.196 4.254 4.310 4.366 4.420 4.473 4.525 4.576 4.626 4.674 4.722 4.768 4.813 4.856 4.899 4.940 4.980 5.019 5.057 HoHCO3+2 HoHCO3+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 2 1.000 5 1.000 61 -1.664 -1.699 -1.854 -2.071 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.664 -1.699 -1.854 -2.071 -2.326 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.664 -1.699 -1.854 -2.071 -2.326 -2.609 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.664 -1.699 -1.854 -2.070 -2.326 -2.609 -2.915 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.663 -1.698 -1.853 -2.070 -2.325 -2.608 -2.914 -3.241 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.663 -1.698 -1.853 -2.069 -2.324 -2.607 -2.913 -3.239 -3.588 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.661 -1.697 -1.852 -2.068 -2.323 -2.606 -2.911 -3.237 -3.584 -3.957 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.660 -1.696 -1.851 -2.067 -2.322 -2.604 -2.908 -3.234 -3.580 -3.951 -4.356 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.658 -1.694 -1.849 -2.066 -2.320 -2.601 -2.905 -3.229 -3.574 -3.943 -4.345 -4.794 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.655 -1.692 -1.847 -2.063 -2.317 -2.598 -2.900 -3.223 -3.566 -3.932 -4.330 -4.772 -5.278 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.651 -1.690 -1.845 -2.061 -2.314 -2.593 -2.895 -3.216 -3.556 -3.919 -4.311 -4.744 -5.236 -5.815 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.647 -1.687 -1.842 -2.057 -2.309 -2.588 -2.887 -3.206 -3.544 -3.902 -4.288 -4.710 -5.185 -5.739 -6.437 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.644 -1.685 -1.840 -2.055 -2.306 -2.584 -2.882 -3.199 -3.534 -3.890 -4.271 -4.685 -5.147 -5.682 -6.370 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.641 -1.682 -1.838 -2.052 -2.302 -2.578 -2.875 -3.189 -3.521 -3.873 -4.247 -4.651 -5.097 -5.605 -6.255 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.637 -1.680 -1.835 -2.049 -2.298 -2.573 -2.868 -3.180 -3.509 -3.856 -4.224 -4.619 -5.049 -5.533 -6.140 -5.732 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.634 -1.678 -1.833 -2.046 -2.295 -2.568 -2.861 -3.171 -3.498 -3.841 -4.203 -4.589 -5.006 -5.467 -6.032 -6.263 -6.185 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.632 -1.677 -1.832 -2.044 -2.292 -2.564 -2.855 -3.163 -3.487 -3.826 -4.183 -4.561 -4.965 -5.407 -5.933 -6.348 -6.417 -6.439 -6.467 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.629 -1.675 -1.830 -2.042 -2.289 -2.560 -2.849 -3.155 -3.476 -3.812 -4.164 -4.535 -4.927 -5.351 -5.843 -6.353 -6.467 -6.560 -6.631 -6.710 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.627 -1.674 -1.829 -2.040 -2.286 -2.556 -2.844 -3.147 -3.466 -3.799 -4.146 -4.510 -4.893 -5.300 -5.761 -6.334 -6.466 -6.587 -6.696 -6.795 -6.903 -7.048 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.626 -1.673 -1.828 -2.039 -2.284 -2.552 -2.838 -3.140 -3.456 -3.786 -4.129 -4.487 -4.861 -5.254 -5.689 -6.305 -6.445 -6.579 -6.706 -6.826 -6.943 -7.067 -7.214 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.625 -1.673 -1.827 -2.037 -2.281 -2.549 -2.834 -3.133 -3.447 -3.774 -4.113 -4.465 -4.831 -5.212 -5.625 -6.273 -6.416 -6.556 -6.692 -6.823 -6.951 -7.079 -7.212 -7.360 -7.532 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.624 -1.673 -1.827 -2.036 -2.279 -2.545 -2.829 -3.127 -3.438 -3.762 -4.098 -4.445 -4.804 -5.175 -5.568 -6.239 -6.383 -6.526 -6.666 -6.804 -6.939 -7.072 -7.206 -7.345 -7.493 -7.654 -7.831 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.624 -1.673 -1.827 -2.035 -2.278 -2.543 -2.825 -3.121 -3.430 -3.751 -4.083 -4.426 -4.779 -5.141 -5.519 -6.205 -6.349 -6.492 -6.635 -6.775 -6.915 -7.052 -7.189 -7.327 -7.468 -7.614 -7.768 -7.930 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.623 -1.673 -1.827 -2.035 -2.276 -2.540 -2.820 -3.115 -3.422 -3.741 -4.070 -4.408 -4.755 -5.110 -5.476 -6.171 -6.314 -6.458 -6.601 -6.743 -6.884 -7.024 -7.163 -7.302 -7.442 -7.583 -7.727 -7.874 -8.025 -8.178 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.624 -1.674 -1.827 -2.034 -2.275 -2.537 -2.817 -3.109 -3.414 -3.730 -4.057 -4.392 -4.734 -5.083 -5.439 -6.137 -6.280 -6.423 -6.566 -6.708 -6.850 -6.991 -7.132 -7.272 -7.412 -7.551 -7.692 -7.833 -7.975 -8.117 -8.258 99999.999 99999.999 99999.999 99999.999 99999.999 -1.624 -1.674 -1.827 -2.034 -2.274 -2.535 -2.813 -3.104 -3.407 -3.721 -4.044 -4.376 -4.714 -5.058 -5.407 -6.105 -6.247 -6.388 -6.531 -6.673 -6.814 -6.956 -7.097 -7.238 -7.378 -7.517 -7.656 -7.795 -7.933 -8.070 -8.205 -8.336 -8.463 99999.999 99999.999 99999.999 -1.625 -1.675 -1.828 -2.034 -2.273 -2.533 -2.810 -3.099 -3.400 -3.712 -4.032 -4.361 -4.696 -5.035 -5.379 -6.073 -6.214 -6.355 -6.496 -6.637 -6.778 -6.920 -7.061 -7.201 -7.342 -7.481 -7.620 -7.757 -7.894 -8.028 -8.161 -8.289 -8.414 -8.532 99999.999 99999.999 -1.626 -1.677 -1.829 -2.034 -2.272 -2.532 -2.807 -3.095 -3.394 -3.703 -4.021 -4.346 -4.678 -5.014 -5.354 -6.043 -6.182 -6.321 -6.461 -6.602 -6.742 -6.883 -7.023 -7.164 -7.304 -7.443 -7.582 -7.719 -7.855 -7.989 -8.120 -8.248 -8.371 -8.490 -8.602 -8.706 -1.627 -1.678 -1.830 -2.035 -2.272 -2.530 -2.804 -3.090 -3.387 -3.694 -4.010 -4.333 -4.662 -4.995 -5.331 -6.013 -6.151 -6.289 -6.428 -6.567 -6.706 -6.846 -6.986 -7.126 -7.265 -7.404 -7.542 -7.679 -7.815 -7.949 -8.080 -8.208 -8.332 -8.451 -8.565 -8.672 -1.655 -1.704 -1.851 -2.048 -2.276 -2.524 -2.786 -3.059 -3.339 -3.627 -3.922 -4.221 -4.525 -4.832 -5.141 -5.763 -5.888 -6.014 -6.140 -6.267 -6.393 -6.521 -6.648 -6.777 -6.905 -7.034 -7.162 -7.291 -7.420 -7.549 -7.677 -7.805 -7.932 -8.058 -8.183 -8.306 -1.705 -1.748 -1.886 -2.076 -2.295 -2.534 -2.785 -3.045 -3.313 -3.585 -3.863 -4.144 -4.428 -4.714 -5.001 -5.578 -5.693 -5.809 -5.925 -6.041 -6.157 -6.274 -6.391 -6.508 -6.625 -6.743 -6.860 -6.979 -7.097 -7.216 -7.334 -7.453 -7.572 -7.691 -7.810 -7.929 -1.772 -1.805 -1.935 -2.115 -2.326 -2.555 -2.797 -3.046 -3.302 -3.561 -3.824 -4.090 -4.358 -4.627 -4.897 -5.436 -5.544 -5.652 -5.760 -5.868 -5.976 -6.084 -6.192 -6.300 -6.409 -6.517 -6.626 -6.735 -6.844 -6.954 -7.064 -7.174 -7.284 -7.394 -7.505 -7.616 -1.853 -1.873 -1.993 -2.164 -2.365 -2.586 -2.818 -3.058 -3.303 -3.551 -3.802 -4.055 -4.309 -4.563 -4.818 -5.327 -5.428 -5.529 -5.631 -5.732 -5.833 -5.934 -6.036 -6.137 -6.238 -6.340 -6.441 -6.543 -6.645 -6.746 -6.849 -6.951 -7.053 -7.156 -7.259 -7.362 -1.946 -1.951 -2.060 -2.221 -2.413 -2.624 -2.848 -3.078 -3.314 -3.552 -3.793 -4.034 -4.276 -4.518 -4.760 -5.241 -5.337 -5.433 -5.529 -5.625 -5.720 -5.816 -5.911 -6.007 -6.102 -6.197 -6.293 -6.388 -6.484 -6.580 -6.675 -6.771 -6.868 -6.964 -7.061 -7.157 -2.047 -2.037 -2.133 -2.284 -2.467 -2.669 -2.884 -3.106 -3.333 -3.562 -3.793 -4.024 -4.255 -4.486 -4.717 -5.175 -5.267 -5.358 -5.449 -5.539 -5.630 -5.721 -5.811 -5.902 -5.992 -6.082 -6.173 -6.263 -6.354 -6.444 -6.535 -6.625 -6.716 -6.807 -6.898 -6.990 -2.156 -2.128 -2.213 -2.353 -2.527 -2.720 -2.926 -3.140 -3.359 -3.579 -3.801 -4.023 -4.245 -4.466 -4.687 -5.124 -5.212 -5.298 -5.385 -5.472 -5.558 -5.645 -5.731 -5.817 -5.903 -5.989 -6.075 -6.161 -6.247 -6.333 -6.419 -6.506 -6.592 -6.679 -6.765 -6.852 99999.999 -2.225 -2.298 -2.428 -2.591 -2.776 -2.973 -3.179 -3.390 -3.603 -3.817 -4.030 -4.243 -4.456 -4.667 -5.086 -5.170 -5.253 -5.336 -5.419 -5.502 -5.584 -5.667 -5.749 -5.831 -5.914 -5.996 -6.078 -6.160 -6.243 -6.325 -6.407 -6.490 -6.572 -6.655 -6.738 HoOH+2 HoOH+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 3 -1.000 1 1.000 2 1.000 61 9.037 7.761 6.697 5.799 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.037 7.761 6.697 5.799 5.032 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.038 7.761 6.697 5.800 5.032 4.368 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.039 7.763 6.698 5.801 5.033 4.369 3.787 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.041 7.765 6.700 5.802 5.035 4.371 3.789 3.273 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.044 7.768 6.703 5.805 5.038 4.374 3.792 3.275 2.812 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.049 7.773 6.708 5.810 5.042 4.378 3.796 3.280 2.816 2.394 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.055 7.779 6.715 5.816 5.049 4.384 3.802 3.286 2.822 2.401 2.010 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.064 7.789 6.724 5.825 5.057 4.392 3.810 3.294 2.831 2.410 2.020 1.653 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.076 7.801 6.736 5.837 5.068 4.404 3.821 3.305 2.842 2.422 2.033 1.667 1.322 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.092 7.817 6.751 5.852 5.083 4.418 3.836 3.320 2.857 2.437 2.050 1.686 1.342 1.037 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.112 7.837 6.771 5.871 5.102 4.436 3.854 3.338 2.876 2.457 2.071 1.711 1.370 1.054 0.857 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.128 7.853 6.787 5.886 5.116 4.450 3.868 3.352 2.890 2.472 2.088 1.729 1.391 1.074 0.796 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.150 7.876 6.809 5.907 5.137 4.471 3.888 3.372 2.911 2.493 2.111 1.755 1.422 1.106 0.793 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.171 7.898 6.830 5.928 5.157 4.490 3.907 3.392 2.930 2.514 2.133 1.781 1.452 1.141 0.823 3.420 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.193 7.919 6.851 5.948 5.177 4.510 3.926 3.411 2.950 2.534 2.155 1.806 1.481 1.177 0.865 1.682 2.444 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.214 7.941 6.872 5.969 5.196 4.529 3.945 3.430 2.969 2.554 2.176 1.829 1.509 1.211 0.911 1.269 1.547 2.037 2.758 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.234 7.962 6.893 5.989 5.216 4.548 3.964 3.448 2.988 2.574 2.197 1.853 1.536 1.244 0.956 1.087 1.213 1.436 1.785 2.265 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.255 7.983 6.913 6.009 5.235 4.566 3.983 3.467 3.007 2.593 2.217 1.875 1.562 1.275 0.999 0.987 1.045 1.156 1.337 1.602 1.947 2.342 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.275 8.004 6.934 6.028 5.254 4.585 4.001 3.485 3.025 2.612 2.237 1.896 1.587 1.305 1.039 0.927 0.947 1.001 1.097 1.247 1.454 1.716 2.015 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.295 8.024 6.954 6.047 5.273 4.603 4.019 3.503 3.043 2.630 2.256 1.917 1.610 1.332 1.075 0.890 0.886 0.906 0.955 1.039 1.163 1.330 1.535 1.769 2.014 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.314 8.044 6.973 6.066 5.291 4.621 4.036 3.520 3.061 2.648 2.275 1.937 1.632 1.357 1.108 0.867 0.847 0.845 0.864 0.908 0.981 1.085 1.221 1.387 1.574 1.774 1.977 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.334 8.064 6.993 6.085 5.309 4.639 4.054 3.538 3.078 2.666 2.294 1.957 1.653 1.380 1.136 0.854 0.822 0.805 0.804 0.821 0.860 0.923 1.011 1.124 1.259 1.413 1.579 1.751 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.353 8.084 7.012 6.104 5.327 4.656 4.071 3.555 3.096 2.684 2.312 1.976 1.673 1.402 1.161 0.847 0.807 0.778 0.763 0.762 0.778 0.812 0.866 0.941 1.035 1.148 1.276 1.416 1.563 1.715 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.372 8.103 7.031 6.122 5.345 4.674 4.088 3.572 3.113 2.701 2.329 1.994 1.692 1.422 1.183 0.845 0.798 0.762 0.736 0.721 0.721 0.734 0.764 0.811 0.874 0.954 1.049 1.157 1.276 1.404 1.538 99999.999 99999.999 99999.999 99999.999 99999.999 9.390 8.123 7.050 6.141 5.363 4.691 4.105 3.589 3.129 2.718 2.347 2.012 1.710 1.440 1.202 0.846 0.795 0.752 0.717 0.693 0.680 0.679 0.691 0.716 0.756 0.810 0.878 0.959 1.052 1.155 1.266 1.384 1.509 99999.999 99999.999 99999.999 9.409 8.142 7.069 6.159 5.380 4.708 4.121 3.605 3.146 2.734 2.364 2.029 1.727 1.457 1.219 0.850 0.795 0.746 0.706 0.674 0.652 0.639 0.637 0.647 0.669 0.703 0.749 0.807 0.877 0.957 1.046 1.144 1.249 1.361 99999.999 99999.999 9.427 8.161 7.087 6.176 5.397 4.725 4.138 3.621 3.162 2.751 2.380 2.046 1.744 1.474 1.235 0.856 0.797 0.745 0.700 0.662 0.632 0.611 0.598 0.596 0.603 0.622 0.651 0.691 0.741 0.801 0.871 0.949 1.035 1.129 1.229 1.337 9.445 8.179 7.105 6.194 5.414 4.741 4.154 3.637 3.178 2.767 2.397 2.062 1.761 1.490 1.250 0.863 0.802 0.747 0.698 0.655 0.619 0.591 0.570 0.558 0.555 0.560 0.575 0.600 0.634 0.678 0.730 0.791 0.860 0.936 1.019 1.110 9.615 8.356 7.279 6.362 5.577 4.898 4.308 3.789 3.329 2.919 2.550 2.218 1.916 1.644 1.398 0.978 0.905 0.836 0.770 0.707 0.647 0.591 0.538 0.488 0.442 0.399 0.359 0.323 0.290 0.260 0.234 0.211 0.192 0.177 0.164 0.156 9.769 8.519 7.439 6.516 5.726 5.043 4.448 3.927 3.466 3.055 2.687 2.356 2.056 1.784 1.537 1.110 1.034 0.962 0.891 0.824 0.759 0.697 0.637 0.579 0.524 0.471 0.419 0.370 0.323 0.278 0.235 0.193 0.154 0.116 0.079 0.045 9.911 8.669 7.587 6.660 5.864 5.177 4.578 4.054 3.591 3.180 2.812 2.481 2.182 1.911 1.665 1.237 1.161 1.087 1.016 0.947 0.881 0.817 0.755 0.695 0.637 0.581 0.527 0.474 0.423 0.374 0.326 0.279 0.234 0.190 0.147 0.105 10.042 8.811 7.727 6.796 5.995 5.303 4.700 4.173 3.707 3.295 2.927 2.596 2.298 2.028 1.783 1.356 1.280 1.206 1.134 1.066 0.999 0.935 0.872 0.812 0.753 0.697 0.642 0.588 0.536 0.486 0.436 0.388 0.341 0.295 0.251 0.207 10.166 8.945 7.860 6.925 6.119 5.422 4.816 4.285 3.817 3.403 3.034 2.703 2.405 2.136 1.891 1.466 1.390 1.316 1.245 1.177 1.110 1.046 0.984 0.924 0.865 0.808 0.753 0.700 0.648 0.597 0.548 0.499 0.452 0.406 0.361 0.317 10.284 9.073 7.988 7.048 6.238 5.537 4.926 4.392 3.921 3.505 3.134 2.803 2.505 2.236 1.992 1.569 1.493 1.420 1.349 1.280 1.214 1.150 1.088 1.028 0.970 0.914 0.859 0.806 0.754 0.704 0.655 0.607 0.560 0.514 0.469 0.426 10.396 9.196 8.110 7.167 6.352 5.646 5.032 4.494 4.021 3.602 3.230 2.898 2.599 2.331 2.087 1.665 1.589 1.516 1.446 1.377 1.312 1.248 1.186 1.127 1.069 1.013 0.958 0.905 0.854 0.804 0.755 0.708 0.661 0.616 0.572 0.529 99999.999 9.316 8.228 7.281 6.462 5.752 5.134 4.593 4.117 3.696 3.322 2.988 2.689 2.420 2.176 1.755 1.679 1.607 1.536 1.468 1.403 1.340 1.278 1.219 1.161 1.106 1.051 0.999 0.948 0.898 0.850 0.803 0.757 0.712 0.668 0.625 HoO+ HoO+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 3 -2.000 1 1.000 2 1.000 61 18.430 16.044 14.101 12.492 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.430 16.044 14.101 12.492 11.138 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.431 16.045 14.102 12.492 11.138 9.984 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.432 16.046 14.103 12.494 11.140 9.985 8.988 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.434 16.048 14.105 12.496 11.142 9.987 8.990 8.118 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.438 16.051 14.109 12.499 11.145 9.991 8.993 8.121 7.349 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.443 16.057 14.114 12.504 11.150 9.995 8.998 8.126 7.355 6.661 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.450 16.064 14.121 12.511 11.157 10.002 9.006 8.134 7.362 6.670 6.034 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.460 16.074 14.131 12.521 11.166 10.012 9.015 8.144 7.373 6.681 6.048 5.455 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.474 16.088 14.144 12.534 11.179 10.025 9.028 8.158 7.388 6.697 6.066 5.476 4.920 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.491 16.105 14.162 12.551 11.196 10.041 9.045 8.175 7.406 6.717 6.089 5.504 4.952 4.453 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.513 16.128 14.184 12.572 11.217 10.063 9.067 8.198 7.430 6.743 6.118 5.539 4.993 4.483 4.128 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.530 16.145 14.201 12.589 11.233 10.079 9.083 8.215 7.448 6.762 6.140 5.565 5.026 4.516 4.051 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.554 16.170 14.225 12.612 11.257 10.102 9.107 8.239 7.473 6.790 6.171 5.602 5.071 4.568 4.059 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.578 16.194 14.248 12.635 11.279 10.125 9.130 8.263 7.498 6.817 6.201 5.638 5.116 4.623 4.113 7.719 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.602 16.218 14.272 12.658 11.302 10.147 9.152 8.286 7.522 6.843 6.231 5.673 5.159 4.677 4.182 5.301 6.352 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.625 16.241 14.295 12.681 11.324 10.169 9.175 8.309 7.546 6.868 6.259 5.706 5.200 4.730 4.255 4.726 5.105 5.775 6.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.648 16.264 14.318 12.703 11.346 10.191 9.197 8.331 7.570 6.893 6.287 5.738 5.239 4.780 4.327 4.474 4.642 4.942 5.417 6.063 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.670 16.287 14.340 12.725 11.367 10.212 9.218 8.353 7.593 6.918 6.314 5.769 5.276 4.827 4.395 4.339 4.410 4.556 4.799 5.156 5.619 6.140 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.692 16.310 14.362 12.747 11.389 10.233 9.240 8.375 7.616 6.942 6.340 5.799 5.311 4.871 4.457 4.259 4.278 4.344 4.471 4.670 4.948 5.297 5.690 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.714 16.332 14.384 12.768 11.410 10.254 9.261 8.397 7.638 6.966 6.365 5.827 5.345 4.912 4.513 4.211 4.197 4.216 4.277 4.386 4.551 4.773 5.046 5.352 5.670 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.736 16.354 14.406 12.789 11.430 10.275 9.281 8.418 7.660 6.989 6.390 5.855 5.376 4.949 4.563 4.183 4.147 4.136 4.155 4.209 4.303 4.441 4.621 4.840 5.085 5.345 5.605 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.757 16.376 14.427 12.810 11.451 10.295 9.302 8.439 7.681 7.011 6.414 5.881 5.405 4.983 4.606 4.167 4.115 4.084 4.075 4.093 4.141 4.222 4.338 4.487 4.665 4.867 5.083 5.305 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.778 16.398 14.449 12.831 11.471 10.315 9.322 8.459 7.702 7.033 6.438 5.906 5.433 5.014 4.644 4.160 4.097 4.051 4.023 4.016 4.032 4.074 4.143 4.241 4.365 4.514 4.683 4.865 5.057 5.254 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.799 16.419 14.470 12.851 11.491 10.335 9.342 8.479 7.723 7.055 6.461 5.931 5.459 5.042 4.677 4.160 4.089 4.031 3.989 3.963 3.957 3.971 4.008 4.067 4.150 4.255 4.381 4.524 4.680 4.848 5.023 99999.999 99999.999 99999.999 99999.999 99999.999 18.819 16.440 14.490 12.872 11.511 10.355 9.361 8.499 7.744 7.077 6.483 5.955 5.484 5.069 4.705 4.165 4.086 4.020 3.967 3.928 3.905 3.899 3.911 3.942 3.993 4.064 4.154 4.261 4.384 4.521 4.668 4.825 4.990 99999.999 99999.999 99999.999 18.839 16.461 14.511 12.892 11.531 10.374 9.381 8.519 7.764 7.098 6.505 5.978 5.508 5.093 4.730 4.173 4.089 4.016 3.955 3.906 3.870 3.849 3.842 3.852 3.879 3.923 3.983 4.061 4.154 4.260 4.380 4.511 4.652 4.802 99999.999 99999.999 18.859 16.482 14.531 12.911 11.550 10.393 9.400 8.538 7.784 7.118 6.527 6.000 5.531 5.116 4.753 4.183 4.096 4.018 3.950 3.893 3.847 3.814 3.793 3.786 3.794 3.817 3.855 3.907 3.974 4.055 4.149 4.255 4.372 4.499 4.636 4.783 18.879 16.502 14.551 12.931 11.569 10.412 9.419 8.557 7.804 7.139 6.548 6.022 5.554 5.139 4.775 4.196 4.105 4.023 3.950 3.886 3.833 3.790 3.759 3.739 3.732 3.738 3.757 3.789 3.835 3.893 3.965 4.047 4.142 4.246 4.362 4.486 19.065 16.695 14.742 13.117 11.751 10.591 9.597 8.737 7.987 7.328 6.744 6.225 5.763 5.351 4.984 4.371 4.266 4.167 4.073 3.985 3.901 3.823 3.749 3.681 3.617 3.559 3.505 3.457 3.413 3.375 3.341 3.313 3.290 3.272 3.260 3.252 19.233 16.872 14.917 13.288 11.917 10.754 9.758 8.898 8.150 7.495 6.917 6.404 5.947 5.540 5.176 4.562 4.456 4.354 4.256 4.163 4.074 3.989 3.908 3.831 3.757 3.687 3.620 3.556 3.495 3.437 3.382 3.330 3.281 3.234 3.190 3.148 19.387 17.036 15.079 13.446 12.072 10.905 9.907 9.046 8.299 7.646 7.071 6.563 6.112 5.709 5.350 4.742 4.636 4.534 4.437 4.344 4.255 4.169 4.087 4.008 3.933 3.860 3.790 3.723 3.659 3.597 3.537 3.479 3.424 3.370 3.318 3.268 19.529 17.190 15.232 13.595 12.217 11.047 10.046 9.184 8.436 7.784 7.212 6.707 6.260 5.862 5.508 4.907 4.803 4.702 4.606 4.514 4.425 4.341 4.259 4.181 4.106 4.034 3.964 3.897 3.833 3.771 3.710 3.652 3.596 3.541 3.488 3.437 19.663 17.335 15.376 13.737 12.354 11.181 10.177 9.313 8.565 7.913 7.342 6.840 6.396 6.002 5.651 5.059 4.955 4.856 4.761 4.670 4.583 4.500 4.420 4.343 4.269 4.198 4.130 4.064 4.000 3.939 3.880 3.823 3.767 3.714 3.661 3.611 19.790 17.473 15.514 13.871 12.485 11.308 10.302 9.436 8.686 8.034 7.464 6.963 6.521 6.130 5.783 5.197 5.095 4.998 4.904 4.815 4.729 4.647 4.568 4.493 4.420 4.350 4.283 4.219 4.157 4.097 4.039 3.983 3.929 3.877 3.826 3.777 19.910 17.606 15.647 14.000 12.611 11.430 10.421 9.552 8.801 8.148 7.578 7.078 6.638 6.250 5.905 5.325 5.225 5.128 5.036 4.948 4.863 4.782 4.705 4.631 4.559 4.491 4.425 4.362 4.301 4.243 4.186 4.132 4.079 4.029 3.979 3.932 99999.999 17.734 15.774 14.125 12.732 11.548 10.535 9.664 8.911 8.257 7.687 7.187 6.748 6.361 6.019 5.444 5.344 5.249 5.158 5.071 4.988 4.908 4.832 4.759 4.688 4.621 4.557 4.495 4.435 4.378 4.323 4.270 4.218 4.169 4.121 4.074 HoO2H,aq HoO2H(AQ) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 3.000 Ref: Shock07 3 -3.000 1 2.000 2 1.000 61 28.122 24.538 21.679 19.355 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.122 24.538 21.679 19.355 17.437 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.123 24.538 21.680 19.356 17.438 15.836 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.124 24.540 21.681 19.357 17.439 15.837 14.483 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.126 24.542 21.683 19.359 17.441 15.839 14.485 13.327 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.129 24.545 21.686 19.362 17.444 15.842 14.488 13.331 12.330 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.134 24.550 21.691 19.367 17.449 15.847 14.493 13.336 12.336 11.459 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.140 24.557 21.698 19.374 17.456 15.854 14.501 13.344 12.344 11.468 10.685 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.149 24.566 21.707 19.383 17.465 15.864 14.510 13.354 12.355 11.481 10.700 9.984 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.161 24.579 21.720 19.395 17.478 15.876 14.523 13.368 12.370 11.497 10.719 10.008 9.349 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.176 24.595 21.736 19.412 17.494 15.892 14.540 13.386 12.389 11.519 10.744 10.039 9.386 8.797 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.196 24.616 21.757 19.432 17.514 15.913 14.561 13.408 12.413 11.545 10.775 10.078 9.434 8.837 8.400 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.211 24.631 21.773 19.448 17.530 15.929 14.578 13.425 12.432 11.566 10.799 10.107 9.471 8.877 8.324 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.232 24.654 21.795 19.470 17.552 15.951 14.601 13.449 12.457 11.594 10.832 10.148 9.523 8.940 8.346 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.252 24.676 21.817 19.492 17.574 15.973 14.623 13.473 12.483 11.622 10.864 10.188 9.574 9.005 8.416 12.408 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.272 24.697 21.839 19.513 17.595 15.995 14.645 13.496 12.507 11.649 10.895 10.225 9.623 9.068 8.502 9.787 10.935 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.292 24.718 21.860 19.534 17.616 16.016 14.667 13.518 12.531 11.675 10.925 10.262 9.669 9.129 8.590 9.161 9.583 10.317 11.366 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.311 24.739 21.881 19.555 17.636 16.036 14.688 13.540 12.554 11.700 10.954 10.296 9.712 9.187 8.675 8.888 9.080 9.417 9.941 10.641 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.330 24.759 21.901 19.575 17.657 16.056 14.708 13.562 12.577 11.725 10.982 10.329 9.753 9.241 8.755 8.742 8.829 8.999 9.274 9.671 10.177 10.735 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.349 24.780 21.921 19.595 17.676 16.076 14.729 13.583 12.600 11.749 11.009 10.361 9.792 9.290 8.828 8.657 8.687 8.770 8.920 9.148 9.460 9.846 10.273 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.367 24.799 21.941 19.615 17.696 16.096 14.749 13.603 12.622 11.773 11.035 10.391 9.828 9.336 8.893 8.606 8.600 8.633 8.711 8.843 9.035 9.287 9.592 9.931 10.276 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.384 24.818 21.961 19.634 17.715 16.115 14.768 13.624 12.643 11.796 11.060 10.419 9.861 9.377 8.951 8.575 8.547 8.547 8.580 8.653 8.769 8.932 9.141 9.390 9.665 9.953 10.238 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.402 24.837 21.980 19.653 17.734 16.134 14.787 13.644 12.664 11.818 11.085 10.447 9.893 9.415 9.001 8.559 8.514 8.492 8.495 8.529 8.596 8.699 8.839 9.015 9.222 9.453 9.698 9.947 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.419 24.856 21.999 19.672 17.752 16.153 14.806 13.663 12.685 11.840 11.109 10.473 9.922 9.448 9.043 8.553 8.495 8.457 8.440 8.446 8.479 8.540 8.632 8.754 8.905 9.081 9.279 9.490 9.711 9.936 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.436 24.875 22.017 19.690 17.771 16.171 14.825 13.682 12.705 11.862 11.132 10.498 9.950 9.479 9.080 8.553 8.486 8.436 8.404 8.391 8.399 8.431 8.487 8.569 8.676 8.808 8.961 9.133 9.319 9.516 9.722 99999.999 99999.999 99999.999 99999.999 99999.999 28.452 24.893 22.036 19.708 17.789 16.189 14.843 13.701 12.724 11.883 11.154 10.522 9.976 9.507 9.111 8.558 8.484 8.425 8.381 8.354 8.345 8.355 8.385 8.437 8.510 8.605 8.721 8.857 9.008 9.175 9.353 9.542 9.741 99999.999 99999.999 99999.999 28.468 24.910 22.054 19.726 17.806 16.207 14.861 13.720 12.744 11.903 11.176 10.546 10.000 9.533 9.138 8.567 8.488 8.421 8.369 8.331 8.308 8.301 8.312 8.341 8.389 8.456 8.541 8.645 8.766 8.902 9.052 9.215 9.389 9.574 99999.999 99999.999 28.484 24.928 22.071 19.744 17.824 16.224 14.879 13.738 12.763 11.923 11.197 10.568 10.024 9.557 9.162 8.578 8.495 8.423 8.364 8.317 8.284 8.265 8.260 8.272 8.300 8.344 8.405 8.483 8.577 8.686 8.810 8.947 9.096 9.257 9.430 9.615 28.499 24.945 22.089 19.761 17.841 16.241 14.896 13.756 12.781 11.943 11.218 10.590 10.047 9.580 9.184 8.592 8.505 8.429 8.364 8.310 8.269 8.240 8.224 8.222 8.234 8.261 8.302 8.359 8.430 8.516 8.615 8.729 8.855 8.993 9.143 9.304 28.640 25.104 22.251 19.922 18.000 16.400 15.056 13.920 12.952 12.122 11.408 10.790 10.256 9.795 9.399 8.776 8.675 8.582 8.496 8.417 8.344 8.278 8.219 8.166 8.118 8.077 8.042 8.014 7.991 7.974 7.964 7.959 7.961 7.969 7.983 8.003 28.759 25.243 22.393 20.063 18.141 16.539 15.196 14.062 13.098 12.275 11.568 10.959 10.434 9.980 9.590 8.971 8.869 8.774 8.685 8.602 8.525 8.453 8.387 8.325 8.268 8.215 8.167 8.123 8.082 8.046 8.013 7.984 7.958 7.936 7.916 7.900 28.861 25.366 22.521 20.191 18.267 16.664 15.321 14.188 13.227 12.408 11.707 11.105 10.587 10.142 9.758 9.149 9.049 8.955 8.867 8.785 8.708 8.637 8.570 8.507 8.449 8.395 8.345 8.298 8.255 8.215 8.178 8.144 8.112 8.083 8.057 8.032 28.949 25.476 22.636 20.307 18.381 16.778 15.434 14.302 13.342 12.526 11.830 11.234 10.722 10.283 9.906 9.309 9.211 9.119 9.033 8.953 8.878 8.808 8.743 8.682 8.625 8.572 8.523 8.477 8.435 8.395 8.359 8.325 8.293 8.264 8.237 8.212 29.027 25.577 22.742 20.413 18.487 16.882 15.538 14.405 13.447 12.633 11.940 11.348 10.842 10.408 10.038 9.452 9.356 9.266 9.183 9.104 9.031 8.963 8.900 8.841 8.786 8.735 8.688 8.644 8.604 8.566 8.531 8.499 8.469 8.441 8.416 8.392 29.096 25.669 22.840 20.512 18.585 16.979 15.634 14.501 13.543 12.731 12.040 11.451 10.949 10.521 10.155 9.580 9.486 9.399 9.317 9.241 9.170 9.104 9.042 8.985 8.933 8.884 8.839 8.797 8.758 8.722 8.690 8.660 8.632 8.606 8.583 8.562 29.159 25.755 22.931 20.604 18.677 17.070 15.724 14.590 13.632 12.821 12.132 11.546 11.047 10.622 10.261 9.695 9.603 9.518 9.438 9.364 9.295 9.231 9.171 9.116 9.065 9.018 8.975 8.935 8.898 8.865 8.834 8.806 8.780 8.757 8.735 8.716 99999.999 25.837 23.018 20.691 18.763 17.155 15.808 14.674 13.716 12.905 12.217 11.633 11.136 10.715 10.357 9.800 9.710 9.626 9.548 9.475 9.408 9.345 9.288 9.234 9.185 9.140 9.098 9.060 9.025 8.994 8.965 8.938 8.914 8.893 8.874 8.856 HoO2- HoO2- P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 4.000 Ref: Shock07 3 -4.000 1 2.000 2 1.000 61 37.654 33.480 30.095 27.301 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.654 33.480 30.095 27.301 24.965 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.654 33.481 30.096 27.302 24.965 22.990 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.655 33.482 30.097 27.303 24.966 22.991 21.305 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.657 33.484 30.098 27.304 24.968 22.993 21.307 19.856 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.660 33.487 30.101 27.307 24.971 22.995 21.309 19.859 18.602 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.664 33.491 30.106 27.311 24.975 22.999 21.313 19.862 18.606 17.511 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.669 33.497 30.112 27.317 24.981 23.005 21.319 19.868 18.612 17.517 16.557 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.677 33.506 30.120 27.325 24.988 23.013 21.326 19.876 18.619 17.524 16.564 15.722 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.688 33.517 30.131 27.336 24.999 23.023 21.337 19.886 18.629 17.534 16.575 15.732 15.010 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.701 33.531 30.146 27.350 25.013 23.036 21.350 19.899 18.642 17.547 16.588 15.745 15.018 14.466 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.718 33.550 30.164 27.368 25.030 23.053 21.366 19.915 18.659 17.564 16.605 15.764 15.032 14.439 14.249 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.732 33.564 30.178 27.382 25.043 23.066 21.379 19.928 18.671 17.577 16.619 15.778 15.045 14.436 14.046 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.750 33.584 30.198 27.401 25.062 23.084 21.397 19.946 18.689 17.595 16.638 15.798 15.066 14.444 13.945 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.768 33.604 30.217 27.420 25.080 23.102 21.414 19.963 18.707 17.613 16.656 15.819 15.088 14.462 13.923 19.381 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.786 33.623 30.236 27.439 25.098 23.120 21.432 19.980 18.724 17.630 16.674 15.838 15.110 14.484 13.933 15.681 17.346 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.803 33.642 30.255 27.457 25.116 23.137 21.449 19.997 18.741 17.647 16.692 15.858 15.132 14.508 13.958 14.752 15.393 16.492 18.119 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.820 33.660 30.274 27.475 25.133 23.154 21.465 20.014 18.757 17.664 16.710 15.877 15.154 14.533 13.988 14.310 14.626 15.153 15.962 17.071 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.837 33.678 30.292 27.493 25.150 23.170 21.482 20.030 18.773 17.680 16.726 15.895 15.174 14.556 14.020 14.047 14.213 14.500 14.942 15.574 16.394 17.347 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.853 33.696 30.310 27.510 25.167 23.187 21.498 20.046 18.789 17.696 16.743 15.912 15.193 14.578 14.050 13.872 13.954 14.114 14.373 14.751 15.262 15.903 16.639 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.869 33.714 30.327 27.527 25.184 23.203 21.513 20.061 18.804 17.712 16.759 15.929 15.211 14.598 14.077 13.749 13.777 13.861 14.014 14.248 14.574 14.999 15.517 16.107 16.736 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.885 33.731 30.344 27.544 25.200 23.219 21.529 20.076 18.820 17.727 16.774 15.945 15.228 14.616 14.100 13.657 13.649 13.683 13.768 13.912 14.124 14.409 14.769 15.199 15.685 16.206 16.742 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.900 33.748 30.361 27.560 25.216 23.234 21.544 20.091 18.835 17.742 16.789 15.960 15.243 14.632 14.120 13.588 13.553 13.552 13.591 13.676 13.811 14.002 14.253 14.563 14.927 15.336 15.777 16.235 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.915 33.765 30.378 27.576 25.232 23.249 21.559 20.106 18.849 17.757 16.804 15.975 15.258 14.646 14.135 13.534 13.479 13.453 13.459 13.501 13.583 13.710 13.884 14.106 14.376 14.690 15.040 15.419 15.816 16.224 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.930 33.781 30.394 27.592 25.247 23.264 21.574 20.121 18.864 17.771 16.819 15.989 15.271 14.659 14.146 13.492 13.422 13.376 13.357 13.368 13.412 13.492 13.610 13.768 13.966 14.204 14.478 14.782 15.112 15.460 15.821 99999.999 99999.999 99999.999 99999.999 99999.999 37.944 33.797 30.411 27.608 25.262 23.279 21.588 20.135 18.878 17.785 16.833 16.003 15.284 14.669 14.155 13.459 13.376 13.315 13.277 13.265 13.280 13.324 13.401 13.511 13.655 13.833 14.044 14.286 14.554 14.844 15.152 15.474 15.806 99999.999 99999.999 99999.999 37.959 33.813 30.426 27.624 25.277 23.294 21.602 20.149 18.892 17.799 16.846 16.016 15.296 14.679 14.161 13.433 13.340 13.266 13.213 13.183 13.175 13.193 13.238 13.311 13.413 13.545 13.706 13.895 14.110 14.348 14.607 14.881 15.170 15.470 99999.999 99999.999 37.973 33.829 30.442 27.639 25.292 23.308 21.616 20.163 18.906 17.813 16.860 16.029 15.308 14.688 14.166 13.413 13.311 13.228 13.162 13.117 13.092 13.089 13.109 13.153 13.223 13.318 13.439 13.585 13.755 13.948 14.162 14.393 14.640 14.900 15.172 15.454 37.986 33.844 30.458 27.654 25.307 23.322 21.630 20.176 18.919 17.826 16.873 16.042 15.319 14.697 14.170 13.397 13.288 13.196 13.121 13.063 13.024 13.004 13.005 13.026 13.070 13.136 13.224 13.336 13.469 13.623 13.797 13.990 14.198 14.421 14.657 14.904 38.111 33.986 30.601 27.794 25.442 23.454 21.758 20.302 19.044 17.950 16.996 16.161 15.431 14.794 14.242 13.363 13.220 13.088 12.966 12.855 12.753 12.661 12.579 12.506 12.443 12.389 12.345 12.310 12.284 12.267 12.259 12.261 12.271 12.289 12.316 12.351 38.216 34.110 30.727 27.918 25.562 23.569 21.870 20.412 19.152 18.058 17.103 16.268 15.535 14.893 14.331 13.415 13.261 13.117 12.981 12.853 12.734 12.622 12.518 12.421 12.331 12.247 12.171 12.100 12.036 11.977 11.924 11.877 11.834 11.797 11.765 11.738 38.307 34.221 30.841 28.029 25.670 23.674 21.971 20.510 19.248 18.153 17.198 16.363 15.629 14.985 14.419 13.487 13.329 13.180 13.038 12.904 12.777 12.658 12.545 12.439 12.339 12.244 12.156 12.072 11.994 11.921 11.852 11.788 11.728 11.672 11.619 11.571 38.387 34.320 30.944 28.131 25.769 23.769 22.063 20.599 19.336 18.239 17.284 16.448 15.714 15.069 14.502 13.563 13.403 13.251 13.107 12.970 12.840 12.717 12.600 12.490 12.385 12.286 12.192 12.103 12.019 11.939 11.864 11.793 11.726 11.662 11.602 11.545 38.457 34.411 31.038 28.225 25.860 23.857 22.148 20.681 19.416 18.318 17.361 16.525 15.792 15.147 14.579 13.637 13.476 13.323 13.177 13.039 12.907 12.783 12.664 12.551 12.445 12.343 12.247 12.155 12.068 11.986 11.908 11.833 11.763 11.696 11.632 11.571 38.520 34.495 31.127 28.312 25.945 23.938 22.227 20.758 19.490 18.390 17.433 16.596 15.862 15.217 14.649 13.707 13.545 13.392 13.245 13.106 12.974 12.849 12.729 12.616 12.508 12.405 12.307 12.215 12.127 12.043 11.963 11.887 11.815 11.747 11.681 11.619 38.577 34.574 31.209 28.394 26.024 24.016 22.301 20.829 19.559 18.458 17.499 16.662 15.928 15.283 14.715 13.772 13.610 13.457 13.310 13.171 13.038 12.912 12.792 12.678 12.570 12.467 12.369 12.275 12.187 12.102 12.022 11.945 11.873 11.803 11.737 11.675 99999.999 34.648 31.288 28.472 26.100 24.089 22.372 20.897 19.625 18.522 17.561 16.723 15.988 15.343 14.775 13.833 13.671 13.517 13.371 13.231 13.099 12.973 12.853 12.738 12.630 12.526 12.428 12.334 12.245 12.161 12.080 12.003 11.930 11.861 11.795 11.731 HoNO3+2 HoNO3+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 6 -1.000 1 -1.000 2 -1.000 6 1.000 61 1.000 32 1.000 4 93.219 85.243 78.345 72.337 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.219 85.243 78.345 72.337 67.057 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.220 85.244 78.345 72.338 67.058 62.373 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.222 85.246 78.347 72.339 67.059 62.374 58.180 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.225 85.249 78.350 72.342 67.062 62.377 58.183 54.396 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.231 85.253 78.354 72.346 67.066 62.381 58.187 54.400 50.952 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.239 85.260 78.361 72.352 67.072 62.387 58.193 54.407 50.960 47.793 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.250 85.270 78.370 72.361 67.080 62.396 58.202 54.417 50.970 47.805 44.866 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.265 85.284 78.382 72.373 67.092 62.408 58.215 54.430 50.984 47.821 44.885 42.125 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.286 85.302 78.399 72.390 67.108 62.424 58.231 54.447 51.003 47.842 44.911 42.158 39.528 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.313 85.326 78.421 72.411 67.129 62.444 58.252 54.469 51.028 47.870 44.944 42.200 39.587 37.033 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.347 85.356 78.449 72.437 67.155 62.470 58.279 54.498 51.059 47.904 44.985 42.252 39.658 37.139 34.548 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.373 85.379 78.471 72.458 67.175 62.491 58.300 54.520 51.082 47.931 45.016 42.291 39.710 37.216 34.675 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.410 85.412 78.501 72.487 67.203 62.519 58.329 54.550 51.115 47.968 45.059 42.345 39.782 37.318 34.841 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.447 85.444 78.531 72.516 67.232 62.547 58.358 54.581 51.148 48.004 45.101 42.396 39.849 37.412 34.990 30.979 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.483 85.476 78.561 72.544 67.259 62.575 58.386 54.610 51.179 48.039 45.141 42.445 39.912 37.500 35.125 31.223 30.349 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.518 85.507 78.590 72.572 67.286 62.602 58.414 54.639 51.210 48.073 45.180 42.492 39.972 37.580 35.248 31.338 30.528 29.686 28.720 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.553 85.538 78.618 72.599 67.313 62.629 58.441 54.667 51.241 48.106 45.218 42.537 40.028 37.656 35.360 31.438 30.648 29.854 29.036 28.152 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.587 85.569 78.647 72.626 67.339 62.655 58.468 54.695 51.270 48.138 45.254 42.580 40.081 37.725 35.461 31.529 30.750 29.976 29.198 28.403 27.569 26.667 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.621 85.599 78.675 72.652 67.365 62.681 58.494 54.723 51.299 48.170 45.289 42.621 40.131 37.790 35.553 31.613 30.842 30.080 29.321 28.560 27.788 26.991 26.154 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.654 85.628 78.702 72.679 67.391 62.706 58.520 54.750 51.328 48.201 45.324 42.661 40.179 37.850 35.636 31.690 30.927 30.173 29.427 28.684 27.941 27.190 26.424 25.635 24.819 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.686 85.657 78.729 72.704 67.416 62.731 58.546 54.776 51.356 48.231 45.357 42.699 40.224 37.906 35.711 31.762 31.005 30.259 29.521 28.791 28.064 27.338 26.608 25.870 25.119 24.354 23.575 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.719 85.686 78.756 72.730 67.441 62.756 58.571 54.802 51.383 48.260 45.390 42.736 40.267 37.958 35.779 31.830 31.078 30.338 29.608 28.886 28.171 27.461 26.752 26.043 25.330 24.611 23.886 23.156 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.750 85.714 78.782 72.755 67.465 62.780 58.595 54.828 51.410 48.289 45.422 42.771 40.308 38.006 35.841 31.895 31.147 30.412 29.688 28.973 28.267 27.568 26.874 26.183 25.493 24.804 24.113 23.422 22.732 22.044 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.781 85.742 78.808 72.780 67.490 62.804 58.620 54.853 51.437 48.318 45.453 42.805 40.347 38.052 35.896 31.956 31.213 30.482 29.763 29.054 28.355 27.664 26.981 26.303 25.629 24.959 24.291 23.626 22.965 22.307 21.656 99999.999 99999.999 99999.999 99999.999 99999.999 93.812 85.769 78.834 72.804 67.514 62.828 58.644 54.878 51.463 48.346 45.483 42.839 40.384 38.094 35.947 32.015 31.275 30.548 29.833 29.130 28.437 27.753 27.077 26.409 25.747 25.090 24.439 23.792 23.150 22.514 21.885 21.265 20.655 99999.999 99999.999 99999.999 93.842 85.797 78.859 72.829 67.537 62.852 58.668 54.902 51.488 48.373 45.512 42.871 40.420 38.135 35.993 32.071 31.334 30.611 29.900 29.201 28.513 27.835 27.166 26.505 25.852 25.206 24.566 23.933 23.306 22.685 22.073 21.469 20.875 20.293 99999.999 99999.999 93.872 85.823 78.884 72.852 67.560 62.875 58.691 54.926 51.513 48.400 45.541 42.903 40.455 38.173 36.036 32.124 31.390 30.671 29.964 29.269 28.585 27.912 27.249 26.594 25.948 25.310 24.679 24.056 23.440 22.832 22.231 21.640 21.058 20.487 19.929 19.384 93.902 85.850 78.909 72.876 67.583 62.897 58.714 54.950 51.538 48.426 45.569 42.933 40.488 38.210 36.077 32.176 31.445 30.728 30.024 29.333 28.653 27.985 27.326 26.677 26.037 25.405 24.782 24.167 23.559 22.960 22.369 21.787 21.215 20.654 20.104 19.566 94.176 86.097 79.139 73.097 67.798 63.110 58.928 55.169 51.766 48.666 45.826 43.210 40.788 38.536 36.434 32.611 31.899 31.202 30.521 29.853 29.199 28.557 27.928 27.310 26.703 26.107 25.521 24.945 24.379 23.822 23.274 22.735 22.205 21.684 21.172 20.668 94.417 86.317 79.346 73.295 67.991 63.301 59.119 55.363 51.966 48.875 46.046 43.443 41.038 38.805 36.724 32.950 32.249 31.565 30.896 30.241 29.601 28.974 28.360 27.758 27.168 26.589 26.021 25.463 24.916 24.378 23.849 23.329 22.818 22.315 21.821 21.334 94.632 86.515 79.533 73.474 68.165 63.473 59.291 55.536 52.144 49.059 46.238 43.646 41.253 39.034 36.968 33.230 32.538 31.862 31.201 30.556 29.925 29.307 28.703 28.112 27.532 26.964 26.408 25.862 25.326 24.800 24.283 23.776 23.277 22.787 22.305 21.832 94.827 86.696 79.704 73.638 68.325 63.630 59.447 55.694 52.305 49.224 46.410 43.826 41.442 39.234 37.181 33.470 32.783 32.113 31.459 30.820 30.196 29.586 28.989 28.405 27.833 27.273 26.724 26.187 25.659 25.142 24.634 24.136 23.646 23.165 22.693 22.228 95.005 86.861 79.861 73.789 68.472 63.775 59.591 55.839 52.451 49.375 46.566 43.988 41.612 39.412 37.368 33.679 32.997 32.332 31.683 31.049 30.430 29.825 29.234 28.656 28.090 27.536 26.993 26.462 25.940 25.430 24.928 24.437 23.954 23.480 23.014 22.557 95.168 87.014 80.006 73.929 68.608 63.909 59.725 55.973 52.587 49.513 46.708 44.135 41.765 39.572 37.536 33.864 33.186 32.525 31.880 31.251 30.636 30.035 29.448 28.875 28.313 27.764 27.226 26.699 26.183 25.677 25.181 24.695 24.217 23.749 23.288 22.836 95.319 87.157 80.141 74.059 68.736 64.034 59.849 56.098 52.712 49.641 46.838 44.270 41.904 39.717 37.688 34.031 33.356 32.698 32.056 31.430 30.819 30.222 29.639 29.068 28.511 27.965 27.431 26.908 26.396 25.894 25.402 24.920 24.447 23.982 23.526 23.079 99999.999 87.290 80.268 74.182 68.855 64.152 59.966 56.214 52.830 49.759 46.960 44.394 42.033 39.851 37.826 34.182 33.510 32.854 32.215 31.592 30.984 30.389 29.809 29.242 28.687 28.145 27.614 27.094 26.585 26.087 25.598 25.119 24.649 24.188 23.736 23.291 HoH2PO4+2 HoH2PO4+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 3 1.000 1 1.000 27 1.000 61 -9.873 -9.448 -9.292 -9.296 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.873 -9.448 -9.292 -9.296 -9.412 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.873 -9.448 -9.291 -9.295 -9.412 -9.615 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-10.179 -10.483 -11.105 -11.231 -11.357 -11.484 -11.611 -11.738 -11.866 -11.995 -12.124 -12.253 -12.383 -12.513 -12.644 -12.775 -12.907 -13.040 -13.173 -13.306 -13.440 -13.575 -13.711 99999.999 -8.008 -7.816 -7.790 -7.864 -8.003 -8.189 -8.406 -8.647 -8.903 -9.172 -9.450 -9.735 -10.024 -10.318 -10.916 -11.037 -11.158 -11.280 -11.402 -11.524 -11.647 -11.770 -11.893 -12.017 -12.141 -12.266 -12.391 -12.517 -12.643 -12.769 -12.897 -13.024 -13.153 -13.282 -13.411 Er+2 Er(+3) P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 5 -1.125 1 -0.125 4 1.000 62 0.125 6 0.500 2 60.090 54.276 49.344 45.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.090 54.276 49.344 45.112 41.438 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.091 54.276 49.345 45.112 41.438 38.216 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.091 54.277 49.345 45.113 41.439 38.217 35.365 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.093 54.278 49.347 45.114 41.440 38.218 35.366 32.822 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.095 54.280 49.349 45.116 41.442 38.220 35.368 32.824 30.536 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.098 54.283 49.352 45.119 41.445 38.223 35.371 32.827 30.540 28.469 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.102 54.287 49.356 45.123 41.449 38.227 35.376 32.831 30.544 28.474 26.585 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.108 54.294 49.362 45.129 41.455 38.233 35.382 32.837 30.551 28.480 26.592 24.859 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.115 54.302 49.370 45.137 41.462 38.240 35.389 32.845 30.559 28.489 26.602 24.870 23.277 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.126 54.312 49.380 45.147 41.472 38.250 35.399 32.856 30.570 28.501 26.615 24.885 23.292 21.851 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.138 54.325 49.393 45.160 41.485 38.263 35.412 32.869 30.584 28.516 26.632 24.904 23.313 21.857 20.643 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.148 54.336 49.404 45.170 41.495 38.273 35.422 32.879 30.594 28.527 26.645 24.919 23.330 21.869 20.559 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.162 54.350 49.418 45.184 41.509 38.287 35.436 32.894 30.610 28.543 26.662 24.940 23.355 21.893 20.536 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.176 54.365 49.432 45.198 41.523 38.301 35.450 32.908 30.624 28.559 26.680 24.960 23.379 21.920 20.552 21.652 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.190 54.379 49.446 45.212 41.536 38.314 35.464 32.922 30.639 28.574 26.697 24.980 23.403 21.949 20.583 19.649 20.190 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.204 54.393 49.460 45.226 41.550 38.327 35.477 32.936 30.653 28.590 26.713 24.999 23.425 21.977 20.619 19.167 19.151 19.388 19.913 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.217 54.407 49.474 45.239 41.563 38.341 35.490 32.949 30.667 28.604 26.729 25.017 23.447 22.004 20.657 18.949 18.758 18.687 18.774 19.025 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.230 54.421 49.488 45.252 41.576 38.354 35.504 32.963 30.681 28.619 26.745 25.035 23.468 22.030 20.693 18.825 18.555 18.356 18.247 18.245 18.348 18.524 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.243 54.434 49.501 45.266 41.589 38.366 35.517 32.976 30.695 28.633 26.760 25.052 23.488 22.054 20.727 18.747 18.433 18.168 17.962 17.825 17.765 17.779 17.847 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.256 54.448 49.515 45.279 41.602 38.379 35.529 32.989 30.708 28.647 26.775 25.068 23.507 22.076 20.757 18.696 18.355 18.050 17.788 17.576 17.419 17.320 17.275 17.272 17.295 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.269 54.461 49.528 45.292 41.615 38.392 35.542 33.002 30.721 28.661 26.790 25.084 23.525 22.097 20.784 18.662 18.302 17.971 17.675 17.416 17.198 17.026 16.899 16.814 16.764 16.737 16.723 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.281 54.474 49.541 45.304 41.627 38.404 35.554 33.014 30.734 28.674 26.804 25.099 23.541 22.115 20.808 18.638 18.265 17.917 17.597 17.307 17.050 16.829 16.645 16.498 16.385 16.301 16.240 16.193 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.294 54.487 49.554 45.317 41.640 38.417 35.567 33.027 30.747 28.688 26.818 25.114 23.557 22.132 20.828 18.623 18.239 17.878 17.541 17.230 16.946 16.692 16.468 16.276 16.114 15.981 15.873 15.785 15.713 15.653 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.306 54.500 49.567 45.330 41.652 38.429 35.579 33.039 30.760 28.701 26.832 25.128 23.572 22.148 20.845 18.613 18.222 17.851 17.502 17.175 16.872 16.593 16.341 16.116 15.917 15.745 15.597 15.472 15.365 15.273 15.195 99999.999 99999.999 99999.999 99999.999 99999.999 60.318 54.513 49.579 45.342 41.664 38.441 35.591 33.051 30.772 28.714 26.845 25.142 23.586 22.162 20.860 18.607 18.210 17.832 17.473 17.135 16.817 16.521 16.248 15.998 15.771 15.569 15.389 15.230 15.091 14.970 14.864 14.771 14.691 99999.999 99999.999 99999.999 60.330 54.526 49.592 45.354 41.676 38.453 35.603 33.063 30.784 28.726 26.858 25.156 23.600 22.176 20.872 18.604 18.203 17.819 17.453 17.105 16.776 16.467 16.178 15.909 15.662 15.435 15.229 15.044 14.878 14.729 14.597 14.479 14.375 14.283 99999.999 99999.999 60.342 54.538 49.604 45.367 41.688 38.464 35.615 33.075 30.796 28.739 26.871 25.169 23.613 22.188 20.884 18.604 18.199 17.810 17.438 17.084 16.746 16.426 16.125 15.842 15.578 15.333 15.106 14.899 14.710 14.538 14.382 14.241 14.115 14.001 13.900 13.811 60.354 54.551 49.617 45.379 41.700 38.476 35.626 33.087 30.808 28.751 26.884 25.182 23.626 22.200 20.894 18.606 18.198 17.805 17.429 17.068 16.724 16.396 16.085 15.790 15.513 15.253 15.011 14.785 14.577 14.385 14.209 14.048 13.901 13.767 13.646 13.537 60.466 54.670 49.735 45.495 41.813 38.588 35.737 33.198 30.921 28.867 27.003 25.303 23.748 22.321 21.007 18.680 18.257 17.847 17.450 17.065 16.693 16.331 15.982 15.643 15.314 14.997 14.689 14.392 14.104 13.826 13.558 13.299 13.049 12.808 12.576 12.353 60.568 54.780 49.845 45.602 41.919 38.691 35.839 33.300 31.024 28.971 27.109 25.412 23.859 22.433 21.119 18.782 18.355 17.942 17.540 17.149 16.770 16.401 16.043 15.694 15.355 15.024 14.703 14.390 14.086 13.789 13.500 13.219 12.944 12.677 12.417 12.163 60.663 54.884 49.949 45.704 42.018 38.788 35.934 33.394 31.118 29.066 27.206 25.511 23.960 22.536 21.223 18.885 18.458 18.043 17.640 17.248 16.866 16.495 16.134 15.783 15.440 15.106 14.781 14.464 14.154 13.852 13.557 13.269 12.988 12.713 12.444 12.181 60.753 54.982 50.047 45.801 42.112 38.879 36.024 33.483 31.206 29.154 27.295 25.602 24.053 22.630 21.319 18.983 18.556 18.141 17.738 17.345 16.964 16.592 16.231 15.878 15.535 15.200 14.874 14.555 14.244 13.941 13.644 13.354 13.071 12.793 12.522 12.257 60.837 55.076 50.142 45.893 42.202 38.967 36.109 33.567 31.289 29.238 27.379 25.686 24.139 22.718 21.408 19.075 18.648 18.234 17.831 17.439 17.057 16.686 16.324 15.972 15.629 15.294 14.967 14.649 14.337 14.033 13.737 13.446 13.163 12.885 12.613 12.347 60.918 55.166 50.232 45.982 42.288 39.051 36.192 33.647 31.369 29.316 27.458 25.766 24.219 22.799 21.491 19.161 18.734 18.320 17.918 17.526 17.145 16.774 16.413 16.061 15.718 15.384 15.057 14.739 14.428 14.124 13.828 13.538 13.254 12.977 12.705 12.440 60.996 55.254 50.320 46.068 42.372 39.133 36.271 33.725 31.445 29.392 27.533 25.841 24.295 22.876 21.569 19.241 18.815 18.402 18.000 17.609 17.228 16.857 16.497 16.145 15.803 15.469 15.143 14.825 14.514 14.211 13.915 13.625 13.342 13.065 12.794 12.529 99999.999 55.339 50.406 46.151 42.453 39.211 36.348 33.800 31.518 29.464 27.604 25.913 24.367 22.948 21.642 19.316 18.891 18.478 18.076 17.686 17.306 16.936 16.575 16.224 15.882 15.549 15.223 14.906 14.596 14.293 13.997 13.708 13.425 13.149 12.878 12.614 Er+4 Er(+4) P-T:All Charge = 4. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 5 1.125 1 0.125 4 1.000 62 -0.125 6 -0.500 2 100.076 92.399 85.839 80.175 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.076 92.399 85.839 80.175 75.235 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.076 92.399 85.839 80.174 75.235 70.889 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.076 92.399 85.839 80.174 75.234 70.889 67.038 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.076 92.399 85.839 80.174 75.234 70.889 67.038 63.602 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.075 92.399 85.839 80.174 75.234 70.888 67.037 63.601 60.517 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.075 92.399 85.838 80.173 75.233 70.888 67.036 63.600 60.516 57.735 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.075 92.398 85.838 80.173 75.233 70.887 67.035 63.598 60.514 57.733 55.215 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.075 92.398 85.837 80.172 75.231 70.885 67.033 63.596 60.511 57.729 55.210 52.922 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.075 92.397 85.836 80.171 75.230 70.884 67.031 63.593 60.508 57.725 55.205 52.915 50.817 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.075 92.397 85.835 80.169 75.228 70.881 67.028 63.590 60.503 57.719 55.198 52.905 50.808 48.840 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.075 92.396 85.834 80.168 75.226 70.878 67.024 63.585 60.498 57.712 55.188 52.893 50.795 48.848 46.867 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.075 92.395 85.833 80.166 75.224 70.876 67.022 63.582 60.493 57.707 55.181 52.884 50.784 48.844 46.988 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.075 92.394 85.832 80.165 75.222 70.873 67.018 63.577 60.487 57.699 55.172 52.871 50.767 48.830 47.037 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.075 92.394 85.830 80.163 75.220 70.870 67.014 63.572 60.482 57.692 55.162 52.858 50.750 48.811 47.035 39.389 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.075 92.393 85.829 80.161 75.217 70.867 67.010 63.567 60.476 57.685 55.153 52.846 50.734 48.789 47.014 41.983 40.136 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.075 92.392 85.828 80.159 75.215 70.865 67.007 63.563 60.471 57.678 55.145 52.835 50.718 48.768 46.985 42.605 41.480 40.053 38.263 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.076 92.392 85.827 80.158 75.213 70.862 67.003 63.559 60.465 57.672 55.136 52.824 50.703 48.748 46.954 42.894 41.991 40.964 39.760 38.361 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.076 92.391 85.826 80.156 75.211 70.859 67.000 63.555 60.460 57.665 55.128 52.813 50.689 48.728 46.924 43.062 42.260 41.397 40.448 39.387 38.210 36.951 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.076 92.391 85.825 80.155 75.209 70.857 66.997 63.551 60.455 57.659 55.121 52.803 50.676 48.711 46.896 43.172 42.425 41.647 40.823 39.938 38.978 37.945 36.858 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.077 92.390 85.824 80.153 75.207 70.855 66.994 63.547 60.450 57.654 55.114 52.794 50.664 48.695 46.871 43.248 42.536 41.808 41.056 40.268 39.435 38.553 37.622 36.654 35.669 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.077 92.390 85.823 80.152 75.206 70.852 66.991 63.543 60.446 57.648 55.107 52.786 50.653 48.681 46.851 43.303 42.615 41.919 41.211 40.483 39.729 38.942 38.121 37.267 36.387 35.493 34.600 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.078 92.389 85.822 80.151 75.204 70.850 66.988 63.540 60.441 57.642 55.100 52.778 50.643 48.669 46.834 43.344 42.672 42.000 41.322 40.633 39.930 39.206 38.459 37.688 36.894 36.083 35.260 34.435 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.078 92.389 85.821 80.150 75.202 70.848 66.985 63.536 60.437 57.637 55.094 52.770 50.635 48.659 46.820 43.374 42.716 42.059 41.403 40.742 40.073 39.393 38.698 37.986 37.258 36.513 35.756 34.990 34.222 33.455 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.079 92.389 85.820 80.148 75.201 70.846 66.983 63.533 60.433 57.632 55.087 52.763 50.627 48.651 46.810 43.398 42.749 42.105 41.464 40.823 40.179 39.529 38.872 38.204 37.524 36.831 36.128 35.416 34.697 33.976 33.254 99999.999 99999.999 99999.999 99999.999 99999.999 100.080 92.389 85.820 80.147 75.199 70.844 66.980 63.529 60.429 57.627 55.082 52.756 50.620 48.643 46.802 43.416 42.774 42.140 41.510 40.884 40.259 39.633 39.002 38.366 37.722 37.071 36.410 35.742 35.068 34.389 33.708 33.026 32.344 99999.999 99999.999 99999.999 100.080 92.388 85.819 80.146 75.197 70.842 66.977 63.526 60.425 57.622 55.076 52.750 50.613 48.637 46.797 43.429 42.793 42.167 41.547 40.933 40.322 39.712 39.102 38.490 37.874 37.254 36.627 35.996 35.359 34.717 34.072 33.426 32.778 32.130 99999.999 99999.999 100.081 92.388 85.818 80.145 75.196 70.840 66.975 63.523 60.421 57.617 55.071 52.744 50.607 48.631 46.793 43.439 42.809 42.188 41.576 40.970 40.370 39.774 39.180 38.587 37.992 37.396 36.797 36.194 35.588 34.978 34.365 33.751 33.135 32.518 31.900 31.283 100.082 92.388 85.818 80.144 75.195 70.838 66.973 63.520 60.417 57.613 55.065 52.738 50.601 48.626 46.790 43.447 42.820 42.204 41.598 41.000 40.409 39.823 39.242 38.663 38.086 37.508 36.930 36.351 35.770 35.187 34.602 34.015 33.427 32.838 32.249 31.659 100.093 92.389 85.814 80.136 75.183 70.822 66.952 63.494 60.384 57.573 55.018 52.686 50.545 48.571 46.743 43.449 42.841 42.247 41.666 41.099 40.544 40.001 39.470 38.948 38.436 37.934 37.440 36.955 36.476 36.005 35.541 35.083 34.630 34.183 33.741 33.304 100.107 92.394 85.813 80.131 75.174 70.810 66.936 63.473 60.359 57.542 54.981 52.642 50.497 48.520 46.691 43.407 42.802 42.213 41.639 41.079 40.532 39.999 39.478 38.969 38.472 37.985 37.509 37.043 36.587 36.140 35.702 35.273 34.852 34.439 34.033 33.635 100.124 92.400 85.814 80.129 75.169 70.801 66.924 63.457 60.338 57.517 54.951 52.607 50.456 48.475 46.642 43.357 42.753 42.165 41.592 41.034 40.489 39.959 39.441 38.935 38.442 37.960 37.489 37.028 36.578 36.139 35.708 35.287 34.875 34.472 34.077 33.691 100.143 92.409 85.817 80.128 75.165 70.795 66.914 63.445 60.322 57.496 54.926 52.577 50.422 48.436 46.600 43.309 42.704 42.116 41.543 40.984 40.440 39.910 39.392 38.887 38.395 37.914 37.444 36.985 36.537 36.099 35.671 35.252 34.843 34.443 34.051 33.668 100.164 92.419 85.822 80.129 75.163 70.790 66.907 63.435 60.309 57.480 54.905 52.553 50.393 48.403 46.563 43.265 42.660 42.070 41.496 40.937 40.392 39.861 39.343 38.838 38.345 37.864 37.394 36.935 36.487 36.049 35.621 35.203 34.794 34.394 34.003 33.620 100.186 92.430 85.827 80.131 75.162 70.787 66.902 63.427 60.298 57.466 54.889 52.532 50.369 48.375 46.531 43.227 42.620 42.029 41.454 40.894 40.348 39.816 39.297 38.791 38.297 37.815 37.345 36.885 36.436 35.998 35.569 35.151 34.741 34.341 33.949 33.566 100.208 92.441 85.834 80.135 75.163 70.785 66.897 63.420 60.290 57.455 54.874 52.515 50.348 48.351 46.503 43.192 42.584 41.992 41.416 40.855 40.308 39.775 39.255 38.748 38.253 37.770 37.299 36.838 36.389 35.949 35.520 35.100 34.690 34.289 33.896 33.512 99999.999 92.454 85.841 80.139 75.165 70.784 66.895 63.415 60.282 57.445 54.862 52.500 50.330 48.330 46.479 43.162 42.553 41.960 41.382 40.820 40.272 39.738 39.217 38.709 38.213 37.729 37.257 36.795 36.345 35.905 35.474 35.054 34.642 34.240 33.847 33.462 ErCO3+ ErCO3+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 3 -1.000 1 1.000 5 1.000 62 2.060 2.186 2.319 2.451 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.060 2.186 2.319 2.451 2.578 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.060 2.186 2.319 2.451 2.578 2.695 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.060 2.186 2.318 2.451 2.578 2.695 2.796 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.059 2.185 2.318 2.451 2.578 2.695 2.796 2.878 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.059 2.185 2.317 2.451 2.578 2.695 2.796 2.879 2.937 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.058 2.184 2.317 2.450 2.578 2.695 2.797 2.880 2.939 2.966 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.057 2.182 2.316 2.449 2.577 2.695 2.798 2.882 2.942 2.971 2.956 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.056 2.181 2.314 2.448 2.576 2.695 2.799 2.884 2.946 2.977 2.966 2.893 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.054 2.178 2.312 2.446 2.575 2.695 2.800 2.887 2.951 2.985 2.979 2.914 2.758 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.052 2.175 2.308 2.443 2.574 2.695 2.801 2.890 2.957 2.995 2.996 2.941 2.804 2.517 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.048 2.170 2.304 2.440 2.572 2.694 2.803 2.894 2.965 3.008 3.015 2.973 2.858 2.618 2.057 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.045 2.167 2.301 2.437 2.570 2.693 2.804 2.897 2.970 3.017 3.030 2.996 2.896 2.686 2.223 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.041 2.161 2.296 2.433 2.567 2.692 2.805 2.901 2.978 3.029 3.049 3.028 2.947 2.773 2.402 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.036 2.155 2.290 2.429 2.564 2.691 2.806 2.905 2.985 3.041 3.068 3.056 2.993 2.850 2.547 0.793 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.031 2.149 2.285 2.424 2.561 2.689 2.806 2.908 2.991 3.051 3.084 3.083 3.035 2.919 2.671 2.055 1.410 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.025 2.143 2.279 2.419 2.557 2.688 2.806 2.910 2.997 3.061 3.100 3.107 3.073 2.980 2.778 2.379 2.091 1.617 0.803 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.019 2.136 2.273 2.414 2.553 2.685 2.806 2.913 3.002 3.070 3.115 3.130 3.108 3.035 2.872 2.568 2.382 2.120 1.734 1.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.013 2.129 2.266 2.409 2.550 2.683 2.806 2.915 3.007 3.079 3.128 3.151 3.140 3.084 2.954 2.704 2.566 2.387 2.146 1.815 1.360 0.754 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.007 2.122 2.260 2.404 2.545 2.680 2.805 2.916 3.011 3.087 3.141 3.170 3.169 3.129 3.027 2.812 2.704 2.568 2.394 2.171 1.880 1.503 1.026 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.000 2.115 2.253 2.398 2.541 2.678 2.804 2.917 3.015 3.094 3.153 3.188 3.196 3.169 3.091 2.902 2.813 2.705 2.571 2.405 2.197 1.937 1.614 1.221 0.759 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.993 2.108 2.246 2.392 2.536 2.675 2.803 2.918 3.019 3.101 3.164 3.204 3.220 3.205 3.147 2.979 2.906 2.817 2.709 2.578 2.419 2.225 1.990 1.708 1.375 0.993 0.566 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.986 2.100 2.239 2.386 2.532 2.671 2.801 2.919 3.022 3.107 3.174 3.220 3.242 3.238 3.197 3.048 2.986 2.911 2.822 2.715 2.587 2.435 2.254 2.040 1.791 1.503 1.180 0.825 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.978 2.092 2.232 2.380 2.527 2.668 2.800 2.919 3.025 3.113 3.183 3.234 3.263 3.267 3.240 3.109 3.056 2.993 2.918 2.828 2.723 2.599 2.454 2.286 2.090 1.867 1.616 1.338 1.037 0.716 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.970 2.084 2.225 2.373 2.522 2.664 2.798 2.920 3.027 3.118 3.192 3.247 3.281 3.293 3.277 3.164 3.119 3.065 3.001 2.926 2.837 2.734 2.615 2.477 2.319 2.140 1.940 1.718 1.476 1.217 0.944 99999.999 99999.999 99999.999 99999.999 99999.999 1.962 2.076 2.217 2.367 2.516 2.661 2.796 2.919 3.029 3.123 3.200 3.259 3.299 3.317 3.311 3.215 3.176 3.130 3.075 3.011 2.935 2.848 2.748 2.633 2.502 2.355 2.191 2.010 1.812 1.600 1.375 1.140 0.898 99999.999 99999.999 99999.999 1.954 2.067 2.209 2.360 2.511 2.657 2.793 2.919 3.031 3.128 3.208 3.271 3.315 3.339 3.340 3.261 3.229 3.189 3.142 3.086 3.022 2.947 2.861 2.764 2.654 2.531 2.393 2.243 2.078 1.902 1.714 1.517 1.313 1.104 99999.999 99999.999 1.945 2.059 2.201 2.353 2.505 2.652 2.791 2.918 3.033 3.132 3.215 3.281 3.329 3.358 3.366 3.305 3.277 3.243 3.202 3.154 3.099 3.034 2.961 2.877 2.783 2.678 2.561 2.434 2.295 2.146 1.987 1.820 1.647 1.468 1.287 1.104 1.936 2.050 2.193 2.346 2.500 2.648 2.788 2.917 3.034 3.136 3.222 3.291 3.343 3.377 3.390 3.345 3.322 3.293 3.258 3.216 3.168 3.112 3.048 2.976 2.895 2.804 2.705 2.595 2.476 2.349 2.213 2.070 1.921 1.767 1.610 1.451 1.836 1.953 2.105 2.269 2.435 2.596 2.751 2.898 3.033 3.156 3.267 3.364 3.448 3.518 3.574 3.640 3.645 3.647 3.646 3.643 3.636 3.626 3.612 3.595 3.575 3.551 3.524 3.493 3.459 3.422 3.382 3.339 3.293 3.245 3.194 3.142 1.717 1.841 2.005 2.180 2.358 2.532 2.701 2.862 3.013 3.154 3.284 3.403 3.510 3.606 3.690 3.824 3.844 3.863 3.880 3.895 3.907 3.918 3.926 3.932 3.936 3.937 3.937 3.934 3.929 3.922 3.913 3.902 3.889 3.874 3.858 3.839 1.584 1.719 1.894 2.082 2.272 2.459 2.640 2.813 2.979 3.135 3.281 3.418 3.544 3.660 3.766 3.948 3.979 4.009 4.038 4.064 4.089 4.113 4.134 4.154 4.172 4.189 4.204 4.217 4.228 4.238 4.246 4.253 4.257 4.261 4.263 4.263 1.439 1.587 1.776 1.976 2.178 2.377 2.570 2.756 2.934 3.103 3.264 3.415 3.557 3.690 3.813 4.034 4.073 4.112 4.149 4.184 4.218 4.251 4.282 4.312 4.340 4.367 4.392 4.416 4.439 4.460 4.479 4.497 4.514 4.529 4.543 4.556 1.284 1.449 1.651 1.864 2.079 2.289 2.494 2.691 2.881 3.062 3.235 3.399 3.555 3.702 3.840 4.092 4.139 4.184 4.228 4.270 4.311 4.351 4.390 4.427 4.463 4.498 4.531 4.563 4.594 4.623 4.651 4.678 4.703 4.727 4.750 4.771 1.122 1.304 1.520 1.747 1.974 2.196 2.412 2.620 2.820 3.013 3.197 3.373 3.541 3.700 3.852 4.131 4.183 4.233 4.283 4.331 4.378 4.424 4.469 4.512 4.554 4.595 4.635 4.673 4.710 4.746 4.781 4.814 4.846 4.877 4.907 4.935 0.954 1.154 1.385 1.625 1.864 2.098 2.325 2.544 2.754 2.957 3.152 3.339 3.517 3.688 3.851 4.153 4.210 4.266 4.320 4.373 4.425 4.476 4.526 4.574 4.621 4.668 4.712 4.756 4.798 4.840 4.880 4.918 4.956 4.992 5.027 5.061 99999.999 0.999 1.246 1.499 1.751 1.996 2.234 2.463 2.683 2.896 3.100 3.297 3.486 3.667 3.840 4.163 4.224 4.284 4.343 4.400 4.457 4.512 4.566 4.619 4.670 4.721 4.770 4.818 4.865 4.911 4.955 4.998 5.040 5.081 5.121 5.159 ErHCO3+2 ErHCO3+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 2 1.000 5 1.000 62 -1.775 -1.772 -1.894 -2.080 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.775 -1.772 -1.894 -2.080 -2.309 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.775 -1.772 -1.894 -2.080 -2.308 -2.567 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 3 -1.000 1 1.000 2 1.000 62 9.013 7.761 6.708 5.813 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.013 7.761 6.708 5.813 5.043 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.013 7.762 6.708 5.813 5.044 4.374 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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2.435 2.038 1.667 1.316 0.986 0.694 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.128 7.878 6.822 5.923 5.150 4.478 3.886 3.360 2.886 2.456 2.061 1.693 1.346 1.018 0.692 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.150 7.901 6.844 5.944 5.171 4.498 3.906 3.379 2.906 2.477 2.083 1.718 1.376 1.052 0.722 3.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.172 7.923 6.866 5.965 5.191 4.517 3.925 3.399 2.926 2.497 2.105 1.742 1.405 1.086 0.763 1.491 2.208 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.193 7.945 6.887 5.986 5.211 4.537 3.944 3.418 2.945 2.517 2.126 1.766 1.432 1.120 0.807 1.098 1.354 1.811 2.489 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.214 7.967 6.908 6.006 5.231 4.556 3.963 3.437 2.964 2.537 2.147 1.789 1.459 1.152 0.851 0.925 1.036 1.238 1.562 2.010 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.235 7.988 6.929 6.027 5.250 4.575 3.982 3.455 2.983 2.556 2.167 1.811 1.484 1.183 0.893 0.831 0.876 0.972 1.135 1.378 1.699 2.066 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.256 8.009 6.950 6.046 5.269 4.594 4.000 3.474 3.002 2.575 2.187 1.832 1.508 1.212 0.932 0.775 0.783 0.825 0.908 1.041 1.230 1.470 1.746 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.276 8.030 6.970 6.066 5.288 4.612 4.018 3.492 3.020 2.594 2.206 1.853 1.531 1.238 0.967 0.740 0.726 0.735 0.773 0.843 0.953 1.102 1.289 1.503 1.728 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.296 8.051 6.990 6.086 5.307 4.631 4.036 3.509 3.038 2.612 2.225 1.873 1.553 1.263 0.999 0.719 0.690 0.678 0.687 0.719 0.779 0.869 0.990 1.139 1.309 1.491 1.676 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.316 8.071 7.010 6.105 5.326 4.649 4.054 3.527 3.055 2.630 2.243 1.892 1.574 1.286 1.027 0.707 0.667 0.640 0.630 0.637 0.665 0.716 0.790 0.889 1.009 1.147 1.297 1.452 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.336 8.091 7.030 6.124 5.344 4.666 4.072 3.544 3.073 2.647 2.261 1.911 1.593 1.307 1.051 0.701 0.653 0.616 0.591 0.581 0.587 0.611 0.653 0.715 0.796 0.895 1.009 1.133 1.265 1.402 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.355 8.111 7.049 6.143 5.362 4.684 4.089 3.561 3.090 2.665 2.279 1.929 1.612 1.327 1.073 0.699 0.645 0.600 0.566 0.543 0.533 0.537 0.556 0.591 0.643 0.710 0.793 0.887 0.992 1.106 1.225 99999.999 99999.999 99999.999 99999.999 99999.999 9.374 8.131 7.069 6.161 5.380 4.702 4.106 3.578 3.107 2.682 2.297 1.947 1.630 1.345 1.092 0.701 0.642 0.591 0.549 0.517 0.495 0.485 0.487 0.502 0.531 0.574 0.630 0.699 0.779 0.868 0.966 1.071 1.182 99999.999 99999.999 99999.999 9.393 8.150 7.088 6.180 5.398 4.719 4.123 3.595 3.123 2.698 2.314 1.964 1.648 1.363 1.109 0.705 0.643 0.587 0.539 0.499 0.468 0.447 0.436 0.437 0.448 0.472 0.508 0.555 0.613 0.681 0.757 0.842 0.935 1.034 99999.999 99999.999 9.412 8.170 7.107 6.198 5.416 4.736 4.140 3.612 3.140 2.715 2.330 1.981 1.664 1.379 1.124 0.712 0.646 0.586 0.534 0.488 0.450 0.421 0.400 0.388 0.387 0.395 0.414 0.444 0.483 0.532 0.590 0.657 0.731 0.812 0.900 0.995 9.431 8.189 7.125 6.216 5.433 4.753 4.156 3.628 3.156 2.731 2.347 1.998 1.681 1.395 1.139 0.719 0.651 0.589 0.532 0.482 0.438 0.402 0.373 0.353 0.341 0.337 0.343 0.358 0.382 0.415 0.457 0.506 0.564 0.629 0.701 0.779 9.605 8.370 7.303 6.388 5.599 4.913 4.312 3.781 3.309 2.884 2.501 2.153 1.836 1.548 1.286 0.835 0.755 0.679 0.606 0.537 0.471 0.408 0.348 0.292 0.238 0.188 0.142 0.098 0.058 0.021 -0.012 -0.042 -0.068 -0.091 -0.111 -0.127 9.763 8.537 7.467 6.546 5.751 5.060 4.455 3.921 3.447 3.022 2.639 2.292 1.976 1.688 1.425 0.966 0.883 0.804 0.727 0.653 0.582 0.513 0.447 0.383 0.321 0.261 0.203 0.148 0.094 0.043 -0.007 -0.055 -0.101 -0.145 -0.188 -0.229 9.910 8.692 7.620 6.694 5.893 5.197 4.588 4.051 3.574 3.148 2.765 2.418 2.103 1.815 1.553 1.092 1.009 0.929 0.851 0.776 0.703 0.632 0.564 0.498 0.433 0.371 0.310 0.251 0.194 0.138 0.084 0.031 -0.021 -0.071 -0.120 -0.168 10.046 8.838 7.763 6.833 6.027 5.326 4.712 4.172 3.692 3.265 2.881 2.534 2.219 1.932 1.670 1.210 1.127 1.047 0.969 0.893 0.820 0.749 0.680 0.613 0.548 0.485 0.424 0.364 0.305 0.248 0.193 0.139 0.085 0.033 -0.018 -0.067 10.174 8.976 7.900 6.965 6.154 5.449 4.831 4.286 3.804 3.374 2.989 2.642 2.327 2.041 1.779 1.320 1.237 1.157 1.079 1.003 0.930 0.860 0.791 0.724 0.659 0.596 0.534 0.474 0.416 0.358 0.303 0.248 0.195 0.143 0.091 0.041 10.296 9.108 8.031 7.092 6.276 5.566 4.944 4.396 3.910 3.478 3.091 2.743 2.428 2.142 1.881 1.422 1.340 1.260 1.182 1.107 1.034 0.963 0.895 0.828 0.763 0.700 0.639 0.579 0.521 0.464 0.408 0.354 0.301 0.249 0.198 0.148 10.412 9.235 8.157 7.214 6.393 5.678 5.052 4.500 4.012 3.577 3.189 2.839 2.523 2.237 1.976 1.518 1.436 1.356 1.278 1.203 1.131 1.060 0.992 0.925 0.861 0.798 0.737 0.678 0.620 0.563 0.508 0.454 0.401 0.349 0.299 0.249 99999.999 9.358 8.279 7.332 6.507 5.787 5.157 4.602 4.110 3.673 3.282 2.931 2.614 2.327 2.066 1.609 1.526 1.446 1.369 1.294 1.222 1.152 1.083 1.017 0.953 0.890 0.829 0.770 0.712 0.656 0.601 0.548 0.495 0.444 0.394 0.345 ErO+ ErO+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 3 -2.000 1 1.000 2 1.000 62 18.317 15.971 14.051 12.455 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.317 15.971 14.051 12.455 11.107 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.318 15.971 14.052 12.455 11.107 9.954 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.319 15.973 14.053 12.457 11.108 9.955 8.955 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.322 15.975 14.055 12.459 11.111 9.957 8.958 8.080 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.325 15.978 14.059 12.462 11.114 9.960 8.961 8.084 7.305 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.330 15.984 14.064 12.467 11.119 9.965 8.966 8.089 7.310 6.609 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.338 15.991 14.071 12.474 11.126 9.973 8.973 8.097 7.318 6.617 5.974 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.348 16.001 14.082 12.484 11.136 9.982 8.983 8.107 7.329 6.629 5.987 5.386 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.362 16.015 14.095 12.497 11.149 9.995 8.996 8.120 7.344 6.645 6.005 5.407 4.842 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.379 16.033 14.113 12.515 11.166 10.012 9.013 8.138 7.362 6.665 6.028 5.434 4.873 4.365 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.402 16.056 14.135 12.536 11.187 10.034 9.035 8.161 7.386 6.691 6.057 5.468 4.914 4.395 4.028 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.419 16.074 14.152 12.553 11.204 10.050 9.052 8.178 7.404 6.710 6.079 5.494 4.945 4.427 3.953 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.444 16.099 14.177 12.577 11.227 10.073 9.075 8.202 7.429 6.737 6.110 5.531 4.990 4.478 3.961 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.468 16.123 14.201 12.601 11.250 10.096 9.099 8.226 7.454 6.764 6.140 5.567 5.034 4.532 4.014 7.492 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.492 16.148 14.225 12.624 11.273 10.119 9.121 8.249 7.479 6.790 6.169 5.601 5.077 4.585 4.081 5.130 6.149 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.516 16.172 14.248 12.647 11.296 10.141 9.144 8.272 7.503 6.816 6.197 5.634 5.117 4.637 4.153 4.569 4.932 5.578 6.524 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.539 16.195 14.272 12.670 11.318 10.163 9.166 8.295 7.526 6.841 6.225 5.666 5.156 4.686 4.223 4.324 4.480 4.765 5.222 5.846 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.562 16.219 14.295 12.692 11.340 10.185 9.188 8.317 7.549 6.866 6.251 5.696 5.193 4.732 4.289 4.192 4.254 4.389 4.618 4.959 5.405 5.907 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.585 16.242 14.317 12.714 11.361 10.207 9.210 8.339 7.572 6.890 6.278 5.726 5.227 4.775 4.349 4.115 4.125 4.182 4.298 4.485 4.749 5.083 5.460 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.607 16.265 14.340 12.736 11.383 10.228 9.231 8.361 7.595 6.913 6.303 5.754 5.260 4.815 4.404 4.068 4.046 4.057 4.109 4.208 4.361 4.571 4.830 5.123 5.427 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.629 16.287 14.362 12.757 11.404 10.249 9.252 8.382 7.617 6.936 6.328 5.781 5.291 4.852 4.453 4.041 3.997 3.979 3.990 4.035 4.120 4.246 4.415 4.622 4.855 5.102 5.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.651 16.310 14.384 12.779 11.425 10.269 9.272 8.403 7.638 6.959 6.352 5.807 5.320 4.885 4.496 4.026 3.967 3.928 3.912 3.922 3.961 4.033 4.138 4.277 4.444 4.634 4.839 5.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.672 16.332 14.405 12.800 11.445 10.290 9.293 8.424 7.660 6.981 6.375 5.833 5.347 4.916 4.533 4.019 3.950 3.897 3.861 3.847 3.855 3.888 3.949 4.037 4.151 4.289 4.447 4.619 4.800 4.987 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.694 16.354 14.427 12.821 11.466 10.310 9.313 8.444 7.681 7.003 6.398 5.857 5.374 4.944 4.566 4.019 3.942 3.877 3.828 3.796 3.782 3.788 3.816 3.867 3.941 4.036 4.152 4.285 4.432 4.589 4.754 99999.999 99999.999 99999.999 99999.999 99999.999 18.715 16.375 14.448 12.841 11.486 10.330 9.333 8.465 7.701 7.024 6.421 5.881 5.398 4.970 4.594 4.024 3.940 3.867 3.807 3.762 3.732 3.718 3.722 3.745 3.788 3.850 3.931 4.029 4.142 4.269 4.406 4.553 4.709 99999.999 99999.999 99999.999 18.735 16.396 14.469 12.862 11.506 10.349 9.352 8.484 7.722 7.046 6.443 5.904 5.422 4.994 4.619 4.032 3.943 3.863 3.796 3.740 3.697 3.669 3.655 3.657 3.676 3.712 3.764 3.833 3.916 4.014 4.124 4.246 4.377 4.518 99999.999 99999.999 18.756 16.417 14.489 12.882 11.526 10.369 9.372 8.504 7.742 7.066 6.464 5.926 5.445 5.018 4.641 4.043 3.949 3.865 3.791 3.727 3.675 3.635 3.607 3.593 3.594 3.609 3.638 3.683 3.741 3.813 3.898 3.995 4.103 4.221 4.349 4.486 18.776 16.438 14.510 12.902 11.545 10.388 9.391 8.523 7.761 7.087 6.486 5.948 5.468 5.040 4.662 4.055 3.958 3.870 3.791 3.721 3.661 3.612 3.574 3.547 3.533 3.531 3.543 3.567 3.605 3.655 3.718 3.792 3.878 3.974 4.080 4.196 18.967 16.636 14.705 13.092 11.730 10.570 9.571 8.705 7.946 7.277 6.682 6.151 5.676 5.251 4.870 4.229 4.119 4.014 3.914 3.819 3.730 3.646 3.566 3.492 3.422 3.358 3.298 3.244 3.194 3.149 3.110 3.075 3.046 3.022 3.003 2.989 19.139 16.817 14.884 13.266 11.900 10.736 9.735 8.868 8.111 7.445 6.855 6.330 5.860 5.439 5.062 4.419 4.306 4.198 4.095 3.996 3.901 3.811 3.724 3.641 3.561 3.485 3.412 3.342 3.275 3.212 3.151 3.093 3.038 2.985 2.935 2.887 19.297 16.986 15.050 13.428 12.058 10.890 9.887 9.019 8.262 7.598 7.011 6.490 6.025 5.608 5.235 4.597 4.485 4.378 4.274 4.175 4.080 3.988 3.900 3.816 3.734 3.656 3.580 3.507 3.437 3.369 3.303 3.240 3.178 3.119 3.061 3.005 19.444 17.143 15.207 13.581 12.206 11.035 10.029 9.158 8.401 7.738 7.153 6.635 6.174 5.761 5.392 4.762 4.651 4.544 4.442 4.343 4.249 4.158 4.071 3.987 3.905 3.827 3.752 3.679 3.608 3.540 3.474 3.410 3.348 3.287 3.229 3.171 19.582 17.292 15.355 13.726 12.347 11.171 10.162 9.290 8.531 7.868 7.284 6.768 6.310 5.901 5.535 4.912 4.802 4.697 4.596 4.499 4.406 4.316 4.230 4.147 4.067 3.990 3.915 3.843 3.774 3.707 3.641 3.578 3.517 3.457 3.399 3.343 19.713 17.435 15.497 13.864 12.481 11.302 10.289 9.415 8.655 7.991 7.407 6.893 6.436 6.030 5.667 5.050 4.942 4.838 4.738 4.643 4.551 4.462 4.377 4.295 4.216 4.141 4.067 3.997 3.928 3.862 3.799 3.737 3.677 3.618 3.562 3.506 19.838 17.571 15.633 13.996 12.609 11.427 10.411 9.534 8.772 8.107 7.523 7.009 6.554 6.150 5.790 5.178 5.071 4.968 4.870 4.775 4.684 4.597 4.513 4.433 4.355 4.280 4.208 4.139 4.072 4.007 3.944 3.884 3.825 3.768 3.713 3.659 99999.999 17.704 15.764 14.124 12.733 11.547 10.528 9.648 8.884 8.218 7.634 7.119 6.665 6.262 5.904 5.297 5.191 5.089 4.992 4.898 4.808 4.722 4.639 4.560 4.483 4.410 4.339 4.270 4.205 4.141 4.079 4.020 3.963 3.907 3.853 3.800 ErO2H,aq ErO2H(AQ) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 3.000 Ref: Shock07 3 -3.000 1 2.000 2 1.000 62 27.835 24.318 21.496 19.190 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.835 24.318 21.496 19.190 17.277 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.835 24.318 21.497 19.190 17.277 15.670 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.836 24.320 21.498 19.192 17.279 15.672 14.306 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.838 24.322 21.500 19.194 17.281 15.674 14.308 13.133 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.841 24.325 21.503 19.197 17.284 15.677 14.311 13.137 12.115 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.846 24.330 21.508 19.202 17.289 15.682 14.316 13.142 12.121 11.220 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.852 24.337 21.515 19.208 17.295 15.689 14.323 13.149 12.129 11.229 10.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.861 24.346 21.524 19.218 17.305 15.698 14.333 13.160 12.140 11.241 10.434 9.690 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.873 24.359 21.537 19.230 17.317 15.711 14.346 13.174 12.155 11.258 10.453 9.714 9.025 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.889 24.375 21.553 19.246 17.333 15.727 14.363 13.191 12.174 11.279 10.478 9.745 9.062 8.443 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.908 24.396 21.574 19.267 17.354 15.748 14.384 13.214 12.198 11.306 10.510 9.784 9.110 8.483 8.019 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.923 24.412 21.590 19.283 17.369 15.764 14.401 13.231 12.217 11.326 10.533 9.814 9.148 8.523 7.941 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.944 24.434 21.612 19.305 17.391 15.786 14.424 13.255 12.243 11.355 10.567 9.855 9.200 8.586 7.962 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.965 24.456 21.634 19.327 17.413 15.808 14.446 13.279 12.268 11.383 10.599 9.894 9.251 8.651 8.032 12.055 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.985 24.477 21.656 19.348 17.434 15.829 14.468 13.302 12.292 11.410 10.630 9.932 9.300 8.716 8.118 9.378 10.540 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.004 24.499 21.677 19.369 17.455 15.850 14.490 13.324 12.316 11.436 10.660 9.969 9.346 8.777 8.206 8.738 9.159 9.899 10.962 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.024 24.519 21.698 19.390 17.476 15.871 14.511 13.346 12.340 11.462 10.689 10.003 9.390 8.835 8.293 8.459 8.645 8.979 9.504 10.211 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.042 24.540 21.718 19.410 17.496 15.891 14.532 13.368 12.363 11.487 10.717 10.037 9.432 8.889 8.373 8.310 8.389 8.552 8.823 9.218 9.725 10.287 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.061 24.560 21.739 19.430 17.516 15.911 14.552 13.389 12.385 11.511 10.744 10.068 9.470 8.939 8.446 8.222 8.243 8.318 8.461 8.683 8.992 9.376 9.803 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.079 24.579 21.758 19.450 17.535 15.931 14.572 13.410 12.407 11.535 10.771 10.098 9.506 8.985 8.512 8.169 8.154 8.177 8.247 8.371 8.556 8.804 9.106 9.442 9.785 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.097 24.599 21.778 19.469 17.555 15.950 14.592 13.430 12.429 11.558 10.796 10.127 9.540 9.026 8.570 8.138 8.099 8.089 8.113 8.176 8.284 8.441 8.644 8.887 9.159 9.443 9.725 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.114 24.618 21.797 19.488 17.573 15.969 14.611 13.450 12.450 11.580 10.821 10.155 9.572 9.064 8.620 8.121 8.065 8.032 8.025 8.049 8.107 8.201 8.334 8.503 8.705 8.930 9.170 9.415 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.131 24.636 21.816 19.507 17.592 15.988 14.630 13.470 12.470 11.602 10.845 10.181 9.601 9.098 8.663 8.114 8.045 7.996 7.968 7.964 7.987 8.039 8.122 8.236 8.379 8.549 8.740 8.946 9.162 9.382 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.148 24.655 21.834 19.525 17.610 16.006 14.648 13.489 12.491 11.624 10.868 10.206 9.629 9.129 8.699 8.113 8.035 7.974 7.930 7.907 7.905 7.927 7.973 8.046 8.145 8.268 8.414 8.579 8.759 8.950 9.150 99999.999 99999.999 99999.999 99999.999 99999.999 28.164 24.673 21.853 19.543 17.628 16.024 14.667 13.508 12.510 11.645 10.890 10.231 9.655 9.157 8.731 8.118 8.033 7.962 7.907 7.869 7.849 7.848 7.868 7.910 7.975 8.061 8.169 8.296 8.441 8.600 8.772 8.954 9.146 99999.999 99999.999 99999.999 28.181 24.691 21.871 19.561 17.646 16.042 14.685 13.527 12.530 11.666 10.912 10.254 9.680 9.183 8.758 8.126 8.036 7.958 7.894 7.844 7.810 7.793 7.793 7.812 7.850 7.907 7.984 8.079 8.192 8.320 8.462 8.618 8.785 8.963 99999.999 99999.999 28.196 24.708 21.888 19.578 17.663 16.059 14.702 13.545 12.549 11.686 10.934 10.277 9.704 9.207 8.782 8.138 8.042 7.959 7.888 7.830 7.785 7.755 7.740 7.741 7.758 7.793 7.844 7.913 7.997 8.098 8.213 8.342 8.484 8.638 8.804 8.981 28.212 24.725 21.906 19.596 17.681 16.076 14.720 13.563 12.568 11.706 10.955 10.299 9.727 9.231 8.804 8.151 8.052 7.964 7.888 7.823 7.770 7.729 7.702 7.689 7.691 7.707 7.738 7.785 7.847 7.923 8.014 8.119 8.236 8.366 8.508 8.662 28.353 24.884 22.068 19.757 17.840 16.235 14.880 13.727 12.739 11.885 11.145 10.500 9.937 9.446 9.020 8.335 8.222 8.117 8.018 7.927 7.842 7.764 7.692 7.626 7.567 7.514 7.467 7.427 7.392 7.364 7.342 7.326 7.316 7.313 7.316 7.325 28.472 25.023 22.210 19.899 17.981 16.375 15.020 13.870 12.885 12.039 11.306 10.670 10.116 9.633 9.212 8.531 8.416 8.309 8.208 8.112 8.023 7.938 7.859 7.785 7.716 7.651 7.590 7.534 7.481 7.433 7.388 7.346 7.309 7.274 7.243 7.215 28.573 25.146 22.338 20.026 18.107 16.500 15.146 13.996 13.015 12.172 11.446 10.817 10.270 9.795 9.381 8.710 8.597 8.491 8.391 8.296 8.207 8.123 8.043 7.968 7.898 7.831 7.769 7.710 7.654 7.602 7.552 7.506 7.462 7.421 7.382 7.345 28.661 25.256 22.453 20.142 18.221 16.614 15.259 14.110 13.130 12.291 11.569 10.946 10.405 9.937 9.530 8.871 8.760 8.656 8.558 8.465 8.377 8.295 8.217 8.143 8.074 8.009 7.947 7.889 7.834 7.782 7.733 7.687 7.643 7.602 7.563 7.525 28.739 25.357 22.559 20.248 18.327 16.718 15.363 14.214 13.235 12.398 11.680 11.060 10.526 10.063 9.662 9.015 8.906 8.804 8.708 8.617 8.532 8.451 8.375 8.304 8.237 8.173 8.113 8.057 8.004 7.954 7.907 7.862 7.820 7.780 7.743 7.707 28.808 25.449 22.657 20.347 18.425 16.815 15.459 14.309 13.331 12.496 11.780 11.164 10.634 10.176 9.780 9.143 9.037 8.937 8.843 8.754 8.671 8.593 8.519 8.449 8.384 8.323 8.265 8.211 8.160 8.112 8.067 8.024 7.984 7.946 7.911 7.877 28.871 25.535 22.748 20.439 18.517 16.906 15.548 14.399 13.421 12.586 11.872 11.259 10.732 10.278 9.886 9.259 9.155 9.057 8.965 8.878 8.797 8.720 8.648 8.581 8.517 8.458 8.402 8.350 8.301 8.255 8.212 8.171 8.134 8.098 8.064 8.033 99999.999 25.616 22.834 20.526 18.603 16.991 15.633 14.483 13.505 12.671 11.957 11.346 10.822 10.371 9.983 9.365 9.262 9.166 9.075 8.990 8.911 8.836 8.766 8.700 8.638 8.581 8.527 8.476 8.429 8.385 8.344 8.305 8.269 8.235 8.204 8.174 ErO2- ErO2- P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 4.000 Ref: Shock07 3 -4.000 1 2.000 2 1.000 62 36.640 32.601 29.309 26.581 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.640 32.601 29.309 26.581 24.293 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.641 32.601 29.309 26.582 24.293 22.352 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.642 32.602 29.310 26.583 24.294 22.353 20.689 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.644 32.604 29.312 26.585 24.296 22.354 20.691 19.255 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.646 32.607 29.315 26.588 24.299 22.357 20.694 19.258 18.010 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.650 32.611 29.319 26.592 24.303 22.361 20.697 19.261 18.013 16.922 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.656 32.618 29.325 26.598 24.308 22.366 20.703 19.267 18.019 16.928 15.968 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.664 32.626 29.334 26.606 24.316 22.374 20.710 19.274 18.026 16.935 15.976 15.132 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.674 32.637 29.345 26.616 24.327 22.384 20.720 19.284 18.036 16.945 15.986 15.141 14.418 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.688 32.652 29.359 26.630 24.340 22.397 20.733 19.297 18.049 16.958 15.998 15.154 14.424 13.871 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.705 32.670 29.377 26.648 24.357 22.414 20.750 19.313 18.065 16.974 16.015 15.171 14.436 13.842 13.657 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.718 32.684 29.391 26.662 24.370 22.427 20.762 19.326 18.077 16.986 16.028 15.184 14.448 13.836 13.449 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.736 32.704 29.411 26.681 24.389 22.445 20.780 19.343 18.095 17.004 16.046 15.204 14.468 13.842 13.342 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.754 32.723 29.430 26.700 24.407 22.462 20.797 19.360 18.112 17.021 16.064 15.223 14.488 13.857 13.316 18.792 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.772 32.743 29.449 26.718 24.425 22.480 20.814 19.377 18.128 17.038 16.081 15.242 14.509 13.877 13.322 15.058 16.734 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.789 32.761 29.468 26.736 24.443 22.497 20.831 19.393 18.145 17.054 16.098 15.260 14.529 13.899 13.344 14.121 14.763 15.869 17.513 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.806 32.780 29.486 26.754 24.460 22.513 20.847 19.410 18.161 17.070 16.115 15.278 14.549 13.922 13.371 13.674 13.989 14.516 15.329 16.448 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.823 32.798 29.504 26.772 24.477 22.530 20.863 19.426 18.177 17.086 16.131 15.296 14.569 13.943 13.400 13.407 13.571 13.855 14.298 14.932 15.759 16.723 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.839 32.816 29.522 26.789 24.493 22.546 20.879 19.441 18.192 17.102 16.147 15.312 14.587 13.964 13.428 13.229 13.307 13.465 13.722 14.100 14.612 15.256 15.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.855 32.833 29.540 26.806 24.510 22.562 20.895 19.456 18.207 17.117 16.163 15.328 14.604 13.983 13.453 13.102 13.127 13.208 13.358 13.590 13.915 14.341 14.861 15.455 16.090 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.870 32.850 29.557 26.822 24.526 22.578 20.910 19.471 18.222 17.132 16.178 15.344 14.620 13.999 13.474 13.009 12.996 13.027 13.109 13.250 13.459 13.742 14.102 14.533 15.021 15.547 16.088 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.886 32.867 29.574 26.839 24.542 22.593 20.925 19.486 18.237 17.146 16.192 15.358 14.634 14.014 13.492 12.937 12.898 12.893 12.928 13.009 13.141 13.330 13.579 13.888 14.252 14.662 15.105 15.566 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.901 32.884 29.590 26.855 24.557 22.608 20.940 19.501 18.251 17.161 16.206 15.372 14.648 14.027 13.506 12.882 12.822 12.791 12.793 12.831 12.910 13.033 13.204 13.424 13.692 14.005 14.355 14.734 15.133 15.543 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.915 32.900 29.606 26.871 24.573 22.623 20.954 19.515 18.265 17.175 16.220 15.386 14.661 14.039 13.516 12.838 12.763 12.712 12.689 12.695 12.735 12.811 12.925 13.080 13.276 13.511 13.783 14.087 14.416 14.764 15.126 99999.999 99999.999 99999.999 99999.999 99999.999 36.930 32.916 29.623 26.887 24.588 22.638 20.969 19.529 18.279 17.188 16.234 15.399 14.673 14.049 13.523 12.804 12.716 12.649 12.607 12.589 12.600 12.640 12.713 12.819 12.959 13.135 13.343 13.582 13.849 14.137 14.445 14.766 15.097 99999.999 99999.999 99999.999 36.944 32.932 29.638 26.902 24.603 22.652 20.983 19.543 18.293 17.202 16.247 15.412 14.684 14.058 13.529 12.776 12.678 12.599 12.541 12.505 12.493 12.506 12.547 12.615 12.714 12.842 12.999 13.185 13.397 13.633 13.889 14.162 14.449 14.748 99999.999 99999.999 36.958 32.947 29.654 26.917 24.617 22.666 20.996 19.556 18.306 17.215 16.260 15.424 14.695 14.066 13.532 12.754 12.648 12.558 12.488 12.437 12.407 12.399 12.415 12.454 12.519 12.610 12.727 12.870 13.036 13.226 13.436 13.665 13.909 14.167 14.436 14.716 36.971 32.963 29.669 26.932 24.632 22.680 21.010 19.570 18.320 17.228 16.273 15.436 14.706 14.074 13.536 12.737 12.623 12.525 12.445 12.382 12.337 12.312 12.308 12.324 12.363 12.424 12.509 12.615 12.745 12.895 13.066 13.254 13.459 13.679 13.912 14.156 37.095 33.104 29.812 27.071 24.766 22.810 21.136 19.693 18.442 17.349 16.392 15.551 14.813 14.165 13.600 12.692 12.544 12.406 12.278 12.160 12.052 11.953 11.864 11.785 11.716 11.655 11.604 11.563 11.531 11.507 11.493 11.488 11.492 11.504 11.525 11.554 37.200 33.228 29.938 27.194 24.885 22.925 21.247 19.802 18.548 17.455 16.497 15.655 14.913 14.259 13.683 12.737 12.577 12.426 12.284 12.149 12.023 11.904 11.793 11.689 11.591 11.501 11.417 11.339 11.267 11.202 11.141 11.087 11.037 10.993 10.954 10.919 37.291 33.338 30.051 27.305 24.993 23.028 21.347 19.899 18.643 17.548 16.590 15.747 15.004 14.347 13.767 12.804 12.639 12.483 12.334 12.193 12.059 11.932 11.812 11.698 11.591 11.489 11.392 11.301 11.216 11.135 11.058 10.986 10.918 10.855 10.795 10.738 37.370 33.437 30.153 27.406 25.090 23.122 21.438 19.987 18.729 17.633 16.673 15.830 15.086 14.429 13.847 12.876 12.709 12.549 12.398 12.254 12.116 11.986 11.861 11.743 11.630 11.523 11.422 11.325 11.233 11.145 11.062 10.983 10.907 10.836 10.767 10.702 37.441 33.528 30.248 27.500 25.181 23.210 21.522 20.068 18.807 17.710 16.749 15.905 15.161 14.503 13.921 12.946 12.778 12.617 12.464 12.318 12.179 12.046 11.920 11.800 11.685 11.575 11.471 11.371 11.276 11.185 11.099 11.016 10.937 10.862 10.790 10.721 37.503 33.612 30.336 27.587 25.265 23.291 21.600 20.143 18.880 17.781 16.819 15.974 15.230 14.572 13.989 13.013 12.844 12.682 12.529 12.382 12.242 12.108 11.981 11.859 11.743 11.632 11.527 11.425 11.329 11.237 11.149 11.064 10.984 10.907 10.833 10.763 37.560 33.690 30.418 27.668 25.345 23.367 21.674 20.214 18.949 17.847 16.884 16.038 15.293 14.635 14.052 13.075 12.906 12.744 12.590 12.443 12.303 12.169 12.041 11.918 11.802 11.690 11.584 11.482 11.385 11.292 11.203 11.118 11.036 10.959 10.884 10.813 99999.999 33.764 30.496 27.746 25.420 23.440 21.743 20.281 19.014 17.910 16.945 16.098 15.353 14.694 14.111 13.134 12.964 12.803 12.648 12.501 12.360 12.226 12.098 11.975 11.858 11.746 11.639 11.537 11.440 11.346 11.257 11.172 11.090 11.012 10.937 10.865 ErNO3+2 ErNO3+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 6 -1.000 1 -1.000 2 -1.000 6 1.000 62 1.000 32 1.000 4 93.228 85.316 78.474 72.516 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.228 85.316 78.474 72.516 67.279 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.229 85.317 78.475 72.517 67.280 62.635 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.231 85.319 78.476 72.518 67.282 62.636 58.478 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.235 85.322 78.479 72.521 67.284 62.639 58.481 54.727 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.240 85.327 78.483 72.525 67.288 62.643 58.485 54.732 51.315 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.248 85.333 78.490 72.531 67.294 62.649 58.491 54.738 51.322 48.184 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.259 85.343 78.499 72.540 67.303 62.657 58.500 54.748 51.332 48.196 45.284 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.275 85.357 78.512 72.552 67.315 62.669 58.512 54.761 51.346 48.211 45.303 42.569 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.295 85.375 78.528 72.568 67.330 62.685 58.529 54.778 51.365 48.233 45.329 42.602 39.996 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.322 85.399 78.550 72.589 67.351 62.705 58.550 54.800 51.389 48.260 45.361 42.643 40.054 37.518 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.356 85.429 78.578 72.615 67.377 62.732 58.576 54.828 51.419 48.294 45.401 42.694 40.124 37.625 35.034 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.382 85.452 78.599 72.636 67.397 62.751 58.597 54.849 51.442 48.320 45.432 42.733 40.176 37.702 35.173 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.419 85.485 78.630 72.665 67.425 62.780 58.626 54.880 51.475 48.356 45.474 42.785 40.246 37.804 35.345 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.455 85.517 78.660 72.693 67.453 62.808 58.654 54.909 51.507 48.391 45.515 42.836 40.312 37.897 35.495 31.086 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.491 85.548 78.689 72.721 67.480 62.835 58.682 54.939 51.538 48.426 45.555 42.884 40.374 37.983 35.629 31.590 30.598 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.526 85.579 78.718 72.749 67.507 62.862 58.709 54.967 51.569 48.459 45.593 42.929 40.432 38.062 35.750 31.767 30.911 29.990 28.905 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.561 85.610 78.746 72.776 67.533 62.888 58.736 54.995 51.598 48.492 45.630 42.973 40.488 38.136 35.860 31.896 31.081 30.249 29.374 28.409 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.595 85.640 78.774 72.803 67.560 62.914 58.763 55.023 51.628 48.524 45.666 43.016 40.540 38.204 35.959 32.004 31.211 30.414 29.605 28.765 27.871 26.898 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.628 85.670 78.802 72.829 67.585 62.940 58.789 55.050 51.656 48.555 45.701 43.056 40.589 38.267 36.049 32.098 31.320 30.544 29.766 28.977 28.168 27.325 26.434 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.661 85.700 78.829 72.855 67.611 62.965 58.814 55.076 51.684 48.585 45.734 43.095 40.636 38.326 36.130 32.183 31.415 30.653 29.894 29.134 28.367 27.586 26.782 25.950 25.086 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.694 85.729 78.856 72.881 67.636 62.990 58.840 55.102 51.712 48.615 45.767 43.133 40.680 38.381 36.204 32.261 31.501 30.750 30.005 29.262 28.520 27.773 27.018 26.248 25.462 24.657 23.838 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.726 85.757 78.883 72.906 67.660 63.014 58.864 55.128 51.739 48.644 45.799 43.169 40.722 38.432 36.271 32.334 31.581 30.837 30.102 29.373 28.647 27.923 27.196 26.464 25.725 24.977 24.219 23.455 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.757 85.785 78.909 72.931 67.685 63.039 58.889 55.153 51.766 48.672 45.830 43.204 40.762 38.480 36.331 32.401 31.654 30.918 30.190 29.471 28.758 28.049 27.341 26.634 25.926 25.214 24.498 23.779 23.059 22.341 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.788 85.813 78.935 72.956 67.709 63.062 58.913 55.178 51.792 48.700 45.861 43.237 40.801 38.525 36.386 32.465 31.723 30.992 30.272 29.560 28.857 28.159 27.466 26.776 26.088 25.401 24.714 24.028 23.342 22.659 21.981 99999.999 99999.999 99999.999 99999.999 99999.999 93.819 85.840 78.960 72.980 67.733 63.086 58.937 55.203 51.817 48.728 45.890 43.270 40.837 38.567 36.436 32.525 31.787 31.062 30.347 29.642 28.946 28.258 27.576 26.899 26.226 25.557 24.891 24.227 23.567 22.910 22.259 21.614 20.980 99999.999 99999.999 99999.999 93.849 85.867 78.986 73.004 67.756 63.109 58.960 55.227 51.843 48.755 45.919 43.302 40.873 38.607 36.482 32.583 31.849 31.127 30.418 29.719 29.029 28.348 27.675 27.008 26.347 25.692 25.040 24.394 23.752 23.115 22.484 21.860 21.246 20.641 99999.999 99999.999 93.879 85.894 79.010 73.028 67.779 63.132 58.983 55.250 51.867 48.781 45.948 43.333 40.907 38.645 36.525 32.638 31.907 31.190 30.484 29.790 29.106 28.432 27.765 27.107 26.455 25.810 25.171 24.537 23.910 23.288 22.673 22.065 21.466 20.877 20.299 19.733 93.908 85.920 79.035 73.051 67.802 63.155 59.006 55.274 51.892 48.807 45.976 43.363 40.940 38.681 36.566 32.690 31.963 31.249 30.547 29.858 29.178 28.509 27.849 27.198 26.554 25.917 25.287 24.664 24.048 23.438 22.835 22.240 21.654 21.077 20.510 19.955 94.181 86.166 79.265 73.271 68.015 63.366 59.218 55.491 52.117 49.044 46.228 43.635 41.234 39.003 36.919 33.127 32.421 31.729 31.052 30.389 29.739 29.102 28.476 27.861 27.257 26.664 26.080 25.506 24.941 24.385 23.838 23.299 22.769 22.247 21.733 21.228 94.422 86.386 79.470 73.467 68.206 63.554 59.407 55.682 52.314 49.249 46.444 43.864 41.480 39.267 37.204 33.463 32.769 32.090 31.426 30.777 30.142 29.520 28.910 28.313 27.727 27.153 26.589 26.035 25.491 24.956 24.430 23.914 23.406 22.906 22.414 21.930 94.636 86.583 79.656 73.646 68.380 63.725 59.577 55.854 52.489 49.431 46.634 44.064 41.692 39.492 37.445 33.739 33.053 32.382 31.728 31.088 30.462 29.850 29.251 28.665 28.090 27.527 26.975 26.433 25.901 25.380 24.867 24.364 23.869 23.383 22.905 22.435 94.831 86.763 79.826 73.809 68.538 63.881 59.733 56.010 52.648 49.594 46.803 44.241 41.878 39.689 37.653 33.975 33.294 32.630 31.982 31.348 30.730 30.125 29.533 28.954 28.387 27.832 27.288 26.755 26.232 25.719 25.216 24.722 24.236 23.760 23.291 22.831 95.008 86.928 79.983 73.959 68.685 64.025 59.875 56.154 52.794 49.742 46.957 44.400 42.044 39.863 37.837 34.180 33.504 32.845 32.201 31.573 30.960 30.360 29.774 29.201 28.640 28.090 27.553 27.026 26.509 26.003 25.506 25.019 24.540 24.071 23.609 23.156 95.171 87.080 80.127 74.098 68.820 64.158 60.008 56.286 52.927 49.879 47.096 44.545 42.195 40.020 38.002 34.362 33.690 33.034 32.395 31.771 31.161 30.566 29.984 29.415 28.859 28.314 27.781 27.259 26.748 26.246 25.755 25.273 24.799 24.335 23.879 23.431 95.322 87.223 80.262 74.228 68.947 64.283 60.131 56.410 53.052 50.005 47.225 44.678 42.332 40.163 38.151 34.525 33.856 33.204 32.567 31.947 31.340 30.749 30.170 29.605 29.052 28.511 27.982 27.464 26.956 26.459 25.971 25.493 25.024 24.564 24.112 23.669 99999.999 87.356 80.389 74.350 69.065 64.399 60.247 56.525 53.168 50.122 47.345 44.800 42.458 40.294 38.287 34.673 34.006 33.357 32.723 32.105 31.502 30.913 30.337 29.775 29.225 28.687 28.161 27.646 27.142 26.647 26.163 25.688 25.223 24.766 24.317 23.877 ErH2PO4+2 ErH2PO4+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 3 1.000 1 1.000 27 1.000 62 -9.908 -9.448 -9.260 -9.236 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.908 -9.448 -9.260 -9.236 -9.328 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.907 -9.448 -9.260 -9.236 -9.327 -9.507 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 5 -1.125 1 -0.125 4 1.000 63 0.125 6 0.500 2 47.261 42.547 38.547 35.111 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.261 42.547 38.547 35.111 32.127 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.261 42.548 38.547 35.112 32.127 29.508 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.286 42.573 38.572 35.136 32.151 29.532 27.213 25.141 23.277 21.586 20.042 18.622 17.314 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.296 42.583 38.582 35.146 32.161 29.542 27.223 25.151 23.287 21.598 20.055 18.637 17.329 16.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.308 42.596 38.595 35.159 32.174 29.555 27.236 25.164 23.301 21.613 20.072 18.656 17.350 16.154 15.183 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 47.359 42.649 38.647 35.210 32.224 29.605 27.286 25.217 23.356 21.671 20.136 18.731 17.439 16.245 15.120 14.632 15.265 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.372 42.663 38.661 35.223 32.237 29.618 27.300 25.230 23.370 21.686 20.153 18.750 17.461 16.273 15.156 14.143 14.210 14.533 15.147 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.385 42.677 38.675 35.237 32.251 29.631 27.313 25.244 23.384 21.700 20.169 18.768 17.483 16.301 15.193 13.920 13.811 13.821 13.989 14.322 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.398 42.690 38.688 35.250 32.263 29.644 27.326 25.257 23.397 21.715 20.184 18.786 17.504 16.326 15.230 13.794 13.604 13.484 13.453 13.529 13.709 13.962 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.411 42.703 38.701 35.263 32.276 29.657 27.338 25.270 23.411 21.729 20.200 18.803 17.524 16.350 15.263 13.715 13.481 13.293 13.163 13.102 13.117 13.204 13.346 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.424 42.717 38.714 35.276 32.289 29.669 27.351 25.283 23.424 21.743 20.214 18.819 17.543 16.373 15.294 13.663 13.401 13.173 12.987 12.849 12.764 12.737 12.763 12.831 12.922 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.436 42.730 38.727 35.288 32.301 29.682 27.363 25.295 23.437 21.757 20.229 18.835 17.560 16.393 15.321 13.628 13.346 13.093 12.871 12.686 12.540 12.438 12.381 12.365 12.381 12.421 12.472 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.449 42.743 38.740 35.301 32.314 29.694 27.376 25.308 23.450 21.770 20.243 18.850 17.577 16.412 15.344 13.604 13.309 13.037 12.792 12.575 12.389 12.238 12.123 12.043 11.996 11.977 11.979 11.995 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.461 42.756 38.753 35.313 32.326 29.706 27.388 25.320 23.463 21.783 20.257 18.865 17.592 16.429 15.364 13.587 13.282 12.998 12.735 12.497 12.284 12.099 11.943 11.817 11.721 11.652 11.606 11.580 11.568 11.567 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.473 42.768 38.766 35.326 32.338 29.718 27.400 25.332 23.475 21.796 20.270 18.879 17.607 16.444 15.381 13.577 13.264 12.970 12.695 12.440 12.208 11.998 11.813 11.654 11.520 11.411 11.325 11.260 11.213 11.180 11.159 99999.999 99999.999 99999.999 99999.999 99999.999 47.485 42.781 38.778 35.338 32.350 29.730 27.412 25.344 23.487 21.809 20.284 18.893 17.621 16.458 15.396 13.571 13.252 12.950 12.666 12.399 12.152 11.924 11.718 11.534 11.372 11.232 11.113 11.015 10.935 10.872 10.822 10.785 10.759 99999.999 99999.999 99999.999 47.497 42.793 38.790 35.350 32.362 29.742 27.424 25.356 23.500 21.821 20.297 18.906 17.635 16.472 15.408 13.568 13.245 12.937 12.645 12.369 12.110 11.869 11.647 11.443 11.260 11.095 10.951 10.825 10.717 10.626 10.550 10.488 10.438 10.399 99999.999 99999.999 47.508 42.806 38.803 35.362 32.374 29.753 27.435 25.368 23.512 21.834 20.309 18.919 17.648 16.484 15.420 13.568 13.240 12.928 12.630 12.347 12.079 11.828 11.593 11.375 11.174 10.991 10.826 10.678 10.546 10.431 10.331 10.245 10.172 10.111 10.061 10.022 47.520 42.818 38.815 35.374 32.385 29.765 27.447 25.380 23.524 21.846 20.322 18.932 17.660 16.496 15.430 13.569 13.239 12.922 12.619 12.331 12.056 11.796 11.552 11.322 11.108 10.910 10.728 10.562 10.411 10.276 10.155 10.048 9.954 9.873 9.802 9.743 47.629 42.935 38.931 35.488 32.497 29.875 27.556 25.489 23.635 21.960 20.440 19.052 17.782 16.615 15.542 13.641 13.296 12.962 12.638 12.325 12.022 11.728 11.444 11.169 10.903 10.646 10.398 10.159 9.928 9.705 9.491 9.284 9.086 8.895 8.712 8.537 47.730 43.043 39.039 35.594 32.601 29.976 27.656 25.590 23.736 22.063 20.545 19.160 17.892 16.726 15.653 13.742 13.393 13.055 12.727 12.408 12.098 11.796 11.503 11.219 10.942 10.672 10.410 10.155 9.906 9.665 9.429 9.200 8.977 8.759 8.547 8.341 47.823 43.145 39.141 35.694 32.698 30.071 27.750 25.682 23.829 22.157 20.641 19.258 17.992 16.829 15.756 13.844 13.495 13.156 12.826 12.505 12.193 11.890 11.594 11.306 11.026 10.753 10.487 10.227 9.974 9.726 9.485 9.249 9.019 8.793 8.573 8.358 47.910 43.241 39.238 35.788 32.790 30.162 27.838 25.770 23.916 22.244 20.729 19.348 18.084 16.922 15.851 13.941 13.592 13.253 12.923 12.602 12.290 11.986 11.690 11.401 11.120 10.846 10.578 10.317 10.063 9.814 9.570 9.333 9.100 8.873 8.650 8.432 47.992 43.333 39.330 35.879 32.879 30.248 27.923 25.853 23.998 22.326 20.811 19.432 18.169 17.009 15.940 14.033 13.684 13.345 13.015 12.695 12.382 12.079 11.783 11.494 11.213 10.939 10.671 10.410 10.155 9.906 9.662 9.424 9.191 8.963 8.740 8.522 48.071 43.421 39.419 35.966 32.964 30.330 28.003 25.932 24.076 22.404 20.889 19.510 18.248 17.090 16.022 14.118 13.770 13.431 13.102 12.782 12.470 12.167 11.871 11.583 11.302 11.028 10.761 10.500 10.245 9.996 9.753 9.515 9.283 9.055 8.832 8.613 48.147 43.507 39.505 36.051 33.046 30.410 28.081 26.008 24.151 22.478 20.963 19.584 18.323 17.166 16.099 14.197 13.850 13.512 13.183 12.863 12.552 12.249 11.954 11.666 11.386 11.113 10.846 10.585 10.331 10.083 9.840 9.602 9.370 9.143 8.920 8.702 99999.999 43.590 39.589 36.132 33.125 30.488 28.157 26.082 24.224 22.550 21.034 19.655 18.394 17.237 16.171 14.272 13.925 13.587 13.259 12.940 12.629 12.327 12.032 11.745 11.465 11.192 10.926 10.666 10.412 10.164 9.922 9.685 9.453 9.226 9.004 8.787 Tm+4 Tm(+4) P-T:All Charge = 4. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 5 1.125 1 0.125 4 1.000 63 -0.125 6 -0.500 2 98.454 90.933 84.505 78.954 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.454 90.933 84.505 78.954 74.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.454 90.933 84.505 78.954 74.112 69.853 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.454 90.933 84.505 78.954 74.112 69.853 66.078 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.454 90.933 84.505 78.954 74.112 69.853 66.077 62.709 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.454 90.933 84.505 78.953 74.112 69.852 66.077 62.708 59.685 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.453 90.932 84.504 78.953 74.111 69.851 66.076 62.707 59.684 56.957 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.453 90.932 84.504 78.952 74.110 69.850 66.075 62.705 59.682 56.954 54.486 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.453 90.932 84.503 78.951 74.109 69.849 66.073 62.703 59.679 56.951 54.481 52.237 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.453 90.931 84.502 78.950 74.108 69.847 66.070 62.700 59.675 56.947 54.476 52.230 50.173 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.453 90.930 84.501 78.949 74.106 69.845 66.068 62.697 59.671 56.941 54.469 52.221 50.164 48.234 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.453 90.929 84.500 78.947 74.104 69.842 66.064 62.692 59.665 56.934 54.459 52.209 50.151 48.242 46.296 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.453 90.929 84.499 78.946 74.102 69.840 66.061 62.689 59.661 56.929 54.452 52.200 50.140 48.237 46.416 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.452 90.928 84.497 78.944 74.099 69.837 66.057 62.684 59.655 56.921 54.443 52.187 50.123 48.223 46.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.452 90.927 84.496 78.942 74.097 69.834 66.053 62.679 59.649 56.914 54.433 52.174 50.107 48.204 46.463 38.905 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.453 90.926 84.495 78.940 74.095 69.831 66.050 62.675 59.643 56.907 54.424 52.162 50.090 48.183 46.442 41.483 39.655 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.453 90.925 84.493 78.938 74.093 69.828 66.046 62.670 59.638 56.900 54.416 52.150 50.074 48.162 46.413 42.102 40.990 39.580 37.808 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.453 90.925 84.492 78.937 74.090 69.825 66.043 62.666 59.633 56.894 54.407 52.139 50.059 48.142 46.382 42.389 41.498 40.485 39.296 37.912 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.453 90.924 84.491 78.935 74.088 69.823 66.040 62.662 59.628 56.887 54.399 52.129 50.045 48.123 46.352 42.556 41.766 40.916 39.980 38.932 37.768 36.524 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.453 90.924 84.490 78.934 74.086 69.820 66.036 62.658 59.623 56.881 54.392 52.119 50.032 48.105 46.325 42.665 41.930 41.164 40.353 39.479 38.532 37.512 36.437 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.454 90.923 84.489 78.932 74.084 69.818 66.033 62.654 59.618 56.875 54.385 52.110 50.021 48.089 46.300 42.741 42.041 41.325 40.584 39.807 38.987 38.116 37.197 36.241 35.268 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.454 90.923 84.488 78.931 74.083 69.815 66.030 62.650 59.613 56.870 54.378 52.102 50.010 48.076 46.280 42.795 42.119 41.435 40.738 40.022 39.279 38.504 37.693 36.850 35.982 35.099 34.216 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.455 90.922 84.487 78.929 74.081 69.813 66.027 62.646 59.609 56.864 54.371 52.094 50.000 48.064 46.263 42.836 42.176 41.515 40.848 40.171 39.478 38.766 38.030 37.269 36.486 35.685 34.873 34.059 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.455 90.922 84.486 78.928 74.079 69.811 66.025 62.643 59.604 56.859 54.365 52.086 49.992 48.054 46.249 42.866 42.219 41.574 40.928 40.278 39.621 38.951 38.267 37.566 36.848 36.113 35.366 34.611 33.852 33.095 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.456 90.922 84.485 78.927 74.077 69.809 66.022 62.639 59.600 56.854 54.359 52.079 49.984 48.045 46.239 42.889 42.252 41.619 40.989 40.359 39.726 39.087 38.440 37.782 37.112 36.430 35.736 35.034 34.325 33.613 32.901 99999.999 99999.999 99999.999 99999.999 99999.999 98.456 90.921 84.484 78.926 74.076 69.807 66.019 62.636 59.596 56.849 54.353 52.072 49.977 48.038 46.232 42.907 42.277 41.654 41.036 40.421 39.806 39.190 38.569 37.943 37.310 36.668 36.017 35.359 34.694 34.024 33.352 32.679 32.006 99999.999 99999.999 99999.999 98.457 90.921 84.484 78.924 74.074 69.804 66.016 62.633 59.592 56.844 54.347 52.066 49.970 48.032 46.226 42.921 42.296 41.681 41.072 40.468 39.868 39.269 38.669 38.067 37.461 36.850 36.233 35.610 34.983 34.350 33.715 33.077 32.438 31.799 99999.999 99999.999 98.458 90.921 84.483 78.923 74.073 69.803 66.014 62.630 59.588 56.839 54.342 52.060 49.964 48.026 46.223 42.931 42.311 41.702 41.101 40.506 39.916 39.330 38.746 38.163 37.578 36.991 36.401 35.808 35.210 34.610 34.006 33.400 32.792 32.184 31.575 30.966 98.458 90.921 84.482 78.922 74.071 69.801 66.012 62.627 59.584 56.835 54.336 52.054 49.958 48.021 46.219 42.938 42.323 41.718 41.123 40.536 39.955 39.379 38.808 38.239 37.671 37.103 36.534 35.964 35.392 34.817 34.241 33.663 33.083 32.503 31.921 31.340 98.468 90.921 84.478 78.913 74.059 69.784 65.990 62.600 59.551 56.795 54.289 52.002 49.902 47.966 46.172 42.941 42.343 41.760 41.191 40.634 40.089 39.556 39.034 38.522 38.019 37.526 37.041 36.564 36.094 35.631 35.175 34.724 34.280 33.840 33.405 32.976 98.482 90.925 84.476 78.908 74.050 69.772 65.974 62.579 59.525 56.763 54.252 51.958 49.854 47.915 46.120 42.898 42.305 41.727 41.163 40.614 40.077 39.554 39.042 38.543 38.054 37.577 37.109 36.652 36.204 35.765 35.335 34.913 34.500 34.094 33.696 33.305 98.498 90.930 84.476 78.905 74.043 69.762 65.962 62.563 59.505 56.738 54.221 51.922 49.813 47.870 46.072 42.848 42.256 41.679 41.116 40.569 40.034 39.513 39.005 38.509 38.024 37.551 37.089 36.637 36.195 35.764 35.341 34.928 34.523 34.127 33.740 33.360 98.517 90.938 84.479 78.904 74.039 69.755 65.952 62.550 59.488 56.717 54.196 51.893 49.779 47.831 46.029 42.801 42.207 41.630 41.067 40.519 39.985 39.465 38.957 38.461 37.978 37.506 37.045 36.594 36.154 35.724 35.304 34.893 34.491 34.098 33.714 33.337 98.536 90.947 84.483 78.904 74.037 69.750 65.944 62.539 59.475 56.700 54.176 51.868 49.750 47.798 45.992 42.757 42.163 41.584 41.021 40.472 39.938 39.416 38.908 38.412 37.928 37.456 36.995 36.544 36.104 35.674 35.254 34.844 34.442 34.050 33.666 33.290 98.558 90.958 84.488 78.906 74.036 69.747 65.938 62.531 59.464 56.686 54.159 51.847 49.725 47.769 45.960 42.718 42.123 41.543 40.979 40.429 39.893 39.371 38.862 38.365 37.881 37.407 36.946 36.495 36.054 35.624 35.203 34.792 34.390 33.997 33.612 33.236 98.579 90.969 84.494 78.909 74.036 69.744 65.933 62.524 59.455 56.675 54.144 51.830 49.704 47.745 45.932 42.684 42.087 41.506 40.941 40.390 39.853 39.330 38.820 38.322 37.837 37.363 36.900 36.448 36.006 35.575 35.154 34.742 34.339 33.945 33.560 33.183 99999.999 90.980 84.501 78.912 74.037 69.743 65.930 62.519 59.447 56.665 54.132 51.815 49.687 47.724 45.909 42.654 42.056 41.474 40.907 40.355 39.818 39.293 38.782 38.283 37.797 37.322 36.858 36.405 35.963 35.531 35.108 34.695 34.291 33.897 33.510 33.133 TmCO3+ TmCO3+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 3 -1.000 1 1.000 5 1.000 63 1.982 2.113 2.249 2.385 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.982 2.113 2.249 2.385 2.515 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.982 2.112 2.249 2.385 2.515 2.634 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.982 2.112 2.249 2.385 2.515 2.634 2.737 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.981 2.112 2.249 2.385 2.515 2.634 2.737 2.820 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.981 2.111 2.248 2.385 2.515 2.634 2.737 2.821 2.880 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.980 2.110 2.247 2.384 2.514 2.634 2.738 2.822 2.882 2.909 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.979 2.109 2.246 2.383 2.514 2.634 2.739 2.824 2.885 2.914 2.899 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.978 2.107 2.245 2.382 2.513 2.634 2.740 2.826 2.889 2.921 2.910 2.836 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.976 2.105 2.242 2.380 2.512 2.634 2.741 2.829 2.894 2.929 2.923 2.858 2.702 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.974 2.102 2.239 2.378 2.511 2.634 2.742 2.833 2.900 2.939 2.939 2.885 2.748 2.465 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.970 2.097 2.235 2.374 2.509 2.633 2.744 2.837 2.908 2.952 2.960 2.917 2.802 2.564 2.017 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.967 2.093 2.231 2.372 2.507 2.633 2.745 2.840 2.914 2.961 2.974 2.941 2.840 2.632 2.175 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.963 2.088 2.226 2.367 2.504 2.632 2.746 2.844 2.921 2.974 2.994 2.972 2.892 2.719 2.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.958 2.082 2.221 2.363 2.501 2.631 2.747 2.848 2.929 2.985 3.013 3.001 2.938 2.796 2.494 1.009 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.953 2.076 2.215 2.358 2.498 2.629 2.748 2.851 2.935 2.996 3.030 3.028 2.981 2.865 2.618 2.107 1.540 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.947 2.070 2.210 2.354 2.495 2.627 2.748 2.854 2.941 3.006 3.046 3.053 3.019 2.927 2.726 2.393 2.137 1.717 0.984 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.941 2.063 2.203 2.349 2.491 2.625 2.748 2.856 2.946 3.016 3.061 3.076 3.055 2.983 2.820 2.564 2.397 2.162 1.817 1.294 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.935 2.056 2.197 2.343 2.487 2.623 2.748 2.858 2.951 3.025 3.075 3.097 3.087 3.033 2.904 2.690 2.565 2.403 2.186 1.887 1.475 0.919 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.929 2.049 2.191 2.338 2.483 2.620 2.747 2.860 2.956 3.033 3.087 3.117 3.117 3.078 2.978 2.791 2.692 2.568 2.411 2.209 1.945 1.601 1.163 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.922 2.042 2.184 2.332 2.478 2.618 2.746 2.861 2.960 3.040 3.099 3.135 3.144 3.119 3.043 2.876 2.795 2.696 2.574 2.422 2.233 1.996 1.701 1.340 0.912 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.915 2.034 2.177 2.326 2.474 2.615 2.745 2.862 2.964 3.047 3.111 3.152 3.169 3.155 3.099 2.950 2.882 2.800 2.701 2.582 2.436 2.259 2.044 1.785 1.479 1.126 0.730 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.908 2.027 2.170 2.320 2.469 2.612 2.744 2.863 2.967 3.054 3.121 3.168 3.191 3.188 3.149 3.016 2.958 2.889 2.807 2.709 2.592 2.452 2.287 2.091 1.861 1.597 1.298 0.969 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.900 2.019 2.163 2.314 2.464 2.608 2.742 2.864 2.970 3.060 3.131 3.182 3.212 3.218 3.193 3.075 3.026 2.967 2.898 2.816 2.719 2.605 2.472 2.317 2.137 1.932 1.700 1.444 1.165 0.869 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.892 2.011 2.156 2.308 2.459 2.605 2.740 2.864 2.973 3.065 3.140 3.195 3.231 3.244 3.231 3.128 3.087 3.037 2.977 2.908 2.826 2.731 2.621 2.494 2.349 2.184 2.000 1.795 1.572 1.333 1.081 99999.999 99999.999 99999.999 99999.999 99999.999 1.884 2.003 2.148 2.301 2.454 2.601 2.738 2.864 2.975 3.070 3.148 3.208 3.248 3.268 3.264 3.177 3.142 3.099 3.048 2.989 2.919 2.838 2.746 2.640 2.519 2.384 2.232 2.065 1.883 1.688 1.481 1.264 1.042 99999.999 99999.999 99999.999 1.876 1.994 2.140 2.295 2.449 2.597 2.736 2.863 2.977 3.075 3.156 3.219 3.264 3.290 3.293 3.223 3.193 3.156 3.113 3.061 3.001 2.932 2.853 2.763 2.661 2.547 2.421 2.282 2.130 1.967 1.795 1.614 1.426 1.235 99999.999 99999.999 1.867 1.985 2.132 2.288 2.443 2.593 2.734 2.863 2.979 3.079 3.163 3.230 3.279 3.310 3.320 3.265 3.240 3.209 3.171 3.127 3.075 3.015 2.947 2.870 2.783 2.685 2.578 2.460 2.332 2.194 2.048 1.895 1.736 1.573 1.407 1.241 1.858 1.977 2.124 2.281 2.437 2.588 2.731 2.862 2.980 3.083 3.170 3.240 3.293 3.328 3.344 3.305 3.284 3.257 3.225 3.187 3.142 3.090 3.031 2.964 2.888 2.805 2.712 2.611 2.501 2.384 2.258 2.127 1.990 1.850 1.706 1.562 1.758 1.879 2.036 2.204 2.373 2.537 2.695 2.843 2.980 3.105 3.217 3.316 3.400 3.471 3.528 3.597 3.603 3.606 3.607 3.604 3.598 3.590 3.578 3.562 3.544 3.522 3.497 3.468 3.437 3.402 3.365 3.325 3.282 3.237 3.191 3.142 1.639 1.768 1.935 2.115 2.296 2.474 2.645 2.808 2.961 3.104 3.236 3.356 3.464 3.561 3.646 3.782 3.803 3.823 3.840 3.855 3.868 3.880 3.889 3.895 3.900 3.903 3.903 3.901 3.897 3.891 3.883 3.873 3.862 3.848 3.833 3.816 1.505 1.645 1.825 2.017 2.210 2.400 2.584 2.760 2.928 3.086 3.234 3.372 3.499 3.616 3.723 3.907 3.940 3.970 3.999 4.026 4.051 4.075 4.097 4.118 4.137 4.154 4.169 4.183 4.195 4.205 4.214 4.221 4.226 4.230 4.232 4.233 1.360 1.514 1.707 1.911 2.117 2.319 2.515 2.703 2.884 3.055 3.218 3.370 3.514 3.648 3.773 3.995 4.035 4.074 4.111 4.147 4.182 4.215 4.246 4.277 4.305 4.333 4.358 4.383 4.406 4.427 4.447 4.465 4.482 4.498 4.512 4.525 1.205 1.374 1.581 1.799 2.017 2.231 2.439 2.639 2.831 3.014 3.189 3.356 3.513 3.661 3.801 4.055 4.102 4.148 4.192 4.235 4.277 4.317 4.356 4.393 4.430 4.465 4.499 4.531 4.562 4.592 4.620 4.647 4.673 4.697 4.720 4.742 1.043 1.229 1.451 1.682 1.912 2.138 2.357 2.568 2.771 2.966 3.152 3.330 3.500 3.661 3.814 4.095 4.148 4.199 4.249 4.298 4.345 4.391 4.436 4.480 4.523 4.564 4.604 4.643 4.680 4.716 4.751 4.785 4.817 4.849 4.878 4.907 0.875 1.079 1.315 1.559 1.803 2.040 2.270 2.492 2.705 2.910 3.107 3.296 3.477 3.649 3.814 4.119 4.177 4.233 4.288 4.341 4.394 4.445 4.495 4.544 4.592 4.638 4.683 4.727 4.770 4.812 4.852 4.891 4.929 4.966 5.001 5.035 99999.999 0.925 1.176 1.433 1.689 1.938 2.179 2.411 2.635 2.850 3.056 3.255 3.446 3.629 3.804 4.130 4.192 4.252 4.312 4.370 4.427 4.482 4.537 4.590 4.642 4.693 4.743 4.791 4.838 4.885 4.929 4.973 5.015 5.056 5.096 5.135 TmHCO3+2 TmHCO3+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 2 1.000 5 1.000 63 -1.775 -1.772 -1.894 -2.080 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.775 -1.772 -1.894 -2.080 -2.309 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.775 -1.772 -1.894 -2.080 -2.309 -2.567 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.775 -1.772 -1.893 -2.080 -2.308 -2.567 -2.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.774 -1.772 -1.893 -2.080 -2.308 -2.566 -2.849 -3.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.773 -1.771 -1.893 -2.079 -2.307 -2.565 -2.848 -3.154 -3.482 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.772 -1.770 -1.892 -2.078 -2.306 -2.564 -2.846 -3.151 -3.479 -3.833 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.771 -1.769 -1.891 -2.077 -2.305 -2.562 -2.844 -3.148 -3.475 -3.827 -4.214 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.769 -1.768 -1.889 -2.076 -2.303 -2.559 -2.841 -3.144 -3.469 -3.819 -4.203 -4.635 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.766 -1.766 -1.888 -2.073 -2.300 -2.556 -2.836 -3.138 -3.461 -3.809 -4.188 -4.613 -5.102 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.763 -1.764 -1.885 -2.071 -2.297 -2.552 -2.830 -3.130 -3.451 -3.796 -4.170 -4.586 -5.061 -5.624 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.759 -1.761 -1.883 -2.068 -2.293 -2.546 -2.824 -3.121 -3.439 -3.779 -4.147 -4.552 -5.010 -5.549 -6.236 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.756 -1.759 -1.881 -2.065 -2.290 -2.543 -2.818 -3.114 -3.430 -3.767 -4.130 -4.528 -4.973 -5.492 -6.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.752 -1.756 -1.878 -2.062 -2.286 -2.537 -2.811 -3.105 -3.418 -3.750 -4.107 -4.494 -4.924 -5.416 -6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.749 -1.754 -1.876 -2.060 -2.282 -2.532 -2.805 -3.096 -3.406 -3.734 -4.085 -4.463 -4.877 -5.346 -5.936 -5.633 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.746 -1.752 -1.874 -2.057 -2.279 -2.528 -2.798 -3.087 -3.394 -3.719 -4.064 -4.434 -4.834 -5.281 -5.830 -6.089 -6.042 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.743 -1.751 -1.873 -2.055 -2.276 -2.523 -2.792 -3.079 -3.383 -3.705 -4.045 -4.406 -4.794 -5.221 -5.732 -6.156 -6.236 -6.277 -6.335 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.741 -1.750 -1.871 -2.053 -2.273 -2.519 -2.787 -3.072 -3.373 -3.691 -4.026 -4.380 -4.757 -5.166 -5.643 -6.153 -6.272 -6.372 -6.458 -6.555 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.740 -1.749 -1.870 -2.051 -2.270 -2.516 -2.781 -3.064 -3.363 -3.678 -4.009 -4.356 -4.723 -5.116 -5.563 -6.129 -6.263 -6.387 -6.502 -6.612 -6.733 -6.894 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.738 -1.748 -1.869 -2.050 -2.268 -2.512 -2.776 -3.057 -3.354 -3.666 -3.992 -4.334 -4.692 -5.071 -5.492 -6.098 -6.237 -6.372 -6.502 -6.627 -6.752 -6.885 -7.044 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.737 -1.748 -1.869 -2.049 -2.266 -2.509 -2.771 -3.051 -3.345 -3.654 -3.976 -4.312 -4.663 -5.030 -5.429 -6.063 -6.205 -6.344 -6.481 -6.615 -6.747 -6.881 -7.022 -7.179 -7.359 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.737 -1.748 -1.869 -2.048 -2.264 -2.506 -2.767 -3.045 -3.337 -3.642 -3.961 -4.293 -4.636 -4.993 -5.374 -6.028 -6.170 -6.311 -6.451 -6.590 -6.727 -6.863 -7.002 -7.146 -7.301 -7.470 -7.654 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.736 -1.748 -1.868 -2.047 -2.263 -2.503 -2.763 -3.039 -3.329 -3.632 -3.947 -4.274 -4.611 -4.960 -5.325 -5.993 -6.135 -6.276 -6.417 -6.558 -6.697 -6.836 -6.976 -7.117 -7.262 -7.414 -7.573 -7.741 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.736 -1.748 -1.869 -2.047 -2.261 -2.501 -2.759 -3.033 -3.321 -3.621 -3.934 -4.257 -4.589 -4.930 -5.283 -5.958 -6.099 -6.240 -6.381 -6.522 -6.663 -6.803 -6.943 -7.084 -7.226 -7.371 -7.519 -7.671 -7.827 -7.985 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.737 -1.749 -1.869 -2.047 -2.260 -2.498 -2.755 -3.028 -3.313 -3.612 -3.921 -4.240 -4.568 -4.903 -5.247 -5.925 -6.064 -6.204 -6.345 -6.485 -6.626 -6.767 -6.907 -7.048 -7.189 -7.331 -7.474 -7.618 -7.764 -7.910 -8.055 99999.999 99999.999 99999.999 99999.999 99999.999 -1.737 -1.750 -1.870 -2.046 -2.259 -2.496 -2.752 -3.023 -3.306 -3.602 -3.909 -4.225 -4.548 -4.879 -5.215 -5.892 -6.030 -6.169 -6.308 -6.448 -6.588 -6.729 -6.869 -7.009 -7.150 -7.290 -7.431 -7.572 -7.712 -7.852 -7.990 -8.125 -8.256 99999.999 99999.999 99999.999 -1.738 -1.751 -1.870 -2.047 -2.258 -2.495 -2.749 -3.018 -3.300 -3.593 -3.897 -4.210 -4.530 -4.856 -5.188 -5.860 -5.997 -6.135 -6.273 -6.411 -6.551 -6.690 -6.830 -6.970 -7.109 -7.249 -7.388 -7.527 -7.665 -7.802 -7.936 -8.068 -8.195 -8.317 99999.999 99999.999 -1.739 -1.753 -1.871 -2.047 -2.258 -2.493 -2.746 -3.013 -3.293 -3.585 -3.886 -4.196 -4.513 -4.836 -5.163 -5.830 -5.965 -6.101 -6.238 -6.375 -6.513 -6.652 -6.791 -6.930 -7.069 -7.207 -7.346 -7.483 -7.620 -7.755 -7.888 -8.018 -8.144 -8.265 -8.379 -8.487 -1.741 -1.754 -1.872 -2.047 -2.258 -2.492 -2.743 -3.009 -3.287 -3.577 -3.876 -4.183 -4.497 -4.816 -5.140 -5.800 -5.934 -6.069 -6.204 -6.340 -6.477 -6.614 -6.752 -6.890 -7.028 -7.165 -7.303 -7.440 -7.576 -7.710 -7.842 -7.971 -8.097 -8.218 -8.333 -8.443 -1.770 -1.781 -1.894 -2.062 -2.263 -2.487 -2.727 -2.979 -3.241 -3.512 -3.790 -4.074 -4.363 -4.657 -4.953 -5.552 -5.673 -5.795 -5.917 -6.039 -6.162 -6.286 -6.410 -6.535 -6.660 -6.786 -6.911 -7.038 -7.164 -7.290 -7.416 -7.541 -7.666 -7.790 -7.913 -8.034 -1.820 -1.826 -1.931 -2.091 -2.284 -2.498 -2.727 -2.968 -3.216 -3.472 -3.733 -3.999 -4.269 -4.541 -4.816 -5.369 -5.481 -5.592 -5.704 -5.816 -5.928 -6.041 -6.154 -6.268 -6.381 -6.495 -6.610 -6.725 -6.840 -6.955 -7.071 -7.187 -7.303 -7.419 -7.535 -7.651 -1.888 -1.884 -1.980 -2.131 -2.315 -2.520 -2.740 -2.970 -3.207 -3.450 -3.697 -3.948 -4.202 -4.457 -4.714 -5.231 -5.335 -5.438 -5.542 -5.646 -5.750 -5.854 -5.958 -6.063 -6.168 -6.273 -6.378 -6.484 -6.590 -6.696 -6.802 -6.909 -7.016 -7.123 -7.230 -7.338 -1.970 -1.953 -2.039 -2.181 -2.356 -2.552 -2.763 -2.983 -3.210 -3.441 -3.676 -3.914 -4.154 -4.396 -4.638 -5.124 -5.221 -5.319 -5.416 -5.513 -5.610 -5.708 -5.805 -5.903 -6.000 -6.098 -6.196 -6.294 -6.393 -6.491 -6.590 -6.689 -6.788 -6.888 -6.988 -7.088 -2.063 -2.032 -2.107 -2.238 -2.404 -2.592 -2.793 -3.004 -3.222 -3.444 -3.668 -3.895 -4.123 -4.352 -4.582 -5.041 -5.133 -5.225 -5.317 -5.408 -5.500 -5.592 -5.684 -5.775 -5.867 -5.959 -6.051 -6.143 -6.235 -6.327 -6.420 -6.513 -6.606 -6.699 -6.792 -6.886 -2.165 -2.118 -2.181 -2.303 -2.459 -2.638 -2.831 -3.033 -3.242 -3.455 -3.670 -3.886 -4.104 -4.323 -4.541 -4.978 -5.065 -5.152 -5.239 -5.326 -5.413 -5.499 -5.586 -5.673 -5.760 -5.847 -5.934 -6.021 -6.108 -6.195 -6.282 -6.370 -6.457 -6.545 -6.633 -6.721 -2.275 -2.210 -2.261 -2.373 -2.519 -2.689 -2.874 -3.068 -3.269 -3.473 -3.679 -3.887 -4.096 -4.304 -4.513 -4.929 -5.012 -5.095 -5.178 -5.260 -5.343 -5.426 -5.508 -5.591 -5.673 -5.756 -5.839 -5.921 -6.004 -6.087 -6.170 -6.253 -6.336 -6.419 -6.503 -6.587 99999.999 -2.307 -2.347 -2.447 -2.585 -2.745 -2.922 -3.108 -3.301 -3.497 -3.696 -3.895 -4.095 -4.295 -4.495 -4.893 -4.972 -5.051 -5.130 -5.209 -5.288 -5.367 -5.446 -5.525 -5.604 -5.683 -5.761 -5.840 -5.919 -5.998 -6.078 -6.157 -6.236 -6.316 -6.396 -6.476 TmOH+2 TmOH+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 3 -1.000 1 1.000 2 1.000 63 8.926 7.688 6.645 5.759 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.927 7.688 6.645 5.759 4.997 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.927 7.688 6.646 5.760 4.998 4.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.928 7.689 6.647 5.761 4.999 4.335 3.750 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.930 7.691 6.649 5.763 5.001 4.337 3.752 3.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.933 7.695 6.652 5.766 5.004 4.340 3.755 3.233 2.762 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.938 7.699 6.657 5.770 5.008 4.344 3.759 3.237 2.767 2.336 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.945 7.706 6.663 5.777 5.014 4.350 3.765 3.244 2.773 2.343 1.943 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.954 7.716 6.673 5.786 5.023 4.359 3.774 3.252 2.782 2.352 1.952 1.575 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.967 7.728 6.685 5.798 5.034 4.370 3.785 3.263 2.793 2.364 1.965 1.589 1.234 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.983 7.745 6.701 5.813 5.049 4.385 3.799 3.278 2.808 2.379 1.982 1.608 1.254 0.938 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.003 7.766 6.721 5.833 5.068 4.403 3.818 3.296 2.827 2.399 2.004 1.633 1.281 0.955 0.747 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.019 7.782 6.737 5.848 5.083 4.418 3.832 3.310 2.841 2.414 2.020 1.651 1.302 0.974 0.686 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.041 7.804 6.759 5.869 5.104 4.438 3.852 3.331 2.862 2.435 2.043 1.677 1.333 1.006 0.683 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.063 7.827 6.781 5.890 5.124 4.458 3.872 3.350 2.882 2.456 2.065 1.702 1.363 1.041 0.712 3.237 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.085 7.849 6.802 5.911 5.145 4.478 3.891 3.370 2.901 2.476 2.087 1.727 1.391 1.076 0.753 1.524 2.269 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.107 7.871 6.824 5.932 5.165 4.497 3.910 3.389 2.921 2.496 2.108 1.751 1.419 1.110 0.798 1.117 1.385 1.861 2.568 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.128 7.892 6.845 5.952 5.184 4.516 3.929 3.408 2.940 2.516 2.129 1.774 1.446 1.142 0.842 0.938 1.056 1.269 1.607 2.075 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.148 7.914 6.866 5.972 5.204 4.535 3.948 3.426 2.959 2.535 2.150 1.796 1.472 1.173 0.885 0.840 0.890 0.993 1.165 1.420 1.755 2.140 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.169 7.935 6.886 5.992 5.223 4.554 3.966 3.445 2.977 2.554 2.169 1.818 1.496 1.202 0.924 0.781 0.794 0.840 0.929 1.070 1.269 1.521 1.810 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.189 7.956 6.907 6.012 5.242 4.573 3.985 3.463 2.995 2.573 2.189 1.838 1.519 1.229 0.960 0.745 0.734 0.747 0.789 0.866 0.982 1.140 1.337 1.561 1.799 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.209 7.976 6.927 6.031 5.261 4.591 4.003 3.481 3.013 2.591 2.208 1.858 1.541 1.254 0.992 0.722 0.696 0.687 0.699 0.736 0.802 0.899 1.027 1.184 1.363 1.555 1.750 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.229 7.997 6.947 6.050 5.279 4.609 4.020 3.498 3.031 2.609 2.226 1.878 1.562 1.277 1.020 0.709 0.671 0.648 0.640 0.651 0.683 0.739 0.819 0.925 1.052 1.198 1.356 1.521 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.249 8.017 6.966 6.069 5.298 4.627 4.038 3.516 3.048 2.627 2.244 1.897 1.582 1.298 1.045 0.702 0.656 0.622 0.600 0.593 0.602 0.630 0.677 0.744 0.831 0.937 1.057 1.189 1.329 1.474 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.268 8.037 6.986 6.088 5.316 4.644 4.055 3.533 3.065 2.644 2.262 1.915 1.601 1.318 1.067 0.700 0.648 0.605 0.573 0.553 0.546 0.553 0.576 0.616 0.672 0.745 0.833 0.934 1.045 1.166 1.292 99999.999 99999.999 99999.999 99999.999 99999.999 9.287 8.056 7.005 6.107 5.334 4.662 4.072 3.550 3.082 2.661 2.279 1.933 1.619 1.337 1.086 0.702 0.644 0.595 0.555 0.525 0.506 0.498 0.504 0.522 0.556 0.603 0.664 0.738 0.823 0.919 1.023 1.134 1.252 99999.999 99999.999 99999.999 9.306 8.076 7.024 6.125 5.351 4.679 4.089 3.566 3.099 2.678 2.296 1.950 1.636 1.354 1.103 0.706 0.645 0.591 0.544 0.507 0.478 0.459 0.451 0.454 0.469 0.497 0.536 0.588 0.651 0.724 0.806 0.897 0.995 1.100 99999.999 99999.999 9.324 8.095 7.043 6.143 5.369 4.696 4.106 3.583 3.115 2.695 2.313 1.967 1.653 1.370 1.118 0.712 0.647 0.589 0.538 0.495 0.459 0.431 0.413 0.404 0.405 0.417 0.439 0.473 0.516 0.570 0.632 0.704 0.783 0.870 0.963 1.064 9.343 8.114 7.061 6.161 5.386 4.713 4.122 3.599 3.132 2.711 2.330 1.984 1.670 1.386 1.133 0.719 0.652 0.591 0.536 0.488 0.446 0.412 0.385 0.367 0.357 0.356 0.365 0.383 0.411 0.448 0.493 0.547 0.609 0.679 0.756 0.839 9.516 8.295 7.238 6.332 5.551 4.873 4.278 3.753 3.284 2.864 2.484 2.140 1.826 1.540 1.281 0.834 0.755 0.680 0.608 0.540 0.475 0.413 0.354 0.299 0.246 0.198 0.152 0.110 0.071 0.036 0.004 -0.025 -0.050 -0.071 -0.089 -0.104 9.674 8.461 7.401 6.490 5.703 5.019 4.421 3.892 3.423 3.002 2.623 2.279 1.966 1.681 1.420 0.965 0.884 0.805 0.730 0.656 0.586 0.518 0.452 0.389 0.328 0.269 0.212 0.157 0.104 0.053 0.004 -0.043 -0.088 -0.132 -0.174 -0.214 9.819 8.615 7.553 6.637 5.845 5.156 4.553 4.021 3.550 3.128 2.748 2.405 2.093 1.809 1.549 1.092 1.010 0.931 0.854 0.779 0.707 0.637 0.570 0.504 0.440 0.379 0.319 0.260 0.204 0.148 0.095 0.042 -0.009 -0.059 -0.107 -0.155 9.955 8.760 7.697 6.776 5.978 5.284 4.677 4.142 3.668 3.245 2.865 2.521 2.210 1.926 1.667 1.211 1.129 1.049 0.972 0.897 0.825 0.755 0.687 0.620 0.556 0.493 0.433 0.373 0.316 0.259 0.204 0.150 0.098 0.046 -0.004 -0.054 10.082 8.897 7.833 6.907 6.105 5.407 4.795 4.257 3.779 3.354 2.973 2.629 2.318 2.035 1.776 1.321 1.239 1.160 1.083 1.008 0.936 0.866 0.798 0.732 0.667 0.605 0.544 0.484 0.426 0.370 0.315 0.261 0.208 0.156 0.106 0.056 10.203 9.029 7.963 7.033 6.226 5.523 4.908 4.366 3.885 3.458 3.075 2.731 2.419 2.136 1.878 1.424 1.343 1.263 1.187 1.112 1.040 0.970 0.902 0.836 0.772 0.710 0.649 0.590 0.532 0.476 0.421 0.367 0.315 0.263 0.213 0.163 10.319 9.155 8.088 7.155 6.343 5.635 5.016 4.470 3.987 3.557 3.172 2.827 2.515 2.231 1.973 1.521 1.439 1.360 1.284 1.209 1.138 1.068 1.000 0.935 0.871 0.809 0.748 0.689 0.632 0.576 0.521 0.468 0.416 0.365 0.315 0.266 99999.999 9.277 8.209 7.272 6.456 5.744 5.120 4.571 4.085 3.652 3.266 2.918 2.605 2.322 2.063 1.611 1.530 1.451 1.375 1.301 1.229 1.160 1.092 1.027 0.963 0.901 0.841 0.783 0.726 0.670 0.616 0.563 0.511 0.460 0.410 0.362 TmO+ TmO+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 3 -2.000 1 1.000 2 1.000 63 18.231 15.897 13.989 12.401 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.231 15.897 13.989 12.401 11.061 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.232 15.898 13.989 12.402 11.061 9.915 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.233 15.899 13.991 12.403 11.063 9.916 8.922 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.235 15.901 13.993 12.405 11.065 9.918 8.924 8.052 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.239 15.905 13.996 12.408 11.068 9.921 8.927 8.055 7.280 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.244 15.910 14.001 12.413 11.073 9.926 8.932 8.060 7.286 6.588 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.252 15.918 14.009 12.421 11.080 9.933 8.940 8.068 7.294 6.597 5.956 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.262 15.928 14.019 12.431 11.090 9.943 8.950 8.078 7.305 6.608 5.970 5.371 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.276 15.942 14.032 12.444 11.103 9.956 8.963 8.092 7.319 6.624 5.987 5.392 4.830 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.293 15.960 14.050 12.461 11.120 9.973 8.980 8.110 7.338 6.644 6.010 5.419 4.861 4.355 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.316 15.983 14.072 12.483 11.141 9.994 9.002 8.132 7.362 6.670 6.039 5.454 4.901 4.385 4.025 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.333 16.000 14.090 12.500 11.158 10.011 9.018 8.149 7.380 6.689 6.061 5.480 4.933 4.417 3.947 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.358 16.025 14.114 12.524 11.181 10.034 9.042 8.174 7.405 6.717 6.092 5.517 4.979 4.469 3.954 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.382 16.050 14.138 12.547 11.204 10.057 9.065 8.198 7.430 6.744 6.122 5.552 5.023 4.522 4.007 7.565 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.406 16.074 14.162 12.570 11.227 10.080 9.088 8.221 7.455 6.770 6.152 5.587 5.065 4.576 4.074 5.158 6.199 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.430 16.098 14.186 12.593 11.250 10.102 9.111 8.244 7.479 6.796 6.180 5.620 5.106 4.628 4.146 4.586 4.958 5.620 6.589 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.453 16.122 14.209 12.616 11.272 10.124 9.133 8.267 7.502 6.821 6.208 5.652 5.145 4.677 4.216 4.336 4.497 4.791 5.260 5.900 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.476 16.146 14.232 12.638 11.294 10.146 9.155 8.289 7.526 6.846 6.235 5.683 5.182 4.724 4.283 4.201 4.267 4.407 4.644 4.995 5.452 5.969 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.499 16.169 14.255 12.661 11.316 10.168 9.176 8.311 7.548 6.870 6.261 5.712 5.216 4.767 4.344 4.121 4.135 4.196 4.317 4.510 4.783 5.126 5.515 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.521 16.192 14.277 12.682 11.337 10.189 9.198 8.333 7.571 6.893 6.286 5.741 5.249 4.807 4.399 4.073 4.054 4.068 4.124 4.228 4.387 4.604 4.871 5.173 5.487 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.543 16.214 14.299 12.704 11.358 10.210 9.219 8.354 7.593 6.916 6.311 5.768 5.280 4.844 4.448 4.045 4.004 3.988 4.002 4.051 4.140 4.272 4.447 4.661 4.902 5.158 5.414 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.565 16.236 14.321 12.725 11.379 10.230 9.239 8.375 7.615 6.939 6.335 5.794 5.310 4.877 4.491 4.029 3.972 3.936 3.923 3.936 3.978 4.054 4.164 4.308 4.482 4.679 4.890 5.109 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.586 16.258 14.343 12.746 11.400 10.251 9.260 8.396 7.636 6.961 6.359 5.820 5.337 4.908 4.529 4.022 3.954 3.903 3.870 3.858 3.869 3.906 3.970 4.063 4.182 4.326 4.490 4.668 4.856 5.049 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.608 16.280 14.364 12.767 11.420 10.271 9.280 8.416 7.657 6.983 6.382 5.844 5.363 4.937 4.561 4.022 3.945 3.883 3.836 3.806 3.794 3.803 3.835 3.889 3.967 4.067 4.188 4.326 4.478 4.641 4.812 99999.999 99999.999 99999.999 99999.999 99999.999 18.629 16.302 14.385 12.788 11.440 10.291 9.300 8.437 7.678 7.005 6.405 5.868 5.388 4.963 4.589 4.026 3.943 3.872 3.814 3.771 3.742 3.731 3.738 3.765 3.811 3.876 3.961 4.064 4.182 4.313 4.456 4.608 4.770 99999.999 99999.999 99999.999 18.649 16.323 14.406 12.808 11.460 10.310 9.319 8.456 7.698 7.026 6.427 5.891 5.412 4.987 4.614 4.033 3.945 3.868 3.802 3.748 3.707 3.681 3.669 3.674 3.696 3.735 3.791 3.863 3.951 4.053 4.167 4.294 4.430 4.576 99999.999 99999.999 18.670 16.344 14.427 12.828 11.480 10.330 9.339 8.476 7.718 7.047 6.448 5.913 5.435 5.010 4.636 4.044 3.952 3.869 3.796 3.734 3.684 3.645 3.620 3.609 3.611 3.629 3.662 3.709 3.771 3.847 3.936 4.037 4.149 4.271 4.404 4.546 18.690 16.365 14.447 12.848 11.500 10.349 9.358 8.496 7.738 7.067 6.470 5.935 5.458 5.033 4.658 4.056 3.961 3.874 3.796 3.728 3.669 3.622 3.585 3.561 3.549 3.550 3.564 3.591 3.632 3.685 3.751 3.829 3.919 4.018 4.129 4.249 18.880 16.563 14.642 13.038 11.685 10.531 9.539 8.677 7.923 7.258 6.667 6.139 5.667 5.244 4.866 4.230 4.120 4.016 3.917 3.824 3.735 3.652 3.573 3.500 3.432 3.368 3.309 3.256 3.207 3.164 3.126 3.092 3.064 3.042 3.024 3.011 19.053 16.744 14.821 13.213 11.855 10.697 9.703 8.841 8.089 7.427 6.840 6.318 5.851 5.433 5.058 4.420 4.308 4.201 4.098 4.000 3.906 3.816 3.730 3.648 3.569 3.493 3.421 3.352 3.286 3.223 3.163 3.106 3.052 3.000 2.950 2.904 19.211 16.912 14.988 13.375 12.012 10.852 9.854 8.992 8.239 7.579 6.996 6.479 6.016 5.603 5.232 4.599 4.488 4.381 4.278 4.180 4.085 3.994 3.907 3.823 3.742 3.664 3.589 3.517 3.447 3.380 3.315 3.252 3.191 3.132 3.075 3.020 19.358 17.070 15.144 13.527 12.161 10.996 9.996 9.132 8.379 7.720 7.139 6.624 6.166 5.756 5.390 4.764 4.654 4.548 4.446 4.349 4.255 4.165 4.078 3.995 3.914 3.837 3.762 3.689 3.619 3.552 3.486 3.423 3.361 3.301 3.243 3.186 19.495 17.219 15.292 13.672 12.301 11.133 10.130 9.263 8.510 7.850 7.271 6.758 6.303 5.897 5.533 4.915 4.806 4.701 4.601 4.505 4.412 4.323 4.238 4.155 4.076 4.000 3.926 3.854 3.785 3.719 3.654 3.591 3.531 3.471 3.414 3.358 19.626 17.361 15.434 13.810 12.435 11.263 10.257 9.388 8.633 7.973 7.394 6.883 6.429 6.026 5.666 5.054 4.946 4.843 4.744 4.649 4.558 4.470 4.386 4.305 4.226 4.151 4.078 4.008 3.941 3.875 3.812 3.751 3.691 3.633 3.577 3.522 19.751 17.498 15.570 13.943 12.564 11.388 10.379 9.507 8.750 8.089 7.510 6.999 6.548 6.146 5.789 5.182 5.076 4.974 4.876 4.782 4.692 4.605 4.522 4.442 4.365 4.291 4.220 4.151 4.085 4.021 3.958 3.898 3.840 3.784 3.729 3.676 99999.999 17.630 15.701 14.070 12.688 11.509 10.496 9.622 8.863 8.200 7.620 7.110 6.659 6.259 5.903 5.301 5.196 5.095 4.998 4.906 4.817 4.731 4.649 4.570 4.494 4.421 4.351 4.283 4.218 4.155 4.094 4.035 3.978 3.923 3.869 3.817 TmO2H,aq TmO2H(AQ) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 3.000 Ref: Shock07 3 -3.000 1 2.000 2 1.000 63 27.669 24.171 21.366 19.075 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.669 24.171 21.366 19.075 17.176 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.670 24.172 21.367 19.076 17.177 15.583 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.671 24.173 21.368 19.077 17.178 15.584 14.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.673 24.175 21.370 19.079 17.180 15.586 14.232 13.069 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.676 24.178 21.374 19.082 17.184 15.590 14.236 13.072 12.061 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.681 24.183 21.378 19.087 17.188 15.594 14.241 13.078 12.067 11.175 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.687 24.190 21.385 19.094 17.195 15.601 14.248 13.085 12.075 11.184 10.383 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.696 24.200 21.395 19.103 17.205 15.611 14.258 13.096 12.086 11.197 10.398 9.662 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.708 24.212 21.407 19.116 17.217 15.624 14.271 13.109 12.101 11.213 10.417 9.686 9.005 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.723 24.228 21.424 19.132 17.233 15.640 14.288 13.127 12.120 11.235 10.442 9.718 9.042 8.432 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.743 24.249 21.444 19.153 17.254 15.661 14.309 13.150 12.144 11.262 10.474 9.757 9.091 8.471 8.019 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.758 24.265 21.460 19.168 17.269 15.676 14.325 13.167 12.163 11.282 10.498 9.787 9.128 8.511 7.938 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.779 24.287 21.483 19.191 17.291 15.699 14.348 13.191 12.189 11.311 10.532 9.828 9.181 8.575 7.958 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.799 24.309 21.505 19.212 17.313 15.721 14.371 13.215 12.214 11.339 10.564 9.868 9.233 8.640 8.028 12.161 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.819 24.331 21.526 19.234 17.334 15.742 14.393 13.238 12.239 11.366 10.595 9.906 9.282 8.705 8.114 9.426 10.619 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.839 24.352 21.548 19.255 17.355 15.763 14.415 13.261 12.263 11.393 10.625 9.943 9.328 8.767 8.203 8.774 9.208 9.970 11.063 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.858 24.373 21.568 19.276 17.376 15.784 14.436 13.283 12.287 11.418 10.655 9.977 9.372 8.825 8.290 8.488 8.683 9.030 9.571 10.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.877 24.393 21.589 19.296 17.396 15.804 14.457 13.304 12.310 11.443 10.683 10.011 9.414 8.880 8.371 8.335 8.421 8.593 8.875 9.284 9.808 10.389 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.896 24.413 21.609 19.316 17.416 15.824 14.477 13.326 12.332 11.468 10.710 10.043 9.453 8.930 8.445 8.245 8.272 8.354 8.504 8.737 9.058 9.455 9.898 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.914 24.433 21.629 19.335 17.436 15.844 14.497 13.347 12.354 11.492 10.737 10.073 9.489 8.976 8.511 8.190 8.180 8.209 8.286 8.418 8.612 8.870 9.184 9.532 9.890 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.931 24.452 21.648 19.355 17.455 15.863 14.517 13.367 12.376 11.515 10.762 10.102 9.523 9.018 8.569 8.158 8.123 8.118 8.148 8.218 8.334 8.498 8.710 8.964 9.247 9.544 9.838 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.949 24.471 21.667 19.374 17.474 15.882 14.536 13.387 12.397 11.537 10.787 10.130 9.555 9.056 8.619 8.140 8.088 8.060 8.058 8.088 8.151 8.253 8.393 8.571 8.782 9.017 9.268 9.523 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.966 24.490 21.686 19.392 17.492 15.901 14.555 13.407 12.418 11.560 10.811 10.156 9.585 9.090 8.663 8.132 8.067 8.022 7.999 8.000 8.029 8.086 8.176 8.297 8.448 8.627 8.827 9.042 9.267 9.497 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.983 24.508 21.705 19.411 17.510 15.919 14.574 13.426 12.438 11.581 10.834 10.182 9.613 9.121 8.699 8.131 8.057 7.999 7.960 7.941 7.944 7.971 8.024 8.102 8.208 8.339 8.492 8.665 8.854 9.054 9.263 99999.999 99999.999 99999.999 99999.999 99999.999 27.999 24.526 21.723 19.429 17.528 15.937 14.592 13.445 12.458 11.602 10.857 10.206 9.639 9.149 8.731 8.135 8.054 7.987 7.936 7.902 7.886 7.890 7.916 7.963 8.033 8.126 8.241 8.375 8.527 8.694 8.874 9.064 9.265 99999.999 99999.999 99999.999 28.015 24.544 21.741 19.447 17.546 15.955 14.610 13.463 12.477 11.623 10.879 10.230 9.664 9.175 8.758 8.143 8.056 7.982 7.922 7.876 7.846 7.833 7.838 7.862 7.905 7.968 8.051 8.152 8.271 8.407 8.556 8.719 8.894 9.080 99999.999 99999.999 28.031 24.562 21.759 19.464 17.564 15.972 14.628 13.482 12.496 11.643 10.901 10.252 9.688 9.199 8.782 8.154 8.063 7.983 7.915 7.861 7.820 7.794 7.783 7.789 7.811 7.850 7.907 7.981 8.072 8.179 8.301 8.436 8.585 8.746 8.919 9.104 28.047 24.579 21.776 19.482 17.581 15.990 14.645 13.500 12.515 11.663 10.922 10.275 9.711 9.223 8.805 8.168 8.072 7.988 7.914 7.853 7.804 7.767 7.744 7.736 7.741 7.762 7.798 7.850 7.917 7.999 8.096 8.207 8.331 8.467 8.616 8.776 28.187 24.738 21.938 19.643 17.740 16.149 14.806 13.664 12.687 11.844 11.113 10.476 9.922 9.439 9.021 8.351 8.241 8.139 8.043 7.955 7.873 7.798 7.729 7.666 7.610 7.560 7.516 7.479 7.447 7.422 7.403 7.390 7.384 7.384 7.390 7.402 28.306 24.876 22.081 19.785 17.881 16.289 14.947 13.807 12.834 11.998 11.275 10.647 10.102 9.627 9.214 8.548 8.436 8.332 8.233 8.141 8.054 7.972 7.896 7.824 7.757 7.695 7.637 7.583 7.533 7.487 7.445 7.406 7.371 7.339 7.310 7.285 28.408 24.999 22.208 19.912 18.007 16.414 15.072 13.934 12.964 12.132 11.415 10.795 10.257 9.790 9.384 8.728 8.618 8.515 8.417 8.325 8.239 8.157 8.080 8.008 7.940 7.876 7.816 7.759 7.706 7.656 7.609 7.565 7.524 7.485 7.448 7.414 28.496 25.109 22.323 20.028 18.122 16.528 15.185 14.048 13.079 12.251 11.539 10.924 10.393 9.933 9.534 8.890 8.782 8.681 8.585 8.495 8.410 8.330 8.255 8.184 8.117 8.055 7.995 7.940 7.887 7.838 7.791 7.747 7.706 7.666 7.629 7.594 28.573 25.210 22.429 20.134 18.227 16.632 15.289 14.152 13.185 12.358 11.649 11.040 10.514 10.059 9.667 9.034 8.929 8.830 8.736 8.648 8.566 8.488 8.414 8.346 8.281 8.220 8.163 8.109 8.058 8.011 7.966 7.923 7.884 7.846 7.810 7.777 28.642 25.302 22.527 20.233 18.325 16.729 15.385 14.248 13.281 12.456 11.750 11.144 10.622 10.173 9.785 9.164 9.061 8.964 8.872 8.786 8.706 8.630 8.559 8.492 8.429 8.370 8.315 8.263 8.215 8.169 8.126 8.086 8.049 8.013 7.980 7.948 28.704 25.388 22.618 20.325 18.417 16.820 15.475 14.337 13.371 12.547 11.842 11.239 10.721 10.275 9.892 9.281 9.179 9.084 8.995 8.911 8.832 8.758 8.689 8.624 8.563 8.507 8.453 8.404 8.357 8.313 8.273 8.235 8.199 8.166 8.134 8.105 99999.999 25.469 22.704 20.412 18.503 16.905 15.560 14.421 13.455 12.631 11.928 11.326 10.811 10.369 9.990 9.387 9.287 9.194 9.106 9.024 8.947 8.875 8.807 8.744 8.685 8.630 8.579 8.531 8.486 8.444 8.405 8.369 8.335 8.304 8.274 8.247 TmO2- TmO2- P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 4.000 Ref: Shock07 3 -4.000 1 2.000 2 1.000 63 36.714 32.674 29.381 26.653 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.714 32.674 29.381 26.653 24.363 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.715 32.675 29.382 26.654 24.364 22.421 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.716 32.676 29.383 26.655 24.365 22.422 20.757 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.717 32.678 29.385 26.656 24.366 22.423 20.759 19.321 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.720 32.680 29.387 26.659 24.369 22.426 20.761 19.324 18.074 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.724 32.685 29.392 26.663 24.373 22.430 20.765 19.327 18.078 16.985 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.730 32.691 29.398 26.669 24.379 22.435 20.771 19.333 18.083 16.990 16.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.738 32.699 29.406 26.677 24.387 22.443 20.778 19.340 18.091 16.998 16.036 15.191 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.748 32.710 29.417 26.688 24.397 22.453 20.788 19.350 18.100 17.008 16.046 15.200 14.474 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.762 32.725 29.432 26.702 24.411 22.466 20.801 19.363 18.113 17.020 16.059 15.213 14.481 13.927 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.779 32.743 29.450 26.720 24.428 22.483 20.817 19.379 18.129 17.037 16.076 15.230 14.493 13.897 13.715 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.792 32.757 29.464 26.733 24.441 22.496 20.830 19.392 18.142 17.049 16.089 15.244 14.506 13.891 13.504 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.810 32.777 29.484 26.752 24.459 22.514 20.848 19.409 18.159 17.067 16.107 15.263 14.525 13.897 13.397 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.828 32.797 29.503 26.771 24.478 22.532 20.865 19.427 18.177 17.084 16.125 15.283 14.546 13.913 13.370 18.939 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.846 32.816 29.522 26.790 24.496 22.549 20.882 19.444 18.193 17.101 16.143 15.302 14.567 13.934 13.377 15.148 16.851 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.863 32.835 29.541 26.808 24.513 22.566 20.899 19.460 18.210 17.118 16.160 15.321 14.588 13.956 13.399 14.197 14.850 15.974 17.645 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.880 32.853 29.559 26.826 24.530 22.583 20.915 19.476 18.226 17.134 16.177 15.339 14.608 13.979 13.427 13.744 14.065 14.602 15.428 16.565 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.896 32.871 29.577 26.843 24.547 22.599 20.932 19.492 18.242 17.150 16.193 15.356 14.627 14.001 13.456 13.473 13.641 13.931 14.382 15.027 15.867 16.847 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.913 32.889 29.595 26.861 24.564 22.616 20.947 19.508 18.257 17.165 16.209 15.373 14.646 14.022 13.484 13.293 13.374 13.536 13.798 14.182 14.704 15.358 16.114 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.928 32.906 29.612 26.878 24.580 22.631 20.963 19.523 18.273 17.181 16.225 15.389 14.663 14.041 13.510 13.165 13.191 13.275 13.428 13.665 13.996 14.429 14.958 15.562 16.209 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.944 32.924 29.629 26.894 24.597 22.647 20.978 19.538 18.288 17.196 16.240 15.405 14.679 14.058 13.532 13.070 13.058 13.091 13.176 13.320 13.534 13.822 14.189 14.627 15.123 15.658 16.208 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.959 32.941 29.646 26.911 24.613 22.663 20.993 19.553 18.302 17.210 16.255 15.419 14.694 14.073 13.550 12.997 12.959 12.956 12.993 13.076 13.211 13.404 13.658 13.972 14.343 14.760 15.210 15.680 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.974 32.957 29.663 26.927 24.628 22.678 21.008 19.568 18.317 17.225 16.269 15.434 14.708 14.086 13.564 12.941 12.882 12.853 12.856 12.896 12.977 13.103 13.277 13.502 13.775 14.093 14.450 14.835 15.241 15.658 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.989 32.973 29.679 26.943 24.644 22.693 21.023 19.582 18.331 17.239 16.283 15.447 14.721 14.098 13.574 12.897 12.822 12.772 12.750 12.758 12.800 12.878 12.995 13.153 13.353 13.593 13.870 14.178 14.513 14.868 15.235 99999.999 99999.999 99999.999 99999.999 99999.999 37.003 32.989 29.695 26.958 24.659 22.707 21.037 19.596 18.345 17.253 16.297 15.461 14.733 14.108 13.582 12.862 12.774 12.709 12.667 12.651 12.663 12.705 12.780 12.888 13.032 13.210 13.423 13.666 13.937 14.231 14.544 14.870 15.208 99999.999 99999.999 99999.999 37.017 33.005 29.711 26.974 24.674 22.722 21.051 19.610 18.359 17.267 16.310 15.473 14.745 14.117 13.587 12.834 12.736 12.658 12.601 12.566 12.555 12.569 12.611 12.682 12.783 12.914 13.074 13.264 13.480 13.720 13.980 14.258 14.550 14.854 99999.999 99999.999 37.031 33.021 29.727 26.989 24.688 22.736 21.065 19.624 18.372 17.280 16.323 15.486 14.756 14.125 13.591 12.812 12.706 12.617 12.547 12.497 12.468 12.461 12.477 12.519 12.586 12.679 12.798 12.944 13.114 13.307 13.521 13.753 14.002 14.264 14.538 14.823 37.045 33.036 29.742 27.004 24.703 22.750 21.079 19.637 18.386 17.293 16.336 15.498 14.766 14.133 13.594 12.795 12.681 12.583 12.503 12.441 12.397 12.373 12.369 12.387 12.427 12.490 12.577 12.686 12.818 12.971 13.145 13.337 13.546 13.769 14.006 14.254 37.169 33.177 29.885 27.143 24.837 22.880 21.205 19.761 18.508 17.415 16.456 15.614 14.874 14.225 13.659 12.750 12.601 12.462 12.334 12.216 12.108 12.010 11.921 11.842 11.772 11.712 11.661 11.620 11.588 11.565 11.552 11.547 11.551 11.564 11.586 11.615 37.274 33.301 30.010 27.266 24.956 22.995 21.316 19.870 18.615 17.521 16.562 15.718 14.975 14.320 13.744 12.795 12.635 12.484 12.341 12.206 12.079 11.960 11.849 11.744 11.647 11.556 11.472 11.394 11.322 11.256 11.196 11.141 11.092 11.047 11.008 10.973 37.365 33.411 30.123 27.377 25.064 23.098 21.416 19.967 18.710 17.615 16.655 15.811 15.067 14.409 13.829 12.864 12.698 12.541 12.392 12.251 12.117 11.989 11.869 11.755 11.647 11.544 11.448 11.356 11.270 11.189 11.112 11.040 10.972 10.908 10.848 10.791 37.444 33.510 30.226 27.478 25.162 23.193 21.507 20.055 18.796 17.699 16.739 15.895 15.150 14.492 13.909 12.936 12.768 12.609 12.457 12.312 12.174 12.043 11.919 11.800 11.687 11.580 11.478 11.381 11.288 11.200 11.117 11.037 10.961 10.889 10.821 10.755 37.514 33.601 30.320 27.571 25.252 23.280 21.591 20.136 18.875 17.777 16.815 15.971 15.226 14.567 13.983 13.007 12.838 12.677 12.524 12.378 12.238 12.105 11.979 11.858 11.743 11.633 11.528 11.428 11.333 11.242 11.155 11.072 10.993 10.917 10.844 10.775 37.576 33.684 30.408 27.658 25.336 23.361 21.670 20.212 18.949 17.848 16.886 16.040 15.295 14.636 14.052 13.074 12.905 12.744 12.589 12.442 12.302 12.168 12.040 11.918 11.802 11.691 11.585 11.483 11.387 11.294 11.206 11.121 11.040 10.963 10.889 10.818 37.633 33.763 30.490 27.740 25.416 23.438 21.743 20.283 19.017 17.915 16.951 16.105 15.359 14.700 14.116 13.138 12.968 12.806 12.652 12.504 12.364 12.229 12.101 11.978 11.861 11.750 11.643 11.541 11.443 11.350 11.261 11.175 11.094 11.015 10.941 10.869 99999.999 33.836 30.568 27.817 25.491 23.511 21.813 20.350 19.082 17.978 17.012 16.165 15.419 14.759 14.175 13.197 13.027 12.865 12.711 12.563 12.422 12.287 12.159 12.036 11.919 11.807 11.699 11.597 11.499 11.405 11.316 11.230 11.148 11.070 10.994 10.922 TmNO3+2 TmNO3+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 6 -1.000 1 -1.000 2 -1.000 6 1.000 63 1.000 32 1.000 4 93.152 85.243 78.403 72.447 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.152 85.243 78.403 72.447 67.212 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.153 85.244 78.404 72.447 67.213 62.569 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.155 85.246 78.405 72.449 67.214 62.570 58.413 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.159 85.249 78.408 72.452 67.217 62.573 58.416 54.663 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.164 85.253 78.412 72.456 67.221 62.577 58.420 54.667 51.251 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.172 85.260 78.419 72.462 67.227 62.583 58.426 54.674 51.258 48.120 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.183 85.270 78.428 72.471 67.235 62.591 58.435 54.683 51.268 48.132 45.221 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.199 85.284 78.441 72.483 67.247 62.603 58.447 54.696 51.282 48.148 45.240 42.505 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.219 85.302 78.457 72.499 67.263 62.619 58.464 54.713 51.301 48.169 45.265 42.538 39.932 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.246 85.325 78.479 72.520 67.283 62.639 58.485 54.736 51.325 48.196 45.298 42.580 39.990 37.455 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.280 85.356 78.507 72.546 67.309 62.666 58.511 54.764 51.356 48.231 45.338 42.631 40.061 37.562 34.975 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.306 85.379 78.528 72.567 67.329 62.686 58.532 54.785 51.379 48.257 45.369 42.670 40.113 37.639 35.111 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.343 85.411 78.559 72.596 67.358 62.714 58.561 54.816 51.412 48.293 45.411 42.723 40.183 37.741 35.282 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.379 85.443 78.589 72.624 67.385 62.742 58.589 54.846 51.444 48.328 45.452 42.773 40.249 37.834 35.432 31.119 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.415 85.475 78.618 72.652 67.413 62.769 58.617 54.875 51.475 48.363 45.492 42.821 40.312 37.920 35.567 31.566 30.601 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.450 85.506 78.647 72.680 67.440 62.796 58.645 54.903 51.506 48.397 45.530 42.867 40.370 38.000 35.688 31.729 30.885 29.983 28.925 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.485 85.537 78.675 72.707 67.466 62.822 58.672 54.931 51.535 48.429 45.568 42.912 40.426 38.074 35.798 31.852 31.044 30.222 29.361 28.415 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.519 85.567 78.703 72.734 67.492 62.848 58.698 54.959 51.565 48.461 45.604 42.954 40.478 38.143 35.898 31.956 31.168 30.378 29.576 28.748 27.868 26.912 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.552 85.597 78.731 72.760 67.518 62.874 58.724 54.986 51.594 48.493 45.639 42.995 40.528 38.207 35.989 32.048 31.273 30.501 29.729 28.948 28.148 27.316 26.438 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.585 85.626 78.758 72.786 67.544 62.899 58.750 55.013 51.622 48.523 45.673 43.034 40.575 38.266 36.070 32.131 31.366 30.607 29.853 29.098 28.337 27.564 26.770 25.948 25.096 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.618 85.655 78.785 72.812 67.569 62.924 58.775 55.039 51.649 48.553 45.706 43.071 40.619 38.321 36.144 32.208 31.451 30.702 29.959 29.221 28.484 27.743 26.994 26.233 25.455 24.660 23.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.650 85.684 78.812 72.837 67.593 62.949 58.800 55.065 51.676 48.582 45.738 43.108 40.661 38.372 36.211 32.280 31.528 30.787 30.055 29.328 28.606 27.886 27.165 26.439 25.707 24.966 24.217 23.461 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.681 85.712 78.838 72.862 67.618 62.973 58.825 55.090 51.703 48.611 45.769 43.143 40.702 38.420 36.272 32.347 31.601 30.866 30.141 29.424 28.714 28.008 27.305 26.603 25.900 25.194 24.485 23.773 23.060 22.349 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.712 85.740 78.864 72.887 67.642 62.997 58.849 55.115 51.729 48.639 45.800 43.177 40.740 38.465 36.327 32.410 31.669 30.940 30.221 29.512 28.810 28.115 27.426 26.740 26.056 25.374 24.693 24.012 23.332 22.656 21.985 99999.999 99999.999 99999.999 99999.999 99999.999 93.743 85.767 78.889 72.911 67.665 63.020 58.873 55.139 51.755 48.666 45.829 43.209 40.777 38.507 36.377 32.470 31.733 31.008 30.295 29.592 28.898 28.212 27.533 26.859 26.190 25.525 24.863 24.204 23.548 22.897 22.252 21.614 20.986 99999.999 99999.999 99999.999 93.773 85.794 78.915 72.935 67.689 63.044 58.896 55.164 51.780 48.693 45.858 43.241 40.812 38.547 36.423 32.527 31.794 31.074 30.365 29.667 28.980 28.301 27.629 26.965 26.307 25.655 25.008 24.365 23.727 23.095 22.469 21.851 21.242 20.643 99999.999 99999.999 93.803 85.821 78.939 72.959 67.712 63.067 58.919 55.187 51.805 48.719 45.887 43.272 40.847 38.585 36.466 32.582 31.852 31.135 30.431 29.738 29.056 28.383 27.718 27.062 26.413 25.770 25.134 24.504 23.880 23.262 22.651 22.048 21.454 20.870 20.297 19.737 93.832 85.847 78.964 72.982 67.735 63.089 58.942 55.211 51.830 48.745 45.915 43.303 40.880 38.622 36.507 32.634 31.907 31.194 30.494 29.805 29.127 28.459 27.801 27.151 26.509 25.875 25.248 24.627 24.014 23.408 22.809 22.218 21.635 21.063 20.501 19.950 94.105 86.093 79.194 73.202 67.948 63.301 59.155 55.428 52.055 48.983 46.168 43.575 41.176 38.945 36.862 33.071 32.364 31.673 30.997 30.334 29.685 29.047 28.422 27.808 27.205 26.612 26.029 25.456 24.891 24.336 23.790 23.252 22.723 22.202 21.690 21.186 94.345 86.312 79.399 73.399 68.140 63.489 59.343 55.620 52.253 49.189 46.385 43.806 41.422 39.210 37.148 33.407 32.713 32.034 31.371 30.722 30.087 29.466 28.856 28.259 27.674 27.099 26.536 25.982 25.438 24.904 24.379 23.863 23.355 22.856 22.364 21.881 94.560 86.510 79.585 73.577 68.313 63.660 59.514 55.792 52.429 49.371 46.575 44.006 41.635 39.436 37.389 33.685 32.998 32.328 31.674 31.034 30.408 29.797 29.198 28.611 28.037 27.474 26.922 26.381 25.849 25.328 24.816 24.312 23.818 23.332 22.854 22.384 94.754 86.689 79.755 73.740 68.472 63.816 59.669 55.948 52.588 49.535 46.745 44.184 41.821 39.633 37.598 33.921 33.240 32.577 31.928 31.295 30.677 30.072 29.481 28.902 28.335 27.780 27.236 26.703 26.181 25.668 25.165 24.671 24.186 23.709 23.241 22.780 94.931 86.854 79.911 73.890 68.618 63.960 59.812 56.092 52.733 49.683 46.899 44.344 41.988 39.808 37.783 34.127 33.451 32.792 32.149 31.521 30.908 30.308 29.722 29.149 28.589 28.040 27.502 26.975 26.459 25.953 25.456 24.969 24.491 24.021 23.560 23.106 95.094 87.007 80.056 74.030 68.754 64.094 59.945 56.225 52.868 49.820 47.039 44.489 42.139 39.966 37.948 34.310 33.638 32.982 32.343 31.719 31.110 30.515 29.934 29.365 28.809 28.264 27.731 27.210 26.698 26.197 25.706 25.224 24.751 24.286 23.831 23.383 95.245 87.149 80.191 74.159 68.880 64.218 60.068 56.348 52.992 49.946 47.168 44.622 42.277 40.109 38.098 34.474 33.805 33.153 32.517 31.896 31.290 30.699 30.121 29.556 29.003 28.463 27.933 27.415 26.908 26.411 25.923 25.446 24.977 24.517 24.065 23.621 99999.999 87.282 80.317 74.281 68.999 64.335 60.184 56.464 53.108 50.064 47.288 44.745 42.404 40.241 38.234 34.622 33.956 33.306 32.673 32.055 31.452 30.864 30.289 29.726 29.177 28.639 28.113 27.598 27.094 26.600 26.116 25.642 25.176 24.719 24.271 23.831 TmH2PO4+2 TmH2PO4+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 3 1.000 1 1.000 27 1.000 63 -9.908 -9.448 -9.260 -9.236 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.908 -9.448 -9.260 -9.236 -9.328 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.907 -9.448 -9.260 -9.236 -9.327 -9.507 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-9.955 -10.249 -10.849 -10.971 -11.093 -11.216 -11.340 -11.464 -11.588 -11.713 -11.838 -11.964 -12.091 -12.218 -12.345 -12.473 -12.602 -12.732 -12.862 -12.992 -13.123 -13.255 -13.388 99999.999 -8.018 -7.795 -7.741 -7.789 -7.906 -8.071 -8.270 -8.493 -8.734 -8.989 -9.253 -9.524 -9.802 -10.085 -10.662 -10.779 -10.896 -11.014 -11.132 -11.251 -11.370 -11.490 -11.610 -11.730 -11.851 -11.972 -12.094 -12.217 -12.340 -12.463 -12.587 -12.712 -12.837 -12.963 -13.090 Yb+2 Yb(+2) P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 5 -1.125 1 -0.125 4 1.000 64 0.125 6 0.500 2 24.902 22.170 19.840 17.833 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.902 22.170 19.840 17.833 16.083 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.903 22.170 19.841 17.833 16.084 14.543 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.903 22.171 19.842 17.834 16.084 14.544 13.173 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.905 22.172 19.843 17.835 16.086 14.545 13.174 11.945 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.907 22.174 19.845 17.837 16.088 14.547 13.176 11.947 10.834 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.910 22.178 19.848 17.840 16.091 14.550 13.179 11.950 10.837 9.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.914 22.182 19.852 17.845 16.095 14.554 13.184 11.954 10.842 9.828 8.894 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.920 22.188 19.859 17.851 16.101 14.560 13.190 11.960 10.848 9.834 8.902 8.036 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.928 22.196 19.867 17.859 16.109 14.568 13.197 11.968 10.857 9.843 8.911 8.047 7.247 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.938 22.207 19.877 17.869 16.119 14.578 13.208 11.979 10.868 9.855 8.924 8.062 7.261 6.545 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.952 22.221 19.891 17.882 16.132 14.591 13.221 11.992 10.881 9.870 8.941 8.080 7.282 6.551 6.002 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.962 22.231 19.901 17.892 16.142 14.600 13.231 12.002 10.892 9.881 8.953 8.095 7.298 6.563 5.919 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.976 22.246 19.916 17.907 16.156 14.614 13.245 12.017 10.907 9.897 8.971 8.115 7.322 6.586 5.896 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.990 22.261 19.930 17.921 16.170 14.628 13.259 12.031 10.922 9.912 8.988 8.135 7.345 6.612 5.912 8.077 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.004 22.275 19.945 17.935 16.184 14.642 13.272 12.045 10.936 9.928 9.004 8.154 7.368 6.639 5.941 6.139 6.863 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.018 22.290 19.959 17.949 16.197 14.656 13.286 12.059 10.950 9.943 9.021 8.173 7.391 6.666 5.976 5.673 5.858 6.283 6.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.032 22.304 19.973 17.963 16.211 14.669 13.299 12.072 10.965 9.957 9.037 8.191 7.412 6.693 6.012 5.462 5.478 5.605 5.879 6.307 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.046 22.318 19.987 17.976 16.224 14.682 13.313 12.086 10.978 9.972 9.052 8.208 7.432 6.718 6.047 5.342 5.282 5.285 5.369 5.551 5.831 6.177 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.059 22.332 20.001 17.990 16.237 14.695 13.326 12.099 10.992 9.986 9.067 8.225 7.452 6.741 6.080 5.267 5.165 5.103 5.093 5.145 5.267 5.455 5.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.072 22.346 20.014 18.003 16.250 14.708 13.339 12.112 11.005 10.000 9.082 8.241 7.470 6.763 6.109 5.218 5.089 4.989 4.925 4.904 4.931 5.010 5.136 5.300 5.484 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.085 22.360 20.028 18.016 16.263 14.721 13.351 12.125 11.019 10.014 9.097 8.257 7.487 6.783 6.135 5.185 5.037 4.913 4.815 4.749 4.718 4.725 4.772 4.855 4.968 5.100 5.240 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.098 22.373 20.041 18.029 16.276 14.733 13.364 12.138 11.032 10.027 9.111 8.272 7.504 6.801 6.158 5.162 5.002 4.860 4.740 4.644 4.574 4.535 4.526 4.549 4.601 4.677 4.770 4.874 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.111 22.387 20.054 18.042 16.289 14.746 13.376 12.150 11.044 10.041 9.125 8.287 7.519 6.818 6.177 5.147 4.977 4.823 4.687 4.570 4.474 4.402 4.355 4.334 4.338 4.366 4.414 4.478 4.554 4.637 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.124 22.400 20.067 18.055 16.301 14.758 13.389 12.163 11.057 10.054 9.138 8.301 7.534 6.833 6.194 5.137 4.960 4.797 4.648 4.516 4.402 4.307 4.232 4.179 4.147 4.137 4.147 4.174 4.215 4.268 4.331 99999.999 99999.999 99999.999 99999.999 99999.999 25.136 22.413 20.080 18.068 16.314 14.770 13.401 12.175 11.070 10.066 9.152 8.314 7.548 6.847 6.208 5.132 4.949 4.778 4.621 4.477 4.349 4.237 4.141 4.064 4.006 3.966 3.944 3.939 3.950 3.974 4.009 4.054 4.108 99999.999 99999.999 99999.999 25.148 22.426 20.093 18.080 16.326 14.783 13.413 12.187 11.082 10.079 9.165 8.328 7.561 6.860 6.221 5.129 4.942 4.766 4.601 4.449 4.310 4.184 4.074 3.979 3.899 3.837 3.790 3.759 3.743 3.740 3.750 3.771 3.801 3.841 99999.999 99999.999 25.161 22.439 20.106 18.093 16.338 14.795 13.425 12.199 11.094 10.092 9.177 8.341 7.574 6.872 6.232 5.130 4.938 4.757 4.587 4.428 4.280 4.145 4.023 3.913 3.818 3.737 3.671 3.618 3.580 3.554 3.541 3.540 3.548 3.566 3.594 3.629 25.173 22.452 20.119 18.105 16.350 14.806 13.437 12.211 11.106 10.104 9.190 8.354 7.587 6.885 6.242 5.132 4.937 4.753 4.578 4.413 4.259 4.115 3.983 3.863 3.756 3.660 3.578 3.508 3.451 3.406 3.374 3.352 3.340 3.339 3.347 3.363 25.288 22.574 20.240 18.223 16.466 14.920 13.549 12.323 11.220 10.220 9.308 8.474 7.708 7.003 6.354 5.204 4.995 4.794 4.599 4.411 4.229 4.053 3.884 3.720 3.563 3.412 3.266 3.126 2.992 2.864 2.742 2.625 2.514 2.408 2.308 2.214 25.393 22.687 20.353 18.334 16.573 15.025 13.652 12.426 11.323 10.324 9.415 8.583 7.818 7.114 6.464 5.304 5.092 4.887 4.687 4.493 4.305 4.121 3.944 3.770 3.602 3.439 3.280 3.125 2.974 2.828 2.685 2.547 2.412 2.281 2.153 2.029 25.491 22.794 20.459 18.438 16.674 15.123 13.749 12.521 11.418 10.420 9.512 8.681 7.919 7.216 6.566 5.405 5.193 4.986 4.785 4.589 4.399 4.214 4.033 3.857 3.686 3.519 3.356 3.196 3.041 2.889 2.741 2.596 2.454 2.315 2.180 2.047 25.583 22.895 20.560 18.536 16.770 15.217 13.840 12.611 11.507 10.509 9.602 8.773 8.011 7.310 6.662 5.502 5.289 5.083 4.881 4.685 4.495 4.309 4.128 3.951 3.778 3.610 3.446 3.285 3.129 2.975 2.825 2.678 2.534 2.393 2.255 2.119 25.671 22.991 20.657 18.631 16.862 15.307 13.928 12.697 11.592 10.593 9.686 8.857 8.097 7.398 6.751 5.593 5.381 5.174 4.973 4.777 4.586 4.401 4.219 4.043 3.870 3.702 3.537 3.377 3.220 3.066 2.915 2.768 2.624 2.482 2.343 2.207 25.755 23.084 20.750 18.722 16.951 15.393 14.011 12.779 11.672 10.673 9.765 8.937 8.178 7.479 6.833 5.678 5.466 5.260 5.059 4.864 4.673 4.488 4.307 4.130 3.958 3.790 3.626 3.465 3.308 3.155 3.004 2.857 2.713 2.572 2.433 2.297 25.835 23.174 20.841 18.811 17.037 15.476 14.092 12.858 11.750 10.749 9.841 9.013 8.254 7.556 6.911 5.758 5.546 5.340 5.140 4.945 4.755 4.570 4.389 4.213 4.041 3.874 3.710 3.550 3.393 3.240 3.090 2.943 2.799 2.658 2.520 2.384 99999.999 23.262 20.929 18.897 17.120 15.557 14.171 12.934 11.825 10.823 9.914 9.085 8.326 7.629 6.984 5.833 5.622 5.416 5.216 5.022 4.832 4.647 4.467 4.291 4.120 3.952 3.789 3.629 3.473 3.320 3.170 3.024 2.881 2.740 2.602 2.467 Yb+4 Yb(+4) P-T:All Charge = 4. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 5 1.125 1 0.125 4 1.000 64 -0.125 6 -0.500 2 120.010 110.724 102.801 95.968 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 120.010 110.724 102.801 95.968 90.015 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 120.010 110.724 102.801 95.968 90.015 84.782 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 120.010 110.724 102.801 95.968 90.015 84.782 80.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 120.010 110.724 102.801 95.968 90.014 84.782 80.147 76.015 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 120.010 110.724 102.801 95.968 90.014 84.781 80.147 76.014 72.307 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 120.010 110.724 102.801 95.967 90.014 84.781 80.146 76.013 72.306 68.963 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 120.010 110.724 102.801 95.967 90.013 84.780 80.145 76.012 72.304 68.960 65.934 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 120.011 110.724 102.801 95.967 90.013 84.779 80.144 76.010 72.301 68.957 65.930 63.178 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 120.011 110.724 102.800 95.966 90.012 84.778 80.142 76.008 72.298 68.954 65.925 63.172 60.651 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 120.012 110.724 102.800 95.965 90.011 84.776 80.140 76.004 72.294 68.948 65.918 63.163 60.643 58.286 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 120.013 110.725 102.800 95.964 90.009 84.774 80.137 76.001 72.289 68.942 65.910 63.152 60.630 58.295 55.956 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 120.014 110.725 102.799 95.964 90.008 84.773 80.135 75.998 72.286 68.937 65.903 63.143 60.619 58.291 56.077 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 120.015 110.725 102.799 95.963 90.007 84.770 80.132 75.994 72.280 68.930 65.894 63.131 60.603 58.278 56.127 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 120.016 110.725 102.799 95.962 90.005 84.768 80.129 75.990 72.275 68.924 65.885 63.119 60.587 58.259 56.126 47.849 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 120.017 110.726 102.799 95.961 90.004 84.766 80.126 75.986 72.271 68.918 65.877 63.107 60.571 58.239 56.105 50.441 48.479 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 120.018 110.726 102.798 95.961 90.003 84.765 80.123 75.983 72.266 68.912 65.869 63.096 60.556 58.218 56.077 51.064 49.822 48.283 46.384 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 120.020 110.727 102.798 95.960 90.002 84.763 80.121 75.979 72.261 68.906 65.862 63.086 60.542 58.199 56.047 51.353 50.333 49.194 47.881 46.375 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 120.021 110.727 102.798 95.960 90.000 84.761 80.118 75.976 72.257 68.900 65.854 63.076 60.528 58.180 56.018 51.521 50.603 49.627 48.569 47.402 46.121 44.761 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 120.023 110.728 102.798 95.959 89.999 84.759 80.116 75.973 72.253 68.895 65.847 63.067 60.516 58.163 55.991 51.631 50.768 49.878 48.944 47.952 46.889 45.755 44.569 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 120.024 110.728 102.798 95.959 89.998 84.758 80.114 75.969 72.249 68.890 65.841 63.058 60.505 58.148 55.967 51.708 50.880 50.039 49.177 48.283 47.347 46.363 45.334 44.270 43.192 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 120.026 110.729 102.798 95.958 89.998 84.756 80.111 75.966 72.245 68.885 65.835 63.051 60.495 58.135 55.947 51.763 50.959 50.151 49.333 48.499 47.641 46.753 45.834 44.884 43.910 42.926 41.943 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 120.027 110.730 102.798 95.958 89.997 84.755 80.109 75.964 72.241 68.880 65.829 63.043 60.486 58.124 55.930 51.805 51.017 50.232 49.444 48.649 47.842 47.017 46.172 45.306 44.418 43.516 42.605 41.693 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 120.029 110.730 102.799 95.957 89.996 84.754 80.107 75.961 72.238 68.875 65.823 63.036 60.478 58.114 55.918 51.836 51.061 50.292 49.525 48.758 47.985 47.204 46.411 45.604 44.782 43.947 43.101 42.249 41.396 40.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 120.030 110.731 102.799 95.957 89.995 84.752 80.105 75.958 72.234 68.871 65.817 63.030 60.470 58.106 55.908 51.860 51.094 50.338 49.587 48.839 48.092 47.341 46.586 45.822 45.048 44.265 43.473 42.675 41.872 41.068 40.266 99999.999 99999.999 99999.999 99999.999 99999.999 120.032 110.732 102.799 95.957 89.994 84.751 80.103 75.956 72.231 68.867 65.812 63.024 60.464 58.099 55.901 51.878 51.120 50.373 49.634 48.902 48.173 47.445 46.716 45.984 45.248 44.505 43.756 43.002 42.243 41.482 40.720 39.960 39.201 99999.999 99999.999 99999.999 120.034 110.733 102.799 95.957 89.994 84.750 80.102 75.953 72.227 68.862 65.807 63.018 60.458 58.094 55.896 51.892 51.140 50.401 49.671 48.950 48.235 47.525 46.817 46.109 45.400 44.688 43.974 43.255 42.534 41.810 41.085 40.360 39.636 38.913 99999.999 99999.999 120.036 110.734 102.800 95.957 89.993 84.749 80.100 75.951 72.224 68.858 65.803 63.013 60.452 58.089 55.893 51.903 51.156 50.422 49.700 48.988 48.285 47.588 46.895 46.206 45.518 44.831 44.143 43.454 42.764 42.072 41.379 40.686 39.993 39.301 38.611 37.922 120.038 110.734 102.800 95.956 89.992 84.748 80.098 75.948 72.221 68.855 65.798 63.008 60.447 58.084 55.890 51.911 51.168 50.439 49.723 49.019 48.324 47.637 46.957 46.283 45.612 44.944 44.277 43.612 42.946 42.281 41.615 40.950 40.286 39.622 38.960 38.299 120.058 110.745 102.805 95.957 89.989 84.739 80.085 75.929 72.195 68.821 65.757 62.961 60.397 58.035 55.849 51.919 51.194 50.487 49.797 49.123 48.464 47.820 47.190 46.573 45.968 45.374 44.792 44.220 43.657 43.104 42.559 42.022 41.493 40.971 40.456 39.948 120.082 110.758 102.812 95.960 89.988 84.735 80.076 75.915 72.176 68.796 65.726 62.923 60.354 57.989 55.802 51.881 51.160 50.458 49.774 49.107 48.457 47.822 47.203 46.598 46.007 45.430 44.865 44.313 43.772 43.243 42.724 42.217 41.719 41.231 40.752 40.283 120.107 110.774 102.822 95.965 89.990 84.733 80.071 75.906 72.162 68.777 65.701 62.893 60.319 57.949 55.758 51.836 51.116 50.414 49.732 49.066 48.418 47.786 47.170 46.568 45.982 45.408 44.849 44.302 43.768 43.245 42.735 42.235 41.746 41.268 40.800 40.342 120.135 110.791 102.833 95.973 89.993 84.733 80.068 75.899 72.151 68.762 65.682 62.869 60.289 57.915 55.720 51.792 51.071 50.370 49.687 49.021 48.373 47.742 47.126 46.525 45.939 45.367 44.808 44.263 43.730 43.210 42.701 42.204 41.718 41.243 40.778 40.323 120.164 110.809 102.846 95.981 89.998 84.735 80.067 75.895 72.144 68.751 65.666 62.849 60.265 57.886 55.688 51.753 51.031 50.328 49.644 48.978 48.329 47.697 47.081 46.479 45.893 45.321 44.762 44.217 43.684 43.164 42.655 42.158 41.673 41.198 40.733 40.279 120.194 110.828 102.859 95.990 90.005 84.739 80.067 75.893 72.139 68.743 65.655 62.834 60.246 57.863 55.660 51.718 50.995 50.291 49.606 48.939 48.289 47.656 47.038 46.436 45.849 45.276 44.717 44.170 43.637 43.116 42.607 42.110 41.623 41.148 40.683 40.228 120.224 110.847 102.873 96.001 90.012 84.743 80.069 75.892 72.135 68.736 65.645 62.821 60.230 57.843 55.637 51.688 50.964 50.259 49.572 48.904 48.253 47.618 47.000 46.397 45.809 45.234 44.674 44.127 43.593 43.071 42.561 42.063 41.576 41.099 40.634 40.178 99999.999 110.867 102.888 96.012 90.020 84.748 80.072 75.893 72.133 68.732 65.638 62.811 60.217 57.827 55.618 51.662 50.936 50.230 49.542 48.873 48.221 47.585 46.966 46.362 45.772 45.197 44.636 44.088 43.553 43.030 42.519 42.020 41.532 41.054 40.588 40.131 YbCO3+ YbCO3+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 3 -1.000 1 1.000 5 1.000 64 1.904 2.039 2.177 2.312 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.904 2.039 2.177 2.312 2.439 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.904 2.039 2.177 2.312 2.439 2.554 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.904 2.039 2.177 2.312 2.439 2.554 2.652 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.903 2.039 2.177 2.312 2.439 2.554 2.652 2.730 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.903 2.038 2.176 2.311 2.439 2.554 2.653 2.731 2.785 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.903 2.038 2.176 2.311 2.439 2.554 2.654 2.733 2.787 2.809 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.902 2.037 2.175 2.310 2.438 2.555 2.655 2.735 2.790 2.814 2.793 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.902 2.036 2.174 2.310 2.438 2.555 2.656 2.737 2.795 2.821 2.804 2.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.901 2.034 2.172 2.308 2.438 2.556 2.658 2.741 2.800 2.829 2.817 2.746 2.584 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.899 2.031 2.170 2.307 2.437 2.556 2.660 2.745 2.807 2.840 2.834 2.774 2.630 2.341 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.897 2.028 2.167 2.304 2.436 2.557 2.663 2.750 2.816 2.854 2.855 2.807 2.685 2.441 1.890 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.895 2.025 2.164 2.303 2.435 2.557 2.664 2.754 2.822 2.864 2.871 2.831 2.724 2.510 2.047 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.891 2.021 2.160 2.300 2.433 2.557 2.667 2.759 2.831 2.877 2.891 2.863 2.776 2.597 2.223 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.888 2.016 2.156 2.296 2.431 2.557 2.669 2.764 2.839 2.890 2.911 2.893 2.824 2.675 2.367 0.919 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.884 2.012 2.151 2.293 2.429 2.556 2.670 2.768 2.846 2.901 2.929 2.921 2.867 2.745 2.492 1.988 1.433 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.880 2.006 2.147 2.289 2.427 2.555 2.671 2.771 2.853 2.912 2.946 2.947 2.907 2.808 2.600 2.268 2.016 1.602 0.880 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.875 2.001 2.142 2.285 2.424 2.554 2.672 2.775 2.859 2.923 2.961 2.971 2.943 2.865 2.696 2.436 2.270 2.038 1.697 1.181 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.870 1.996 2.137 2.281 2.421 2.553 2.673 2.778 2.865 2.932 2.976 2.993 2.976 2.916 2.780 2.561 2.436 2.274 2.059 1.764 1.356 0.806 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.865 1.990 2.132 2.277 2.418 2.551 2.673 2.780 2.871 2.941 2.990 3.013 3.006 2.962 2.855 2.661 2.561 2.437 2.281 2.080 1.818 1.478 1.044 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.859 1.984 2.126 2.272 2.415 2.550 2.673 2.783 2.876 2.950 3.003 3.032 3.034 3.003 2.921 2.746 2.664 2.564 2.441 2.290 2.102 1.866 1.573 1.215 0.791 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.853 1.977 2.120 2.267 2.411 2.548 2.673 2.785 2.880 2.957 3.015 3.050 3.060 3.040 2.978 2.820 2.751 2.668 2.568 2.447 2.302 2.125 1.911 1.655 1.351 1.000 0.607 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.847 1.971 2.114 2.262 2.408 2.545 2.673 2.786 2.884 2.965 3.026 3.066 3.083 3.074 3.029 2.885 2.827 2.756 2.673 2.574 2.456 2.317 2.151 1.956 1.727 1.464 1.168 0.841 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.841 1.964 2.108 2.257 2.404 2.543 2.672 2.788 2.888 2.971 3.036 3.081 3.105 3.104 3.073 2.945 2.894 2.834 2.763 2.680 2.582 2.468 2.334 2.179 2.000 1.795 1.565 1.310 1.032 0.738 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.834 1.957 2.102 2.252 2.400 2.540 2.671 2.789 2.892 2.978 3.046 3.095 3.124 3.131 3.112 2.999 2.955 2.903 2.843 2.771 2.689 2.593 2.482 2.354 2.209 2.045 1.860 1.656 1.434 1.196 0.945 99999.999 99999.999 99999.999 99999.999 99999.999 1.827 1.950 2.096 2.247 2.395 2.538 2.670 2.789 2.895 2.984 3.055 3.108 3.143 3.156 3.146 3.048 3.011 2.966 2.914 2.852 2.781 2.699 2.606 2.499 2.378 2.242 2.090 1.923 1.742 1.547 1.340 1.125 0.903 99999.999 99999.999 99999.999 1.820 1.943 2.089 2.241 2.391 2.535 2.668 2.790 2.897 2.989 3.064 3.121 3.159 3.178 3.176 3.094 3.062 3.023 2.978 2.925 2.863 2.793 2.712 2.621 2.518 2.404 2.277 2.137 1.986 1.823 1.651 1.470 1.283 1.093 99999.999 99999.999 1.813 1.935 2.082 2.235 2.386 2.531 2.667 2.790 2.900 2.994 3.072 3.132 3.175 3.199 3.203 3.137 3.109 3.076 3.037 2.990 2.937 2.876 2.806 2.727 2.639 2.541 2.432 2.314 2.185 2.048 1.901 1.748 1.589 1.426 1.261 1.095 1.805 1.928 2.075 2.229 2.382 2.528 2.665 2.790 2.902 2.999 3.079 3.143 3.190 3.218 3.228 3.177 3.153 3.125 3.091 3.050 3.004 2.950 2.889 2.821 2.744 2.659 2.566 2.463 2.353 2.235 2.109 1.977 1.840 1.700 1.557 1.413 1.716 1.841 1.997 2.162 2.326 2.486 2.637 2.779 2.910 3.029 3.134 3.225 3.303 3.368 3.418 3.474 3.478 3.479 3.477 3.472 3.464 3.453 3.438 3.421 3.400 3.376 3.349 3.318 3.285 3.249 3.209 3.167 3.123 3.076 3.028 2.978 1.607 1.740 1.907 2.082 2.259 2.430 2.595 2.752 2.899 3.035 3.159 3.272 3.374 3.464 3.542 3.665 3.683 3.700 3.715 3.728 3.739 3.747 3.754 3.758 3.761 3.761 3.759 3.755 3.748 3.740 3.730 3.718 3.704 3.688 3.671 3.652 1.484 1.628 1.806 1.993 2.181 2.365 2.542 2.712 2.872 3.023 3.164 3.295 3.415 3.525 3.625 3.796 3.825 3.853 3.879 3.904 3.927 3.948 3.967 3.985 4.002 4.016 4.029 4.040 4.050 4.058 4.064 4.069 4.072 4.073 4.074 4.072 1.348 1.506 1.697 1.897 2.096 2.292 2.481 2.662 2.835 2.999 3.154 3.299 3.436 3.562 3.680 3.888 3.926 3.962 3.997 4.030 4.062 4.092 4.121 4.149 4.175 4.200 4.223 4.245 4.265 4.284 4.302 4.318 4.332 4.346 4.358 4.368 1.203 1.376 1.580 1.793 2.005 2.212 2.412 2.604 2.789 2.965 3.132 3.291 3.440 3.581 3.714 3.954 3.998 4.041 4.082 4.122 4.161 4.199 4.235 4.270 4.304 4.337 4.368 4.398 4.426 4.453 4.479 4.504 4.527 4.549 4.569 4.589 1.050 1.240 1.458 1.684 1.908 2.126 2.337 2.540 2.735 2.922 3.101 3.271 3.433 3.586 3.732 3.999 4.048 4.097 4.144 4.190 4.235 4.278 4.321 4.362 4.402 4.440 4.478 4.514 4.549 4.582 4.615 4.646 4.676 4.704 4.732 4.758 0.891 1.099 1.331 1.570 1.806 2.035 2.257 2.470 2.676 2.873 3.062 3.242 3.415 3.580 3.737 4.027 4.082 4.135 4.187 4.238 4.288 4.336 4.384 4.430 4.475 4.519 4.561 4.603 4.643 4.682 4.720 4.756 4.791 4.826 4.858 4.890 99999.999 0.953 1.200 1.452 1.700 1.941 2.173 2.396 2.611 2.818 3.016 3.207 3.390 3.564 3.732 4.043 4.102 4.160 4.216 4.271 4.325 4.378 4.430 4.480 4.530 4.578 4.625 4.671 4.715 4.759 4.801 4.842 4.882 4.920 4.958 4.994 YbHCO3+2 YbHCO3+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 2 1.000 5 1.000 64 -1.836 -1.840 -1.963 -2.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.836 -1.840 -1.963 -2.148 -2.374 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.836 -1.840 -1.963 -2.148 -2.373 -2.628 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.833 -1.838 -1.961 -2.146 -2.371 -2.625 -2.902 -3.202 -3.524 -3.873 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.832 -1.837 -1.960 -2.145 -2.369 -2.623 -2.900 -3.199 -3.520 -3.867 -4.249 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.830 -1.835 -1.959 -2.143 -2.367 -2.620 -2.896 -3.194 -3.514 -3.859 -4.238 -4.664 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.827 -1.834 -1.957 -2.141 -2.365 -2.617 -2.892 -3.189 -3.506 -3.849 -4.223 -4.642 -5.126 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.824 -1.831 -1.955 -2.139 -2.362 -2.613 -2.886 -3.181 -3.497 -3.835 -4.204 -4.615 -5.085 -5.642 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.820 -1.829 -1.952 -2.136 -2.358 -2.607 -2.879 -3.172 -3.484 -3.819 -4.181 -4.581 -5.034 -5.566 -6.242 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.817 -1.827 -1.950 -2.134 -2.355 -2.603 -2.874 -3.165 -3.475 -3.806 -4.164 -4.556 -4.997 -5.510 -6.176 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.814 -1.825 -1.948 -2.131 -2.351 -2.598 -2.867 -3.155 -3.463 -3.790 -4.141 -4.523 -4.946 -5.433 -6.062 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.811 -1.823 -1.946 -2.128 -2.347 -2.593 -2.860 -3.146 -3.451 -3.774 -4.119 -4.491 -4.899 -5.362 -5.948 -5.483 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.808 -1.821 -1.944 -2.126 -2.344 -2.589 -2.854 -3.138 -3.439 -3.758 -4.098 -4.461 -4.856 -5.297 -5.841 -6.027 -5.935 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.806 -1.819 -1.943 -2.124 -2.341 -2.584 -2.848 -3.130 -3.428 -3.744 -4.078 -4.433 -4.816 -5.236 -5.742 -6.115 -6.174 -6.185 -6.198 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.804 -1.818 -1.941 -2.122 -2.338 -2.580 -2.843 -3.122 -3.418 -3.730 -4.059 -4.407 -4.778 -5.181 -5.652 -6.122 -6.228 -6.311 -6.372 -6.438 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.802 -1.818 -1.940 -2.120 -2.336 -2.577 -2.837 -3.115 -3.408 -3.717 -4.041 -4.383 -4.744 -5.131 -5.571 -6.104 -6.228 -6.340 -6.440 -6.530 -6.626 -6.760 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.801 -1.817 -1.940 -2.119 -2.334 -2.573 -2.832 -3.108 -3.399 -3.704 -4.025 -4.360 -4.712 -5.085 -5.499 -6.076 -6.208 -6.334 -6.452 -6.564 -6.671 -6.785 -6.922 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.800 -1.817 -1.939 -2.118 -2.332 -2.570 -2.827 -3.101 -3.390 -3.692 -4.009 -4.339 -4.683 -5.043 -5.435 -6.045 -6.180 -6.312 -6.440 -6.563 -6.682 -6.801 -6.925 -7.064 -7.225 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.799 -1.817 -1.939 -2.117 -2.330 -2.567 -2.823 -3.095 -3.381 -3.681 -3.994 -4.319 -4.656 -5.006 -5.379 -6.011 -6.148 -6.282 -6.415 -6.545 -6.672 -6.797 -6.923 -7.052 -7.191 -7.343 -7.510 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.799 -1.817 -1.939 -2.116 -2.328 -2.564 -2.819 -3.089 -3.373 -3.670 -3.979 -4.300 -4.631 -4.972 -5.330 -5.977 -6.114 -6.250 -6.384 -6.518 -6.649 -6.779 -6.908 -7.037 -7.169 -7.307 -7.452 -7.605 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.799 -1.818 -1.939 -2.116 -2.327 -2.562 -2.815 -3.083 -3.365 -3.660 -3.966 -4.282 -4.608 -4.942 -5.288 -5.944 -6.080 -6.216 -6.351 -6.486 -6.620 -6.752 -6.884 -7.015 -7.146 -7.279 -7.415 -7.553 -7.696 -7.840 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.800 -1.819 -1.940 -2.116 -2.326 -2.560 -2.812 -3.078 -3.358 -3.650 -3.953 -4.266 -4.587 -4.915 -5.251 -5.911 -6.046 -6.182 -6.317 -6.452 -6.586 -6.720 -6.853 -6.986 -7.118 -7.250 -7.382 -7.515 -7.649 -7.783 -7.915 99999.999 99999.999 99999.999 99999.999 99999.999 -1.801 -1.820 -1.941 -2.116 -2.325 -2.558 -2.808 -3.073 -3.351 -3.640 -3.940 -4.250 -4.567 -4.890 -5.220 -5.879 -6.013 -6.148 -6.282 -6.417 -6.552 -6.686 -6.820 -6.953 -7.085 -7.217 -7.349 -7.480 -7.610 -7.739 -7.866 -7.989 -8.108 99999.999 99999.999 99999.999 -1.802 -1.821 -1.941 -2.116 -2.325 -2.556 -2.805 -3.068 -3.344 -3.631 -3.929 -4.235 -4.549 -4.868 -5.192 -5.848 -5.981 -6.114 -6.248 -6.382 -6.516 -6.650 -6.784 -6.917 -7.050 -7.182 -7.314 -7.444 -7.573 -7.700 -7.824 -7.946 -8.062 -8.173 99999.999 99999.999 -1.803 -1.823 -1.943 -2.117 -2.324 -2.555 -2.802 -3.064 -3.338 -3.623 -3.918 -4.221 -4.531 -4.847 -5.167 -5.818 -5.949 -6.081 -6.214 -6.347 -6.480 -6.614 -6.747 -6.881 -7.013 -7.146 -7.277 -7.407 -7.535 -7.662 -7.786 -7.906 -8.023 -8.134 -8.238 -8.335 -1.805 -1.824 -1.944 -2.117 -2.324 -2.553 -2.800 -3.060 -3.332 -3.614 -3.907 -4.208 -4.515 -4.828 -5.144 -5.788 -5.919 -6.050 -6.181 -6.313 -6.445 -6.578 -6.710 -6.843 -6.976 -7.108 -7.239 -7.369 -7.497 -7.624 -7.748 -7.869 -7.986 -8.098 -8.204 -8.304 -1.835 -1.853 -1.967 -2.133 -2.331 -2.550 -2.784 -3.030 -3.285 -3.549 -3.821 -4.098 -4.380 -4.667 -4.956 -5.541 -5.659 -5.777 -5.896 -6.016 -6.136 -6.256 -6.377 -6.498 -6.620 -6.742 -6.865 -6.987 -7.110 -7.232 -7.354 -7.476 -7.596 -7.716 -7.835 -7.952 -1.887 -1.898 -2.005 -2.163 -2.352 -2.561 -2.785 -3.018 -3.260 -3.509 -3.763 -4.022 -4.285 -4.550 -4.818 -5.357 -5.466 -5.574 -5.683 -5.792 -5.902 -6.012 -6.122 -6.232 -6.343 -6.454 -6.566 -6.677 -6.789 -6.902 -7.015 -7.127 -7.240 -7.353 -7.467 -7.580 -1.956 -1.958 -2.055 -2.204 -2.384 -2.584 -2.798 -3.021 -3.251 -3.487 -3.727 -3.970 -4.217 -4.465 -4.715 -5.217 -5.318 -5.419 -5.520 -5.621 -5.722 -5.823 -5.925 -6.027 -6.129 -6.231 -6.333 -6.436 -6.539 -6.643 -6.746 -6.850 -6.954 -7.059 -7.164 -7.269 -2.040 -2.028 -2.115 -2.255 -2.425 -2.616 -2.821 -3.034 -3.254 -3.478 -3.706 -3.936 -4.169 -4.403 -4.638 -5.109 -5.204 -5.298 -5.392 -5.487 -5.581 -5.676 -5.770 -5.865 -5.960 -6.055 -6.150 -6.246 -6.341 -6.437 -6.533 -6.629 -6.726 -6.823 -6.920 -7.018 -2.134 -2.108 -2.184 -2.313 -2.475 -2.657 -2.852 -3.056 -3.267 -3.481 -3.698 -3.917 -4.137 -4.359 -4.581 -5.026 -5.114 -5.203 -5.292 -5.381 -5.470 -5.558 -5.647 -5.736 -5.825 -5.914 -6.003 -6.093 -6.182 -6.272 -6.362 -6.452 -6.542 -6.632 -6.723 -6.814 -2.237 -2.196 -2.260 -2.379 -2.531 -2.703 -2.890 -3.086 -3.287 -3.492 -3.699 -3.908 -4.118 -4.329 -4.540 -4.961 -5.045 -5.129 -5.213 -5.297 -5.381 -5.465 -5.549 -5.633 -5.717 -5.801 -5.885 -5.969 -6.053 -6.138 -6.222 -6.307 -6.392 -6.477 -6.563 -6.648 -2.349 -2.289 -2.341 -2.450 -2.592 -2.756 -2.934 -3.121 -3.314 -3.511 -3.709 -3.909 -4.109 -4.310 -4.511 -4.911 -4.991 -5.071 -5.151 -5.231 -5.310 -5.390 -5.470 -5.549 -5.629 -5.709 -5.788 -5.868 -5.948 -6.028 -6.108 -6.189 -6.269 -6.350 -6.431 -6.512 99999.999 -2.388 -2.428 -2.525 -2.658 -2.813 -2.983 -3.162 -3.347 -3.535 -3.726 -3.917 -4.109 -4.301 -4.492 -4.874 -4.951 -5.027 -5.103 -5.179 -5.255 -5.331 -5.407 -5.482 -5.558 -5.634 -5.710 -5.786 -5.862 -5.939 -6.015 -6.091 -6.168 -6.245 -6.322 -6.399 YbOH+2 YbOH+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 3 -1.000 1 1.000 2 1.000 64 8.854 7.614 6.571 5.683 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.854 7.614 6.571 5.683 4.920 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.855 7.615 6.571 5.684 4.920 4.255 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.856 7.616 6.572 5.685 4.921 4.256 3.669 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.858 7.618 6.575 5.687 4.923 4.258 3.671 3.147 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.862 7.622 6.578 5.690 4.926 4.261 3.674 3.150 2.677 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.867 7.627 6.583 5.695 4.931 4.266 3.679 3.155 2.682 2.249 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.874 7.634 6.590 5.702 4.938 4.272 3.685 3.161 2.688 2.256 1.853 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.884 7.644 6.600 5.711 4.947 4.281 3.694 3.170 2.697 2.265 1.863 1.482 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.897 7.658 6.613 5.724 4.959 4.293 3.706 3.182 2.709 2.278 1.877 1.497 1.139 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.914 7.675 6.630 5.740 4.975 4.309 3.721 3.197 2.725 2.294 1.894 1.517 1.160 0.842 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.936 7.697 6.651 5.761 4.995 4.328 3.741 3.217 2.745 2.315 1.917 1.543 1.188 0.859 0.653 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.953 7.714 6.668 5.777 5.011 4.344 3.756 3.232 2.760 2.331 1.934 1.562 1.210 0.879 0.590 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.977 7.739 6.692 5.800 5.033 4.365 3.777 3.253 2.782 2.353 1.958 1.589 1.242 0.912 0.586 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.001 7.763 6.715 5.823 5.055 4.386 3.798 3.274 2.803 2.375 1.982 1.616 1.273 0.948 0.616 3.268 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.024 7.786 6.738 5.845 5.076 4.407 3.819 3.295 2.824 2.397 2.005 1.642 1.303 0.985 0.659 1.478 2.260 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.047 7.810 6.761 5.867 5.098 4.428 3.839 3.315 2.845 2.418 2.027 1.667 1.333 1.020 0.705 1.054 1.336 1.837 2.579 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.069 7.833 6.783 5.889 5.119 4.449 3.859 3.335 2.865 2.439 2.049 1.691 1.361 1.054 0.751 0.866 0.993 1.218 1.575 2.067 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.092 7.856 6.806 5.910 5.139 4.469 3.879 3.355 2.885 2.459 2.071 1.715 1.388 1.087 0.796 0.764 0.820 0.930 1.113 1.382 1.735 2.141 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.114 7.878 6.827 5.931 5.160 4.489 3.899 3.375 2.904 2.479 2.092 1.737 1.413 1.117 0.837 0.703 0.719 0.771 0.867 1.017 1.227 1.494 1.799 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.135 7.900 6.849 5.952 5.180 4.508 3.918 3.394 2.924 2.499 2.112 1.759 1.437 1.145 0.874 0.665 0.657 0.674 0.720 0.803 0.927 1.095 1.304 1.541 1.792 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.157 7.922 6.871 5.973 5.200 4.528 3.937 3.413 2.943 2.518 2.132 1.780 1.461 1.171 0.907 0.642 0.617 0.611 0.627 0.668 0.739 0.843 0.980 1.146 1.336 1.540 1.747 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.178 7.944 6.892 5.993 5.220 4.547 3.956 3.431 2.962 2.537 2.152 1.801 1.483 1.196 0.937 0.628 0.592 0.570 0.565 0.579 0.615 0.676 0.763 0.875 1.011 1.166 1.334 1.509 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.199 7.966 6.913 6.014 5.239 4.566 3.975 3.450 2.980 2.556 2.171 1.821 1.503 1.218 0.963 0.621 0.576 0.543 0.523 0.519 0.531 0.562 0.614 0.687 0.780 0.893 1.021 1.162 1.310 1.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.220 7.987 6.934 6.034 5.259 4.585 3.993 3.468 2.998 2.574 2.190 1.840 1.523 1.239 0.986 0.619 0.568 0.526 0.495 0.477 0.472 0.482 0.509 0.552 0.614 0.692 0.786 0.894 1.013 1.141 1.276 99999.999 99999.999 99999.999 99999.999 99999.999 9.240 8.008 6.954 6.053 5.278 4.603 4.011 3.486 3.016 2.592 2.208 1.859 1.543 1.258 1.006 0.621 0.564 0.516 0.477 0.448 0.430 0.425 0.433 0.455 0.492 0.544 0.610 0.689 0.781 0.883 0.994 1.112 1.237 99999.999 99999.999 99999.999 9.261 8.029 6.974 6.073 5.297 4.622 4.029 3.504 3.034 2.610 2.226 1.877 1.561 1.276 1.024 0.625 0.564 0.511 0.465 0.429 0.401 0.384 0.378 0.384 0.402 0.433 0.477 0.533 0.600 0.679 0.767 0.864 0.968 1.080 99999.999 99999.999 9.281 8.049 6.995 6.093 5.315 4.640 4.047 3.521 3.051 2.628 2.244 1.895 1.579 1.294 1.040 0.632 0.567 0.510 0.459 0.416 0.381 0.355 0.338 0.331 0.335 0.350 0.375 0.412 0.460 0.518 0.585 0.662 0.746 0.839 0.939 1.045 9.300 8.070 7.014 6.112 5.334 4.658 4.064 3.539 3.069 2.645 2.262 1.913 1.597 1.311 1.056 0.640 0.573 0.512 0.457 0.409 0.368 0.335 0.309 0.293 0.285 0.286 0.298 0.319 0.350 0.390 0.440 0.498 0.565 0.640 0.721 0.811 9.487 8.264 7.204 6.295 5.510 4.829 4.231 3.703 3.232 2.808 2.426 2.078 1.762 1.474 1.212 0.761 0.682 0.606 0.534 0.465 0.399 0.337 0.278 0.222 0.170 0.121 0.076 0.034 -0.005 -0.040 -0.072 -0.100 -0.124 -0.145 -0.162 -0.175 9.658 8.442 7.379 6.464 5.673 4.986 4.383 3.852 3.379 2.955 2.573 2.226 1.911 1.623 1.360 0.900 0.818 0.739 0.662 0.588 0.517 0.448 0.382 0.318 0.256 0.197 0.139 0.084 0.031 -0.020 -0.070 -0.117 -0.163 -0.207 -0.249 -0.290 9.815 8.608 7.543 6.622 5.825 5.132 4.525 3.990 3.515 3.090 2.707 2.361 2.046 1.759 1.496 1.035 0.952 0.871 0.794 0.718 0.645 0.575 0.506 0.440 0.376 0.313 0.252 0.193 0.136 0.080 0.026 -0.027 -0.079 -0.130 -0.179 -0.227 9.962 8.765 7.697 6.771 5.969 5.270 4.659 4.120 3.642 3.215 2.831 2.485 2.171 1.884 1.622 1.161 1.078 0.997 0.919 0.844 0.770 0.699 0.630 0.563 0.498 0.435 0.373 0.313 0.254 0.197 0.141 0.087 0.033 -0.019 -0.070 -0.120 10.101 8.913 7.844 6.913 6.105 5.402 4.785 4.243 3.761 3.332 2.948 2.601 2.286 2.000 1.738 1.279 1.195 1.115 1.037 0.962 0.888 0.817 0.748 0.681 0.616 0.552 0.491 0.430 0.372 0.314 0.258 0.204 0.150 0.097 0.046 -0.005 10.233 9.056 7.984 7.049 6.236 5.527 4.907 4.360 3.875 3.444 3.057 2.709 2.395 2.108 1.847 1.388 1.305 1.225 1.147 1.072 0.999 0.928 0.859 0.792 0.727 0.664 0.602 0.542 0.484 0.427 0.371 0.316 0.263 0.211 0.159 0.109 10.359 9.193 8.120 7.180 6.362 5.648 5.023 4.472 3.985 3.550 3.162 2.813 2.497 2.210 1.949 1.491 1.408 1.328 1.251 1.176 1.103 1.032 0.964 0.897 0.832 0.769 0.708 0.648 0.590 0.533 0.477 0.423 0.370 0.318 0.267 0.217 99999.999 9.325 8.251 7.306 6.483 5.765 5.136 4.581 4.090 3.653 3.262 2.911 2.594 2.307 2.046 1.588 1.505 1.426 1.348 1.273 1.201 1.130 1.062 0.995 0.931 0.868 0.807 0.747 0.689 0.633 0.578 0.524 0.471 0.419 0.369 0.319 YbO+ YbO+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 3 -2.000 1 1.000 2 1.000 64 18.081 15.751 13.845 12.259 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.081 15.751 13.845 12.259 10.921 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.082 15.751 13.846 12.260 10.921 9.776 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.083 15.753 13.847 12.261 10.923 9.777 8.783 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.086 15.755 13.849 12.264 10.925 9.779 8.786 7.914 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.089 15.759 13.853 12.267 10.928 9.783 8.789 7.917 7.142 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.095 15.764 13.858 12.272 10.934 9.788 8.795 7.923 7.148 6.449 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.103 15.772 13.866 12.280 10.941 9.795 8.802 7.931 7.156 6.458 5.816 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.114 15.783 13.877 12.291 10.951 9.806 8.813 7.941 7.168 6.471 5.830 5.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.128 15.798 13.891 12.305 10.965 9.819 8.826 7.956 7.183 6.487 5.849 5.252 4.688 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.147 15.817 13.910 12.323 10.983 9.837 8.844 7.974 7.202 6.508 5.873 5.280 4.719 4.213 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.171 15.841 13.934 12.346 11.006 9.860 8.867 7.998 7.227 6.535 5.903 5.316 4.762 4.244 3.885 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.189 15.860 13.952 12.364 11.023 9.877 8.885 8.016 7.246 6.555 5.926 5.343 4.794 4.276 3.805 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.216 15.887 13.978 12.389 11.048 9.902 8.910 8.042 7.273 6.584 5.958 5.381 4.841 4.329 3.812 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.242 15.913 14.003 12.414 11.072 9.926 8.934 8.067 7.299 6.612 5.990 5.418 4.887 4.384 3.866 7.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.267 15.939 14.029 12.438 11.097 9.950 8.959 8.091 7.325 6.639 6.020 5.454 4.931 4.440 3.935 5.067 6.143 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.292 15.964 14.054 12.463 11.120 9.974 8.982 8.116 7.350 6.666 6.050 5.488 4.973 4.493 4.009 4.479 4.865 5.550 6.551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.317 15.989 14.078 12.487 11.144 9.997 9.006 8.140 7.375 6.693 6.079 5.522 5.013 4.544 4.081 4.221 4.390 4.697 5.182 5.845 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.341 16.014 14.103 12.511 11.167 10.020 9.029 8.163 7.399 6.718 6.107 5.553 5.051 4.592 4.149 4.082 4.153 4.301 4.548 4.913 5.387 5.923 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.365 16.039 14.127 12.534 11.190 10.042 9.051 8.186 7.423 6.744 6.134 5.584 5.087 4.637 4.212 4.001 4.018 4.084 4.212 4.414 4.697 5.054 5.458 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.389 16.063 14.150 12.557 11.213 10.065 9.074 8.209 7.447 6.768 6.161 5.614 5.121 4.678 4.269 3.951 3.935 3.953 4.013 4.123 4.290 4.516 4.794 5.108 5.435 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.413 16.087 14.174 12.580 11.235 10.087 9.096 8.232 7.470 6.793 6.187 5.642 5.153 4.716 4.319 3.922 3.883 3.870 3.887 3.941 4.035 4.174 4.357 4.580 4.831 5.098 5.365 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.436 16.111 14.197 12.603 11.257 10.109 9.118 8.254 7.493 6.816 6.212 5.670 5.184 4.751 4.364 3.906 3.851 3.817 3.806 3.822 3.869 3.950 4.066 4.217 4.398 4.604 4.825 5.052 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.459 16.134 14.220 12.625 11.279 10.130 9.139 8.276 7.515 6.840 6.237 5.696 5.213 4.783 4.403 3.899 3.833 3.783 3.752 3.742 3.757 3.797 3.866 3.964 4.089 4.240 4.411 4.597 4.793 4.995 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.481 16.157 14.243 12.647 11.301 10.152 9.161 8.297 7.537 6.863 6.261 5.722 5.240 4.812 4.436 3.899 3.823 3.762 3.717 3.688 3.679 3.692 3.726 3.785 3.868 3.973 4.100 4.245 4.404 4.574 4.753 99999.999 99999.999 99999.999 99999.999 99999.999 18.504 16.180 14.265 12.669 11.322 10.173 9.182 8.318 7.559 6.885 6.284 5.746 5.266 4.840 4.465 3.903 3.821 3.751 3.694 3.652 3.626 3.617 3.627 3.657 3.706 3.777 3.866 3.974 4.098 4.236 4.385 4.544 4.712 99999.999 99999.999 99999.999 18.526 16.203 14.288 12.691 11.343 10.194 9.202 8.339 7.580 6.908 6.307 5.770 5.291 4.865 4.491 3.911 3.824 3.747 3.682 3.629 3.590 3.565 3.556 3.564 3.588 3.631 3.690 3.767 3.860 3.967 4.087 4.219 4.362 4.514 99999.999 99999.999 18.548 16.225 14.310 12.712 11.364 10.214 9.223 8.360 7.602 6.929 6.330 5.794 5.315 4.889 4.515 3.922 3.830 3.748 3.676 3.615 3.566 3.529 3.506 3.496 3.501 3.522 3.558 3.609 3.675 3.755 3.849 3.954 4.072 4.200 4.338 4.486 18.569 16.248 14.331 12.733 11.385 10.235 9.243 8.380 7.622 6.951 6.352 5.817 5.338 4.912 4.537 3.935 3.840 3.753 3.676 3.609 3.551 3.505 3.470 3.447 3.437 3.440 3.457 3.487 3.531 3.588 3.658 3.740 3.834 3.939 4.054 4.179 18.773 16.459 14.539 12.935 11.581 10.427 9.435 8.572 7.818 7.151 6.559 6.030 5.557 5.133 4.754 4.116 4.006 3.902 3.803 3.709 3.621 3.537 3.459 3.385 3.317 3.254 3.196 3.142 3.094 3.051 3.014 2.981 2.954 2.932 2.915 2.904 18.958 16.652 14.730 13.121 11.762 10.604 9.609 8.746 7.992 7.329 6.742 6.219 5.751 5.331 4.955 4.314 4.202 4.094 3.992 3.893 3.799 3.708 3.622 3.539 3.460 3.384 3.312 3.243 3.177 3.114 3.053 2.996 2.941 2.889 2.840 2.793 19.128 16.832 14.908 13.294 11.930 10.768 9.770 8.906 8.152 7.491 6.907 6.387 5.924 5.509 5.137 4.501 4.389 4.282 4.179 4.080 3.985 3.894 3.806 3.722 3.640 3.562 3.487 3.414 3.344 3.276 3.211 3.148 3.086 3.027 2.970 2.914 19.287 17.001 15.075 13.457 12.089 10.922 9.921 9.055 8.300 7.640 7.057 6.541 6.081 5.670 5.302 4.674 4.563 4.457 4.354 4.256 4.162 4.072 3.984 3.900 3.819 3.741 3.666 3.593 3.523 3.455 3.389 3.325 3.263 3.202 3.143 3.086 19.436 17.161 15.234 13.612 12.239 11.068 10.063 9.195 8.439 7.778 7.197 6.683 6.226 5.818 5.453 4.832 4.722 4.617 4.517 4.420 4.327 4.237 4.151 4.068 3.988 3.911 3.837 3.765 3.696 3.628 3.563 3.500 3.439 3.379 3.321 3.264 19.577 17.314 15.386 13.760 12.382 11.208 10.199 9.328 8.570 7.909 7.327 6.814 6.360 5.955 5.593 4.978 4.869 4.766 4.666 4.571 4.479 4.391 4.306 4.224 4.145 4.069 3.996 3.926 3.858 3.792 3.728 3.666 3.606 3.547 3.491 3.435 19.712 17.461 15.532 13.902 12.520 11.341 10.329 9.455 8.696 8.032 7.451 6.938 6.485 6.082 5.722 5.113 5.006 4.903 4.805 4.710 4.620 4.532 4.449 4.368 4.291 4.216 4.144 4.075 4.008 3.943 3.881 3.820 3.761 3.704 3.649 3.595 99999.999 17.604 15.673 14.039 12.653 11.470 10.455 9.577 8.815 8.151 7.568 7.056 6.603 6.201 5.844 5.238 5.132 5.031 4.933 4.840 4.750 4.664 4.582 4.502 4.426 4.352 4.281 4.213 4.147 4.084 4.022 3.963 3.905 3.850 3.795 3.743 YbO2H,aq YbO2H(AQ) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 3.000 Ref: Shock07 3 -3.000 1 2.000 2 1.000 64 27.364 23.878 21.088 18.812 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.364 23.878 21.088 18.812 16.929 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.365 23.879 21.088 18.813 16.930 15.352 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.366 23.880 21.090 18.814 16.931 15.354 14.016 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.368 23.882 21.092 18.816 16.934 15.356 14.018 12.870 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.371 23.886 21.095 18.820 16.937 15.359 14.021 12.874 11.878 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.376 23.891 21.100 18.825 16.942 15.364 14.027 12.879 11.884 11.007 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.383 23.898 21.108 18.832 16.949 15.372 14.034 12.887 11.892 11.017 10.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.393 23.908 21.118 18.842 16.959 15.382 14.045 12.898 11.904 11.030 10.246 9.525 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.406 23.922 21.131 18.855 16.972 15.395 14.058 12.913 11.920 11.047 10.266 9.549 8.882 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.422 23.939 21.149 18.873 16.989 15.412 14.076 12.931 11.940 11.069 10.292 9.581 8.920 8.323 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.443 23.961 21.171 18.894 17.011 15.434 14.099 12.955 11.965 11.097 10.324 9.621 8.969 8.364 7.927 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.459 23.978 21.188 18.911 17.028 15.451 14.116 12.973 11.984 11.119 10.349 9.652 9.008 8.404 7.846 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.482 24.002 21.212 18.935 17.051 15.475 14.140 12.998 12.011 11.149 10.384 9.694 9.062 8.469 7.866 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.504 24.026 21.235 18.958 17.074 15.498 14.164 13.023 12.038 11.178 10.417 9.735 9.114 8.535 7.936 12.144 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.526 24.049 21.258 18.981 17.097 15.521 14.187 13.047 12.064 11.206 10.449 9.774 9.164 8.601 8.023 9.381 10.593 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.547 24.072 21.281 19.003 17.119 15.543 14.210 13.071 12.089 11.233 10.481 9.812 9.212 8.664 8.113 8.722 9.168 9.944 11.055 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.568 24.094 21.303 19.025 17.141 15.565 14.232 13.095 12.114 11.260 10.511 9.848 9.257 8.723 8.201 8.434 8.638 8.994 9.548 10.291 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.588 24.116 21.325 19.047 17.163 15.587 14.254 13.117 12.138 11.286 10.540 9.882 9.299 8.779 8.283 8.280 8.374 8.554 8.845 9.264 9.801 10.394 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.608 24.137 21.347 19.068 17.184 15.608 14.276 13.140 12.161 11.312 10.569 9.915 9.339 8.830 8.358 8.189 8.223 8.312 8.471 8.712 9.042 9.450 9.904 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.628 24.158 21.368 19.089 17.205 15.629 14.297 13.162 12.184 11.337 10.596 9.947 9.377 8.877 8.425 8.135 8.131 8.167 8.250 8.389 8.592 8.859 9.182 9.541 9.908 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.647 24.179 21.389 19.110 17.225 15.649 14.318 13.183 12.207 11.361 10.623 9.977 9.412 8.920 8.484 8.102 8.074 8.075 8.111 8.188 8.311 8.483 8.704 8.966 9.259 9.564 9.868 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.666 24.200 21.410 19.130 17.245 15.669 14.338 13.204 12.229 11.384 10.648 10.005 9.445 8.958 8.536 8.085 8.038 8.016 8.021 8.057 8.127 8.236 8.383 8.569 8.788 9.032 9.291 9.555 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.685 24.220 21.430 19.150 17.265 15.689 14.359 13.225 12.251 11.408 10.673 10.033 9.475 8.994 8.580 8.077 8.018 7.979 7.961 7.969 8.003 8.068 8.164 8.292 8.451 8.637 8.845 9.068 9.302 9.540 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.703 24.240 21.450 19.170 17.285 15.709 14.378 13.245 12.272 11.430 10.698 10.059 9.504 9.026 8.618 8.076 8.008 7.956 7.923 7.909 7.918 7.952 8.010 8.096 8.208 8.346 8.507 8.687 8.883 9.091 9.308 99999.999 99999.999 99999.999 99999.999 99999.999 27.721 24.259 21.469 19.190 17.304 15.728 14.398 13.266 12.293 11.452 10.721 10.084 9.531 9.055 8.650 8.081 8.005 7.944 7.898 7.870 7.860 7.870 7.902 7.955 8.032 8.131 8.253 8.394 8.553 8.727 8.914 9.112 9.321 99999.999 99999.999 99999.999 27.738 24.279 21.489 19.209 17.323 15.747 14.417 13.285 12.314 11.474 10.744 10.109 9.557 9.082 8.678 8.090 8.008 7.939 7.884 7.844 7.820 7.813 7.824 7.853 7.903 7.972 8.061 8.169 8.295 8.437 8.593 8.763 8.945 9.139 99999.999 99999.999 27.756 24.298 21.508 19.228 17.342 15.765 14.436 13.305 12.334 11.495 10.767 10.133 9.582 9.107 8.703 8.102 8.015 7.940 7.878 7.829 7.794 7.774 7.768 7.780 7.808 7.853 7.916 7.996 8.094 8.207 8.335 8.477 8.633 8.801 8.980 9.172 27.773 24.316 21.527 19.246 17.360 15.784 14.454 13.324 12.354 11.516 10.789 10.156 9.606 9.131 8.726 8.115 8.025 7.946 7.878 7.822 7.778 7.747 7.730 7.726 7.738 7.764 7.806 7.864 7.937 8.025 8.128 8.245 8.376 8.518 8.674 8.841 27.928 24.489 21.702 19.420 17.531 15.954 14.626 13.499 12.535 11.706 10.989 10.366 9.825 9.356 8.950 8.306 8.201 8.103 8.012 7.929 7.852 7.781 7.717 7.660 7.608 7.563 7.524 7.491 7.465 7.444 7.430 7.422 7.420 7.425 7.436 7.453 28.060 24.641 21.857 19.574 17.683 16.105 14.777 13.651 12.692 11.869 11.159 10.545 10.013 9.551 9.151 8.509 8.402 8.302 8.209 8.121 8.039 7.962 7.890 7.823 7.761 7.703 7.650 7.600 7.555 7.514 7.476 7.441 7.410 7.383 7.358 7.337 28.174 24.776 21.996 19.713 17.820 16.240 14.912 13.787 12.830 12.012 11.308 10.701 10.176 9.721 9.328 8.696 8.591 8.492 8.399 8.312 8.230 8.153 8.081 8.013 7.949 7.890 7.834 7.782 7.733 7.687 7.645 7.605 7.568 7.533 7.501 7.470 28.274 24.899 22.124 19.839 17.946 16.364 15.035 13.910 12.955 12.139 11.440 10.838 10.319 9.871 9.485 8.864 8.761 8.665 8.573 8.488 8.408 8.332 8.261 8.195 8.133 8.074 8.019 7.968 7.920 7.874 7.832 7.792 7.755 7.720 7.687 7.655 28.364 25.011 22.241 19.957 18.061 16.478 15.148 14.023 13.068 12.254 11.558 10.961 10.447 10.005 9.624 9.015 8.914 8.820 8.731 8.647 8.569 8.495 8.427 8.362 8.302 8.245 8.192 8.142 8.096 8.052 8.012 7.974 7.938 7.904 7.873 7.843 28.445 25.115 22.349 20.066 18.169 16.585 15.253 14.128 13.173 12.360 11.666 11.072 10.563 10.125 9.749 9.151 9.052 8.960 8.873 8.791 8.715 8.643 8.577 8.514 8.456 8.401 8.350 8.302 8.258 8.216 8.178 8.142 8.108 8.076 8.047 8.020 28.518 25.212 22.452 20.168 18.271 16.685 15.351 14.225 13.271 12.459 11.766 11.174 10.668 10.234 9.863 9.274 9.177 9.086 9.001 8.921 8.847 8.777 8.713 8.652 8.595 8.543 8.494 8.448 8.405 8.366 8.329 8.295 8.263 8.234 8.207 8.181 99999.999 25.304 22.548 20.265 18.367 16.779 15.444 14.317 13.362 12.551 11.859 11.269 10.765 10.334 9.966 9.385 9.290 9.201 9.118 9.040 8.967 8.899 8.836 8.777 8.722 8.671 8.624 8.580 8.539 8.502 8.467 8.434 8.405 8.377 8.352 8.328 YbO2- YbO2- P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 4.000 Ref: Shock07 3 -4.000 1 2.000 2 1.000 64 36.730 32.674 29.371 26.635 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.730 32.674 29.371 26.635 24.340 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.731 32.675 29.371 26.636 24.341 22.395 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.732 32.676 29.372 26.637 24.342 22.396 20.729 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.733 32.678 29.374 26.639 24.344 22.397 20.731 19.292 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.736 32.681 29.377 26.642 24.347 22.400 20.733 19.295 18.044 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.741 32.686 29.382 26.646 24.351 22.404 20.738 19.299 18.048 16.955 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.747 32.692 29.388 26.652 24.357 22.410 20.743 19.304 18.054 16.960 15.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.756 32.701 29.397 26.661 24.366 22.419 20.752 19.312 18.062 16.968 16.007 15.160 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.767 32.713 29.409 26.673 24.377 22.430 20.762 19.323 18.073 16.979 16.017 15.170 14.444 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.782 32.729 29.425 26.688 24.391 22.444 20.776 19.337 18.086 16.993 16.031 15.184 14.451 13.896 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.800 32.749 29.445 26.707 24.410 22.462 20.794 19.354 18.104 17.010 16.049 15.203 14.466 13.868 13.686 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.815 32.764 29.460 26.722 24.424 22.476 20.807 19.368 18.117 17.024 16.063 15.218 14.479 13.864 13.475 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.835 32.786 29.481 26.742 24.444 22.495 20.827 19.387 18.136 17.043 16.083 15.239 14.500 13.872 13.369 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.854 32.807 29.502 26.763 24.464 22.514 20.845 19.405 18.154 17.061 16.102 15.260 14.523 13.889 13.344 18.985 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.874 32.828 29.523 26.783 24.483 22.533 20.864 19.424 18.172 17.080 16.121 15.280 14.545 13.912 13.353 15.156 16.878 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.893 32.848 29.543 26.802 24.502 22.551 20.882 19.441 18.190 17.098 16.140 15.300 14.568 13.936 13.377 14.197 14.858 15.995 17.683 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.911 32.868 29.563 26.822 24.521 22.570 20.900 19.459 18.208 17.115 16.158 15.320 14.589 13.960 13.408 13.740 14.066 14.610 15.446 16.595 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.929 32.888 29.582 26.841 24.539 22.587 20.917 19.476 18.225 17.132 16.176 15.339 14.610 13.984 13.439 13.469 13.640 13.935 14.391 15.044 15.893 16.883 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.947 32.907 29.602 26.859 24.557 22.605 20.934 19.493 18.242 17.149 16.193 15.357 14.630 14.006 13.469 13.288 13.372 13.536 13.803 14.192 14.720 15.382 16.146 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.965 32.926 29.621 26.878 24.575 22.622 20.951 19.510 18.258 17.166 16.210 15.374 14.649 14.027 13.497 13.160 13.188 13.275 13.431 13.672 14.008 14.446 14.981 15.592 16.245 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.982 32.945 29.639 26.896 24.593 22.639 20.968 19.526 18.274 17.182 16.226 15.391 14.666 14.045 13.520 13.065 13.056 13.090 13.177 13.325 13.542 13.835 14.206 14.649 15.151 15.691 16.247 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.999 32.964 29.658 26.914 24.610 22.656 20.984 19.542 18.290 17.198 16.242 15.407 14.682 14.062 13.540 12.993 12.956 12.955 12.994 13.080 13.218 13.414 13.671 13.990 14.365 14.787 15.242 15.717 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.015 32.982 29.676 26.931 24.627 22.672 21.000 19.558 18.306 17.214 16.258 15.422 14.697 14.076 13.555 12.938 12.880 12.852 12.857 12.899 12.983 13.111 13.289 13.517 13.794 14.116 14.477 14.867 15.277 15.698 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.032 33.000 29.694 26.949 24.644 22.689 21.016 19.573 18.321 17.229 16.273 15.437 14.712 14.089 13.567 12.895 12.821 12.772 12.752 12.762 12.805 12.886 13.005 13.166 13.369 13.612 13.893 14.206 14.545 14.903 15.275 99999.999 99999.999 99999.999 99999.999 99999.999 37.048 33.017 29.711 26.966 24.660 22.704 21.031 19.589 18.337 17.244 16.288 15.452 14.725 14.100 13.576 12.860 12.774 12.710 12.669 12.655 12.668 12.712 12.789 12.900 13.046 13.228 13.444 13.691 13.965 14.263 14.579 14.910 15.252 99999.999 99999.999 99999.999 37.063 33.035 29.728 26.983 24.676 22.720 21.047 19.604 18.351 17.259 16.302 15.466 14.737 14.111 13.582 12.834 12.737 12.659 12.603 12.570 12.560 12.577 12.621 12.693 12.796 12.930 13.093 13.286 13.505 13.748 14.012 14.293 14.589 14.897 99999.999 99999.999 37.079 33.052 29.745 26.999 24.692 22.736 21.062 19.619 18.366 17.273 16.317 15.479 14.750 14.120 13.587 12.812 12.707 12.619 12.550 12.501 12.474 12.468 12.487 12.530 12.599 12.694 12.816 12.964 13.137 13.333 13.550 13.786 14.038 14.304 14.582 14.870 37.094 33.068 29.762 27.016 24.708 22.751 21.077 19.633 18.381 17.288 16.331 15.493 14.762 14.130 13.592 12.796 12.683 12.586 12.507 12.446 12.404 12.381 12.379 12.398 12.440 12.505 12.594 12.705 12.840 12.996 13.172 13.367 13.579 13.806 14.046 14.298 37.233 33.224 29.919 27.168 24.855 22.893 21.215 19.769 18.514 17.420 16.461 15.620 14.880 14.232 13.667 12.761 12.612 12.475 12.347 12.230 12.123 12.025 11.937 11.859 11.790 11.731 11.682 11.641 11.611 11.589 11.577 11.573 11.579 11.593 11.616 11.647 37.352 33.362 30.058 27.304 24.986 23.020 21.337 19.888 18.632 17.536 16.577 15.733 14.991 14.337 13.761 12.816 12.656 12.505 12.363 12.229 12.103 11.985 11.874 11.771 11.674 11.584 11.501 11.424 11.353 11.287 11.228 11.174 11.126 11.082 11.044 11.010 37.456 33.485 30.183 27.427 25.105 23.134 21.448 19.995 18.737 17.640 16.680 15.836 15.092 14.435 13.855 12.893 12.728 12.572 12.423 12.283 12.149 12.023 11.903 11.789 11.682 11.581 11.485 11.394 11.309 11.229 11.153 11.081 11.014 10.951 10.892 10.836 37.548 33.597 30.298 27.539 25.214 23.239 21.549 20.093 18.832 17.734 16.773 15.928 15.183 14.526 13.944 12.974 12.807 12.648 12.496 12.352 12.215 12.085 11.961 11.843 11.731 11.625 11.523 11.427 11.335 11.248 11.165 11.087 11.012 10.940 10.873 10.808 37.630 33.700 30.404 27.644 25.315 23.337 21.643 20.184 18.920 17.820 16.857 16.012 15.267 14.609 14.027 13.053 12.884 12.724 12.571 12.426 12.287 12.155 12.029 11.909 11.794 11.685 11.581 11.482 11.387 11.297 11.211 11.129 11.050 10.976 10.904 10.836 37.705 33.796 30.504 27.742 25.410 23.428 21.731 20.269 19.002 17.900 16.936 16.090 15.345 14.686 14.103 13.127 12.959 12.798 12.644 12.498 12.358 12.225 12.098 11.977 11.861 11.751 11.645 11.545 11.449 11.357 11.269 11.186 11.105 11.029 10.956 10.885 37.774 33.886 30.597 27.834 25.500 23.514 21.814 20.348 19.079 17.975 17.009 16.162 15.416 14.757 14.174 13.198 13.029 12.868 12.714 12.567 12.427 12.293 12.166 12.044 11.927 11.816 11.710 11.609 11.512 11.420 11.331 11.247 11.166 11.089 11.014 10.944 99999.999 33.971 30.686 27.922 25.585 23.596 21.892 20.424 19.153 18.046 17.079 16.230 15.483 14.824 14.241 13.264 13.095 12.933 12.779 12.632 12.492 12.358 12.230 12.108 11.992 11.880 11.774 11.672 11.575 11.482 11.393 11.308 11.227 11.149 11.075 11.004 YbNO3+2 YbNO3+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 6 -1.000 1 -1.000 2 -1.000 6 1.000 64 1.000 32 1.000 4 93.177 85.243 78.386 72.418 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.177 85.243 78.386 72.418 67.174 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.178 85.244 78.387 72.419 67.175 62.525 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.180 85.246 78.388 72.420 67.177 62.527 58.366 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.183 85.249 78.391 72.423 67.179 62.529 58.368 54.613 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.188 85.253 78.395 72.427 67.183 62.533 58.373 54.617 51.199 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.196 85.260 78.402 72.433 67.189 62.539 58.379 54.624 51.206 48.067 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.207 85.270 78.411 72.442 67.198 62.548 58.388 54.633 51.216 48.079 45.167 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.223 85.284 78.423 72.454 67.210 62.560 58.400 54.646 51.231 48.095 45.186 42.451 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.243 85.302 78.440 72.470 67.225 62.576 58.416 54.663 51.249 48.116 45.212 42.485 39.879 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.270 85.325 78.462 72.491 67.246 62.596 58.437 54.686 51.274 48.144 45.244 42.526 39.937 37.405 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.304 85.355 78.490 72.517 67.272 62.622 58.464 54.714 51.304 48.178 45.285 42.578 40.008 37.512 34.938 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.330 85.378 78.511 72.537 67.292 62.642 58.485 54.735 51.327 48.204 45.316 42.617 40.061 37.588 35.067 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.367 85.411 78.541 72.566 67.320 62.670 58.514 54.766 51.360 48.241 45.359 42.670 40.132 37.691 35.234 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.403 85.443 78.571 72.595 67.348 62.698 58.542 54.796 51.392 48.276 45.400 42.721 40.198 37.785 35.384 31.311 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.439 85.474 78.600 72.623 67.375 62.726 58.570 54.825 51.424 48.311 45.440 42.770 40.261 37.872 35.519 31.617 30.721 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.474 85.505 78.629 72.650 67.402 62.752 58.597 54.854 51.454 48.345 45.479 42.816 40.320 37.952 35.642 31.747 30.933 30.077 29.089 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.508 85.536 78.657 72.677 67.428 62.779 58.624 54.882 51.485 48.378 45.516 42.861 40.376 38.027 35.753 31.854 31.064 30.267 29.442 28.544 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.542 85.566 78.685 72.704 67.455 62.805 58.651 54.909 51.514 48.410 45.553 42.903 40.429 38.096 35.854 31.949 31.173 30.400 29.620 28.821 27.978 27.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.575 85.595 78.713 72.730 67.480 62.831 58.677 54.937 51.543 48.441 45.588 42.944 40.479 38.160 35.945 32.035 31.269 30.510 29.753 28.991 28.216 27.413 26.569 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.608 85.625 78.740 72.756 67.506 62.856 58.703 54.963 51.571 48.472 45.622 42.984 40.526 38.220 36.028 32.115 31.356 30.607 29.864 29.123 28.380 27.627 26.858 26.064 25.241 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.641 85.654 78.767 72.782 67.531 62.881 58.728 54.990 51.599 48.502 45.655 43.022 40.571 38.276 36.103 32.188 31.437 30.695 29.962 29.235 28.510 27.785 27.055 26.314 25.560 24.791 24.007 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.672 85.682 78.793 72.807 67.555 62.905 58.753 55.015 51.626 48.531 45.687 43.058 40.614 38.327 36.170 32.257 31.511 30.776 30.051 29.334 28.622 27.914 27.207 26.498 25.784 25.064 24.336 23.603 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.704 85.710 78.819 72.832 67.579 62.929 58.777 55.041 51.653 48.560 45.719 43.094 40.655 38.376 36.231 32.322 31.581 30.852 30.133 29.423 28.722 28.026 27.334 26.645 25.957 25.267 24.576 23.883 23.191 22.501 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.735 85.738 78.845 72.857 67.603 62.953 58.802 55.066 51.679 48.588 45.750 43.128 40.693 38.421 36.286 32.384 31.647 30.923 30.209 29.506 28.812 28.125 27.445 26.770 26.099 25.430 24.763 24.098 23.436 22.777 22.125 99999.999 99999.999 99999.999 99999.999 99999.999 93.765 85.765 78.871 72.881 67.627 62.977 58.825 55.090 51.705 48.616 45.779 43.161 40.730 38.463 36.337 32.443 31.710 30.989 30.281 29.583 28.896 28.216 27.545 26.880 26.221 25.567 24.918 24.272 23.631 22.996 22.366 21.745 21.134 99999.999 99999.999 99999.999 93.795 85.792 78.896 72.905 67.650 63.000 58.849 55.114 51.730 48.643 45.809 43.193 40.766 38.503 36.383 32.499 31.769 31.053 30.349 29.656 28.973 28.301 27.636 26.980 26.330 25.687 25.051 24.419 23.794 23.175 22.563 21.959 21.365 20.783 99999.999 99999.999 93.825 85.818 78.920 72.928 67.673 63.023 58.872 55.138 51.755 48.669 45.837 43.224 40.800 38.541 36.426 32.553 31.826 31.113 30.413 29.724 29.047 28.379 27.721 27.071 26.429 25.795 25.168 24.548 23.934 23.328 22.729 22.139 21.558 20.988 20.429 19.884 93.854 85.844 78.945 72.952 67.696 63.045 58.895 55.162 51.780 48.695 45.865 43.255 40.834 38.578 36.467 32.605 31.881 31.171 30.474 29.789 29.116 28.453 27.800 27.156 26.520 25.893 25.274 24.662 24.058 23.461 22.873 22.293 21.723 21.162 20.613 20.076 94.125 86.089 79.173 73.170 67.909 63.256 59.107 55.379 52.006 48.934 46.120 43.529 41.131 38.902 36.823 33.040 32.335 31.646 30.972 30.312 29.664 29.030 28.407 27.796 27.195 26.606 26.026 25.456 24.895 24.344 23.801 23.268 22.743 22.227 21.719 21.220 94.365 86.307 79.378 73.366 68.099 63.444 59.296 55.571 52.203 49.140 46.338 43.760 41.379 39.169 37.110 33.378 32.685 32.008 31.346 30.699 30.066 29.446 28.839 28.244 27.661 27.089 26.527 25.976 25.435 24.903 24.380 23.866 23.361 22.864 22.376 21.895 94.578 86.503 79.563 73.543 68.272 63.614 59.466 55.743 52.379 49.323 46.528 43.962 41.592 39.396 37.353 33.656 32.971 32.303 31.650 31.012 30.388 29.778 29.181 28.597 28.024 27.463 26.913 26.374 25.844 25.325 24.815 24.314 23.821 23.337 22.862 22.394 94.770 86.681 79.731 73.705 68.430 63.770 59.620 55.899 52.538 49.486 46.699 44.140 41.780 39.595 37.563 33.894 33.215 32.553 31.907 31.275 30.658 30.055 29.466 28.889 28.324 27.771 27.229 26.698 26.177 25.666 25.165 24.673 24.189 23.715 23.248 22.790 94.946 86.845 79.886 73.854 68.575 63.913 59.763 56.042 52.684 49.635 46.852 44.300 41.948 39.771 37.749 34.101 33.427 32.770 32.129 31.502 30.891 30.293 29.709 29.138 28.579 28.032 27.496 26.971 26.457 25.952 25.458 24.972 24.496 24.028 23.569 23.117 95.107 86.996 80.030 73.993 68.710 64.046 59.895 56.174 52.817 49.772 46.993 44.445 42.099 39.929 37.915 34.285 33.615 32.962 32.324 31.702 31.095 30.502 29.922 29.355 28.801 28.258 27.727 27.207 26.698 26.199 25.709 25.229 24.758 24.295 23.841 23.395 95.257 87.137 80.163 74.121 68.835 64.169 60.018 56.297 52.942 49.898 47.122 44.578 42.237 40.073 38.066 34.450 33.783 33.133 32.499 31.880 31.276 30.687 30.110 29.547 28.997 28.458 27.931 27.415 26.909 26.414 25.929 25.453 24.986 24.527 24.078 23.636 99999.999 87.268 80.289 74.242 68.953 64.285 60.133 56.412 53.057 50.015 47.242 44.702 42.364 40.205 38.203 34.600 33.935 33.288 32.657 32.041 31.440 30.853 30.280 29.719 29.172 28.636 28.112 27.599 27.097 26.605 26.123 25.650 25.187 24.732 24.286 23.847 YbH2PO4+2 YbH2PO4+2 P-T:All Charge = 2. 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-10.421 -10.824 -11.266 -11.746 -12.267 -12.848 -13.935 -14.192 -14.459 -14.736 -15.026 -15.332 -15.659 -16.011 -16.396 -16.821 -17.287 -17.792 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.624 -9.187 -9.008 -8.982 -9.061 -9.218 -9.438 -9.709 -10.027 -10.386 -10.784 -11.219 -11.688 -12.193 -12.746 -13.836 -14.086 -14.343 -14.610 -14.887 -15.177 -15.481 -15.803 -16.145 -16.512 -16.907 -17.329 -17.776 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.603 -9.166 -8.987 -8.961 -9.040 -9.196 -9.414 -9.683 -9.998 -10.353 -10.746 -11.173 -11.633 -12.125 -12.656 -13.743 -13.985 -14.235 -14.493 -14.760 -15.037 -15.325 -15.625 -15.941 -16.274 -16.624 -16.994 -17.382 -17.784 -18.197 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.582 -9.146 -8.967 -8.940 -9.018 -9.174 -9.390 -9.657 -9.969 -10.320 -10.708 -11.129 -11.581 -12.062 -12.575 -13.654 -13.890 -14.133 -14.383 -14.641 -14.907 -15.183 -15.469 -15.766 -16.075 -16.397 -16.732 -17.080 -17.439 -17.807 -18.178 99999.999 99999.999 99999.999 99999.999 99999.999 -9.561 -9.125 -8.947 -8.920 -8.998 -9.152 -9.367 -9.632 -9.941 -10.289 -10.672 -11.087 -11.531 -12.003 -12.502 -13.570 -13.800 -14.037 -14.280 -14.530 -14.787 -15.053 -15.326 -15.609 -15.901 -16.203 -16.515 -16.836 -17.165 -17.500 -17.839 -18.178 -18.512 99999.999 99999.999 99999.999 -9.541 -9.105 -8.927 -8.900 -8.977 -9.130 -9.344 -9.607 -9.913 -10.257 -10.637 -11.047 -11.485 -11.948 -12.437 -13.489 -13.715 -13.946 -14.182 -14.425 -14.675 -14.931 -15.195 -15.466 -15.745 -16.032 -16.327 -16.628 -16.936 -17.248 -17.563 -17.878 -18.190 -18.496 99999.999 99999.999 -9.521 -9.086 -8.907 -8.880 -8.957 -9.109 -9.321 -9.582 -9.886 -10.227 -10.602 -11.007 -11.440 -11.897 -12.377 -13.412 -13.633 -13.859 -14.090 -14.326 -14.569 -14.818 -15.073 -15.335 -15.603 -15.878 -16.159 -16.445 -16.737 -17.032 -17.329 -17.626 -17.921 -18.211 -18.494 -18.766 -9.502 -9.066 -8.888 -8.861 -8.937 -9.088 -9.299 -9.558 -9.859 -10.197 -10.568 -10.969 -11.396 -11.847 -12.321 -13.338 -13.555 -13.775 -14.001 -14.232 -14.469 -14.711 -14.959 -15.212 -15.471 -15.736 -16.006 -16.281 -16.560 -16.842 -17.125 -17.409 -17.690 -17.968 -18.240 -18.504 -9.327 -8.888 -8.709 -8.680 -8.752 -8.895 -9.094 -9.337 -9.617 -9.929 -10.268 -10.632 -11.016 -11.420 -11.839 -12.725 -12.909 -13.097 -13.287 -13.479 -13.675 -13.873 -14.074 -14.278 -14.485 -14.694 -14.906 -15.120 -15.337 -15.555 -15.775 -15.997 -16.219 -16.441 -16.663 -16.885 -9.181 -8.734 -8.552 -8.520 -8.588 -8.725 -8.915 -9.146 -9.410 -9.702 -10.018 -10.354 -10.708 -11.077 -11.460 -12.259 -12.424 -12.590 -12.759 -12.929 -13.101 -13.275 -13.451 -13.628 -13.807 -13.988 -14.171 -14.356 -14.542 -14.730 -14.919 -15.110 -15.302 -15.496 -15.690 -15.885 -9.060 -8.598 -8.411 -8.377 -8.440 -8.573 -8.756 -8.977 -9.229 -9.505 -9.803 -10.118 -10.448 -10.792 -11.146 -11.882 -12.033 -12.185 -12.338 -12.493 -12.649 -12.806 -12.965 -13.125 -13.286 -13.449 -13.612 -13.777 -13.944 -14.111 -14.280 -14.451 -14.622 -14.794 -14.968 -15.143 -8.956 -8.478 -8.285 -8.247 -8.307 -8.435 -8.611 -8.825 -9.067 -9.331 -9.614 -9.913 -10.224 -10.547 -10.879 -11.565 -11.706 -11.847 -11.989 -12.132 -12.276 -12.422 -12.568 -12.715 -12.863 -13.012 -13.161 -13.312 -13.464 -13.617 -13.771 -13.927 -14.083 -14.240 -14.398 -14.557 -8.867 -8.371 -8.171 -8.129 -8.185 -8.308 -8.480 -8.687 -8.921 -9.175 -9.447 -9.732 -10.028 -10.334 -10.647 -11.294 -11.425 -11.558 -11.691 -11.825 -11.960 -12.096 -12.232 -12.369 -12.507 -12.646 -12.785 -12.925 -13.066 -13.208 -13.351 -13.494 -13.639 -13.784 -13.930 -14.077 -8.791 -8.274 -8.067 -8.020 -8.073 -8.192 -8.359 -8.561 -8.788 -9.034 -9.296 -9.569 -9.853 -10.145 -10.443 -11.056 -11.181 -11.307 -11.433 -11.559 -11.687 -11.815 -11.943 -12.072 -12.202 -12.332 -12.463 -12.595 -12.727 -12.860 -12.994 -13.129 -13.264 -13.400 -13.537 -13.675 -8.724 -8.186 -7.971 -7.920 -7.968 -8.084 -8.247 -8.444 -8.665 -8.904 -9.158 -9.422 -9.695 -9.975 -10.261 -10.846 -10.965 -11.085 -11.205 -11.325 -11.446 -11.568 -11.690 -11.813 -11.936 -12.059 -12.184 -12.308 -12.434 -12.560 -12.686 -12.814 -12.942 -13.070 -13.200 -13.330 99999.999 -8.104 -7.883 -7.827 -7.872 -7.984 -8.143 -8.335 -8.551 -8.785 -9.031 -9.288 -9.552 -9.822 -10.097 -10.659 -10.773 -10.887 -11.002 -11.117 -11.233 -11.349 -11.466 -11.583 -11.701 -11.819 -11.937 -12.056 -12.176 -12.296 -12.417 -12.539 -12.661 -12.783 -12.907 -13.031 Lu+4 Lu(+4) P-T:All Charge = 4. Radius(Å) = 4.00 Alk. = 0.000 Ref: Shock07 5 1.125 1 0.125 4 1.000 65 -0.125 6 -0.500 2 143.792 132.421 122.741 114.407 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.792 132.421 122.741 114.407 107.158 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.792 132.421 122.741 114.407 107.158 100.794 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.792 132.421 122.741 114.407 107.157 100.794 95.165 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.792 132.421 122.741 114.407 107.157 100.794 95.164 90.150 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.792 132.421 122.741 114.407 107.157 100.793 95.164 90.149 85.655 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.792 132.421 122.741 114.407 107.157 100.793 95.163 90.148 85.654 81.604 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.793 132.422 122.741 114.407 107.156 100.792 95.162 90.147 85.652 81.602 77.938 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.793 132.422 122.741 114.406 107.156 100.791 95.161 90.145 85.650 81.599 77.934 74.604 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.794 132.422 122.741 114.406 107.155 100.790 95.159 90.143 85.647 81.595 77.929 74.598 71.550 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.795 132.422 122.741 114.405 107.154 100.789 95.157 90.140 85.643 81.590 77.922 74.589 71.542 68.703 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.796 132.423 122.741 114.405 107.153 100.787 95.154 90.136 85.638 81.584 77.914 74.578 71.530 68.712 65.927 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.797 132.423 122.741 114.404 107.152 100.786 95.152 90.133 85.634 81.579 77.908 74.569 71.519 68.709 66.051 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.798 132.424 122.741 114.404 107.151 100.784 95.150 90.130 85.629 81.573 77.899 74.557 71.503 68.695 66.102 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.800 132.424 122.741 114.403 107.150 100.782 95.147 90.126 85.624 81.566 77.890 74.545 71.487 68.677 66.101 56.947 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.801 132.425 122.741 114.403 107.149 100.780 95.144 90.122 85.620 81.560 77.882 74.534 71.471 68.657 66.081 59.596 57.465 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.803 132.426 122.741 114.402 107.148 100.778 95.142 90.119 85.615 81.554 77.874 74.523 71.456 68.636 66.053 60.233 58.837 57.142 55.080 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.805 132.427 122.741 114.402 107.147 100.777 95.140 90.116 85.611 81.549 77.867 74.512 71.441 68.616 66.023 60.528 59.359 58.072 56.611 54.956 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.806 132.427 122.741 114.402 107.146 100.775 95.137 90.113 85.607 81.543 77.859 74.503 71.428 68.598 65.993 60.700 59.634 58.515 57.314 56.005 54.583 53.083 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.808 132.428 122.742 114.401 107.145 100.774 95.135 90.110 85.603 81.538 77.853 74.494 71.416 68.581 65.966 60.813 59.804 58.771 57.698 56.568 55.369 54.100 52.781 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.810 132.429 122.742 114.401 107.145 100.773 95.133 90.107 85.599 81.533 77.846 74.485 71.405 68.566 65.942 60.891 59.918 58.936 57.935 56.905 55.836 54.722 53.563 52.372 51.169 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.812 132.430 122.742 114.401 107.144 100.771 95.131 90.104 85.595 81.528 77.840 74.477 71.395 68.553 65.922 60.948 59.999 59.050 58.095 57.126 56.137 55.120 54.074 52.999 51.904 50.799 49.699 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.814 132.431 122.743 114.401 107.143 100.770 95.129 90.101 85.591 81.523 77.834 74.470 71.386 68.541 65.905 60.991 60.059 59.133 58.208 57.280 56.342 55.390 54.420 53.431 52.424 51.403 50.376 49.351 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.816 132.432 122.743 114.401 107.143 100.769 95.127 90.099 85.588 81.519 77.829 74.463 71.378 68.532 65.892 61.023 60.104 59.195 58.292 57.391 56.489 55.582 54.665 53.736 52.796 51.844 50.884 49.920 48.957 48.000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.818 132.433 122.744 114.401 107.142 100.768 95.126 90.096 85.585 81.515 77.823 74.457 71.371 68.524 65.883 61.047 60.138 59.242 58.355 57.475 56.598 55.722 54.843 53.959 53.068 52.170 51.265 50.355 49.444 48.534 47.628 99999.999 99999.999 99999.999 99999.999 99999.999 143.820 132.434 122.744 114.401 107.142 100.767 95.124 90.094 85.581 81.510 77.818 74.451 71.364 68.517 65.876 61.066 60.165 59.278 58.404 57.539 56.681 55.828 54.977 54.125 53.272 52.415 51.554 50.690 49.824 48.958 48.093 47.232 46.374 99999.999 99999.999 99999.999 143.822 132.435 122.745 114.401 107.141 100.766 95.122 90.091 85.578 81.506 77.813 74.446 71.358 68.512 65.872 61.081 60.186 59.307 58.442 57.589 56.745 55.910 55.080 54.253 53.428 52.602 51.777 50.950 50.122 49.294 48.467 47.642 46.820 46.001 99999.999 99999.999 143.824 132.437 122.745 114.401 107.141 100.765 95.121 90.089 85.575 81.503 77.809 74.440 71.353 68.507 65.868 61.092 60.202 59.329 58.472 57.628 56.796 55.974 55.160 54.352 53.549 52.749 51.950 51.153 50.357 49.561 48.767 47.975 47.185 46.398 45.615 44.835 143.826 132.438 122.746 114.401 107.140 100.764 95.119 90.087 85.572 81.499 77.804 74.435 71.348 68.502 65.866 61.101 60.214 59.347 58.495 57.659 56.836 56.025 55.224 54.431 53.645 52.864 52.088 51.314 50.544 49.776 49.010 48.246 47.485 46.727 45.972 45.221 143.849 132.451 122.754 114.404 107.139 100.758 95.108 90.069 85.548 81.467 77.765 74.390 71.299 68.454 65.825 61.111 60.243 59.397 58.572 57.767 56.982 56.214 55.463 54.729 54.010 53.306 52.615 51.937 51.272 50.619 49.976 49.344 48.721 48.108 47.504 46.909 143.876 132.468 122.764 114.410 107.141 100.756 95.101 90.058 85.530 81.443 77.734 74.353 71.257 68.409 65.779 61.074 60.210 59.370 58.551 57.753 56.976 56.218 55.479 54.757 54.053 53.364 52.692 52.034 51.392 50.763 50.147 49.544 48.954 48.376 47.809 47.253 143.904 132.486 122.776 114.418 107.145 100.756 95.098 90.050 85.518 81.425 77.711 74.324 71.222 68.370 65.737 61.030 60.166 59.327 58.509 57.714 56.938 56.183 55.447 54.729 54.028 53.344 52.677 52.025 51.389 50.767 50.159 49.565 48.984 48.416 47.860 47.316 143.935 132.505 122.790 114.427 107.151 100.758 95.097 90.045 85.509 81.412 77.693 74.301 71.194 68.337 65.700 60.987 60.123 59.283 58.465 57.669 56.894 56.139 55.403 54.686 53.986 53.303 52.637 51.987 51.352 50.732 50.127 49.535 48.957 48.391 47.839 47.298 143.966 132.526 122.805 114.438 107.158 100.762 95.097 90.043 85.503 81.402 77.679 74.282 71.171 68.309 65.668 60.948 60.083 59.242 58.423 57.627 56.851 56.095 55.359 54.641 53.941 53.258 52.592 51.941 51.307 50.687 50.081 49.490 48.912 48.347 47.794 47.254 143.999 132.547 122.820 114.450 107.166 100.768 95.100 90.042 85.499 81.395 77.668 74.268 71.152 68.287 65.641 60.914 60.048 59.205 58.386 57.588 56.811 56.054 55.317 54.598 53.897 53.214 52.547 51.896 51.260 50.640 50.034 49.441 48.863 48.297 47.745 47.204 144.032 132.569 122.837 114.462 107.175 100.774 95.103 90.043 85.497 81.391 77.661 74.257 71.138 68.268 65.619 60.885 60.017 59.173 58.352 57.553 56.775 56.017 55.279 54.559 53.857 53.173 52.505 51.853 51.216 50.595 49.988 49.395 48.816 48.249 47.696 47.154 99999.999 132.591 122.854 114.475 107.185 100.781 95.108 90.045 85.497 81.388 77.655 74.248 71.126 68.253 65.600 60.859 59.990 59.145 58.323 57.523 56.744 55.985 55.245 54.524 53.821 53.136 52.467 51.814 51.176 50.554 49.946 49.352 48.772 48.204 47.650 47.107 LuCO3+ LuCO3+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 3 -1.000 1 1.000 5 1.000 65 1.879 2.039 2.200 2.356 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.879 2.039 2.200 2.356 2.502 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.879 2.039 2.200 2.356 2.502 2.635 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.879 2.039 2.200 2.355 2.502 2.635 2.750 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.879 2.039 2.199 2.355 2.502 2.635 2.750 2.845 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.878 2.038 2.199 2.355 2.502 2.635 2.751 2.846 2.915 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.878 2.038 2.198 2.354 2.501 2.635 2.752 2.847 2.917 2.953 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.877 2.037 2.197 2.354 2.501 2.635 2.752 2.849 2.920 2.958 2.951 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.877 2.035 2.196 2.353 2.501 2.636 2.754 2.851 2.924 2.965 2.962 2.895 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.875 2.033 2.194 2.352 2.500 2.636 2.755 2.854 2.929 2.973 2.975 2.917 2.764 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.873 2.031 2.192 2.350 2.499 2.636 2.757 2.858 2.936 2.984 2.992 2.944 2.811 2.523 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.871 2.027 2.188 2.347 2.498 2.636 2.759 2.863 2.944 2.997 3.012 2.977 2.866 2.627 2.046 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.868 2.024 2.185 2.345 2.496 2.636 2.761 2.867 2.950 3.006 3.027 3.000 2.905 2.697 2.224 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.865 2.019 2.181 2.341 2.494 2.636 2.763 2.871 2.958 3.019 3.047 3.032 2.956 2.785 2.411 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.861 2.014 2.177 2.338 2.492 2.635 2.764 2.875 2.965 3.031 3.066 3.061 3.003 2.863 2.560 0.444 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.857 2.009 2.172 2.334 2.490 2.634 2.765 2.879 2.972 3.042 3.083 3.088 3.045 2.932 2.685 1.941 1.187 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.852 2.004 2.167 2.330 2.487 2.633 2.766 2.882 2.978 3.052 3.099 3.113 3.084 2.994 2.793 2.317 1.986 1.439 0.505 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.847 1.998 2.162 2.326 2.484 2.632 2.766 2.885 2.984 3.062 3.114 3.136 3.119 3.049 2.888 2.530 2.320 2.021 1.580 0.920 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.842 1.992 2.156 2.321 2.481 2.630 2.766 2.887 2.990 3.071 3.128 3.157 3.151 3.099 2.971 2.681 2.528 2.326 2.053 1.677 1.162 0.479 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.836 1.986 2.151 2.317 2.477 2.628 2.766 2.889 2.994 3.079 3.141 3.177 3.181 3.144 3.044 2.799 2.680 2.528 2.334 2.083 1.754 1.329 0.793 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.830 1.979 2.145 2.312 2.473 2.626 2.766 2.891 2.999 3.087 3.154 3.195 3.208 3.185 3.108 2.897 2.800 2.680 2.531 2.346 2.113 1.821 1.458 1.018 0.502 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.824 1.973 2.139 2.307 2.470 2.624 2.765 2.893 3.003 3.094 3.165 3.212 3.233 3.221 3.165 2.980 2.900 2.802 2.683 2.538 2.360 2.144 1.881 1.566 1.194 0.767 0.292 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.818 1.966 2.132 2.301 2.466 2.621 2.765 2.894 3.007 3.101 3.176 3.228 3.255 3.254 3.215 3.053 2.986 2.904 2.806 2.689 2.547 2.378 2.177 1.939 1.660 1.340 0.979 0.582 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.811 1.959 2.126 2.296 2.461 2.618 2.763 2.895 3.010 3.107 3.185 3.242 3.276 3.284 3.258 3.118 3.061 2.992 2.910 2.812 2.697 2.560 2.399 2.212 1.995 1.746 1.466 1.156 0.819 0.461 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.804 1.952 2.119 2.290 2.457 2.615 2.762 2.895 3.013 3.113 3.195 3.256 3.296 3.311 3.297 3.176 3.128 3.070 3.000 2.918 2.821 2.708 2.576 2.423 2.249 2.050 1.827 1.579 1.310 1.020 0.714 99999.999 99999.999 99999.999 99999.999 99999.999 1.797 1.944 2.113 2.284 2.452 2.612 2.761 2.896 3.016 3.119 3.203 3.269 3.313 3.335 3.331 3.230 3.188 3.139 3.079 3.009 2.927 2.831 2.721 2.595 2.451 2.288 2.106 1.904 1.684 1.447 1.195 0.931 0.658 99999.999 99999.999 99999.999 1.789 1.937 2.106 2.279 2.448 2.609 2.759 2.896 3.018 3.124 3.211 3.280 3.330 3.357 3.361 3.279 3.244 3.201 3.150 3.090 3.020 2.938 2.845 2.738 2.617 2.481 2.329 2.162 1.979 1.782 1.572 1.351 1.122 0.885 99999.999 99999.999 1.781 1.929 2.099 2.272 2.443 2.605 2.757 2.896 3.020 3.128 3.219 3.291 3.345 3.378 3.388 3.324 3.294 3.258 3.214 3.163 3.102 3.032 2.952 2.860 2.757 2.642 2.513 2.372 2.219 2.053 1.876 1.689 1.494 1.293 1.087 0.878 1.773 1.921 2.091 2.266 2.438 2.601 2.755 2.896 3.022 3.132 3.226 3.302 3.359 3.397 3.413 3.366 3.341 3.310 3.273 3.228 3.176 3.115 3.046 2.967 2.879 2.779 2.670 2.549 2.418 2.276 2.125 1.966 1.799 1.626 1.448 1.267 1.681 1.832 2.011 2.196 2.379 2.556 2.724 2.881 3.026 3.158 3.276 3.379 3.469 3.543 3.602 3.672 3.677 3.679 3.678 3.674 3.667 3.655 3.641 3.622 3.600 3.575 3.545 3.512 3.475 3.435 3.391 3.344 3.294 3.242 3.186 3.129 1.570 1.728 1.917 2.114 2.309 2.498 2.679 2.850 3.011 3.160 3.297 3.422 3.534 3.635 3.723 3.861 3.883 3.902 3.919 3.934 3.947 3.958 3.966 3.972 3.975 3.976 3.975 3.972 3.966 3.958 3.948 3.936 3.922 3.906 3.887 3.868 1.445 1.613 1.814 2.023 2.229 2.430 2.623 2.807 2.981 3.145 3.298 3.440 3.572 3.692 3.802 3.989 4.022 4.053 4.082 4.109 4.134 4.158 4.180 4.200 4.219 4.235 4.250 4.263 4.275 4.284 4.292 4.298 4.303 4.306 4.307 4.307 1.307 1.489 1.703 1.923 2.142 2.354 2.559 2.755 2.941 3.118 3.285 3.442 3.588 3.725 3.852 4.078 4.119 4.158 4.196 4.232 4.267 4.300 4.332 4.362 4.391 4.418 4.444 4.468 4.490 4.512 4.531 4.549 4.566 4.582 4.595 4.608 1.160 1.357 1.584 1.818 2.048 2.272 2.488 2.695 2.892 3.081 3.260 3.429 3.590 3.741 3.882 4.140 4.187 4.233 4.278 4.321 4.363 4.403 4.443 4.480 4.517 4.552 4.586 4.618 4.649 4.678 4.707 4.734 4.759 4.784 4.806 4.828 1.005 1.219 1.460 1.706 1.949 2.184 2.411 2.628 2.836 3.036 3.226 3.407 3.579 3.742 3.897 4.181 4.234 4.285 4.336 4.385 4.432 4.479 4.524 4.568 4.610 4.652 4.692 4.731 4.768 4.804 4.839 4.873 4.905 4.936 4.966 4.995 0.843 1.076 1.331 1.591 1.845 2.091 2.329 2.556 2.775 2.984 3.184 3.376 3.559 3.733 3.899 4.206 4.264 4.320 4.375 4.429 4.482 4.533 4.584 4.632 4.680 4.727 4.772 4.816 4.859 4.900 4.940 4.980 5.017 5.054 5.089 5.123 99999.999 0.928 1.198 1.471 1.737 1.995 2.243 2.480 2.708 2.927 3.137 3.338 3.530 3.715 3.891 4.219 4.281 4.341 4.401 4.459 4.516 4.571 4.626 4.679 4.731 4.782 4.832 4.880 4.927 4.973 5.018 5.062 5.104 5.145 5.185 5.223 LuHCO3+2 LuHCO3+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 2 1.000 5 1.000 65 -1.981 -1.919 -1.996 -2.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.981 -1.919 -1.996 -2.148 -2.349 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.980 -1.919 -1.996 -2.148 -2.349 -2.585 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.980 -1.919 -1.996 -2.148 -2.349 -2.585 -2.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.980 -1.918 -1.995 -2.147 -2.348 -2.584 -2.850 -3.141 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.979 -1.918 -1.995 -2.147 -2.347 -2.584 -2.849 -3.139 -3.455 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.978 -1.917 -1.994 -2.146 -2.346 -2.582 -2.847 -3.137 -3.452 -3.795 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.976 -1.916 -1.993 -2.145 -2.345 -2.581 -2.845 -3.134 -3.448 -3.790 -4.167 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.974 -1.915 -1.992 -2.143 -2.343 -2.578 -2.841 -3.130 -3.442 -3.782 -4.156 -4.579 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.972 -1.913 -1.990 -2.141 -2.341 -2.575 -2.837 -3.124 -3.435 -3.772 -4.142 -4.558 -5.040 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.969 -1.911 -1.988 -2.139 -2.338 -2.571 -2.832 -3.117 -3.426 -3.759 -4.124 -4.532 -4.999 -5.559 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.965 -1.908 -1.985 -2.136 -2.334 -2.566 -2.825 -3.108 -3.414 -3.744 -4.102 -4.499 -4.950 -5.483 -6.180 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.962 -1.906 -1.984 -2.134 -2.331 -2.562 -2.820 -3.102 -3.405 -3.732 -4.086 -4.476 -4.914 -5.428 -6.101 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.959 -1.904 -1.981 -2.131 -2.327 -2.557 -2.813 -3.093 -3.393 -3.716 -4.064 -4.443 -4.866 -5.353 -5.982 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.956 -1.902 -1.979 -2.129 -2.324 -2.553 -2.807 -3.084 -3.382 -3.701 -4.043 -4.413 -4.821 -5.284 -5.869 -5.876 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.953 -1.901 -1.978 -2.126 -2.321 -2.548 -2.801 -3.076 -3.371 -3.686 -4.023 -4.385 -4.779 -5.220 -5.764 -6.147 -6.189 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.951 -1.899 -1.976 -2.124 -2.318 -2.544 -2.796 -3.068 -3.361 -3.672 -4.004 -4.358 -4.740 -5.162 -5.668 -6.170 -6.287 -6.389 -6.533 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.949 -1.898 -1.975 -2.123 -2.316 -2.540 -2.790 -3.061 -3.351 -3.659 -3.986 -4.333 -4.705 -5.109 -5.582 -6.146 -6.287 -6.419 -6.549 -6.707 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.947 -1.897 -1.974 -2.121 -2.313 -2.537 -2.785 -3.054 -3.342 -3.647 -3.969 -4.310 -4.672 -5.061 -5.504 -6.111 -6.258 -6.403 -6.545 -6.691 -6.858 -7.072 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.946 -1.897 -1.974 -2.120 -2.311 -2.534 -2.781 -3.048 -3.333 -3.635 -3.953 -4.288 -4.641 -5.017 -5.435 -6.072 -6.221 -6.370 -6.518 -6.667 -6.822 -6.992 -7.192 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.945 -1.897 -1.973 -2.119 -2.309 -2.531 -2.776 -3.041 -3.324 -3.623 -3.938 -4.268 -4.613 -4.977 -5.374 -6.032 -6.181 -6.331 -6.481 -6.632 -6.785 -6.944 -7.116 -7.306 -7.522 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.945 -1.897 -1.973 -2.119 -2.308 -2.528 -2.772 -3.036 -3.316 -3.613 -3.924 -4.249 -4.588 -4.942 -5.320 -5.993 -6.141 -6.290 -6.440 -6.591 -6.744 -6.900 -7.061 -7.230 -7.413 -7.612 -7.827 99999.999 99999.999 99999.999 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-6.277 -6.422 -6.568 -6.716 -6.865 -7.016 -7.168 -7.322 -7.477 -7.633 -7.791 -7.949 -8.106 -8.261 -8.412 99999.999 99999.999 99999.999 -1.947 -1.901 -1.976 -2.118 -2.303 -2.518 -2.755 -3.011 -3.281 -3.566 -3.862 -4.169 -4.485 -4.809 -5.139 -5.817 -5.956 -6.097 -6.239 -6.382 -6.527 -6.672 -6.819 -6.968 -7.117 -7.268 -7.419 -7.571 -7.723 -7.876 -8.027 -8.176 -8.321 -8.461 99999.999 99999.999 -1.949 -1.903 -1.977 -2.119 -2.303 -2.517 -2.753 -3.006 -3.275 -3.558 -3.852 -4.156 -4.469 -4.788 -5.115 -5.786 -5.923 -6.062 -6.202 -6.343 -6.486 -6.630 -6.775 -6.921 -7.068 -7.216 -7.364 -7.513 -7.662 -7.811 -7.958 -8.102 -8.244 -8.382 -8.514 -8.639 -1.950 -1.905 -1.979 -2.119 -2.303 -2.515 -2.750 -3.003 -3.270 -3.550 -3.842 -4.143 -4.453 -4.770 -5.092 -5.756 -5.892 -6.029 -6.167 -6.306 -6.447 -6.589 -6.732 -6.876 -7.021 -7.166 -7.312 -7.459 -7.605 -7.751 -7.895 -8.037 -8.177 -8.312 -8.443 -8.568 -1.981 -1.933 -2.002 -2.136 -2.311 -2.513 -2.737 -2.976 -3.227 -3.489 -3.760 -4.039 -4.325 -4.615 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Radius(Å) = 2.75 Alk. = 1.000 Ref: Shock07 3 -1.000 1 1.000 2 1.000 65 8.809 7.614 6.601 5.734 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.809 7.614 6.601 5.734 4.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.809 7.615 6.601 5.734 4.984 4.327 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.821 7.627 6.613 5.745 4.994 4.337 3.756 3.234 2.762 2.330 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.828 7.634 6.620 5.752 5.001 4.344 3.762 3.241 2.769 2.336 1.933 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.837 7.643 6.629 5.761 5.010 4.352 3.770 3.249 2.777 2.345 1.943 1.562 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.850 7.656 6.642 5.773 5.022 4.364 3.782 3.260 2.789 2.357 1.956 1.576 1.217 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.867 7.673 6.658 5.789 5.037 4.379 3.796 3.275 2.804 2.373 1.972 1.595 1.236 0.914 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.888 7.695 6.679 5.809 5.056 4.398 3.815 3.294 2.823 2.392 1.993 1.618 1.263 0.931 0.706 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.904 7.712 6.695 5.825 5.072 4.413 3.830 3.308 2.837 2.407 2.010 1.637 1.283 0.950 0.653 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.928 7.735 6.718 5.847 5.093 4.433 3.850 3.329 2.858 2.429 2.032 1.662 1.313 0.981 0.653 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.951 7.759 6.741 5.869 5.114 4.454 3.870 3.349 2.878 2.449 2.054 1.687 1.342 1.015 0.682 2.921 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.973 7.782 6.763 5.890 5.135 4.474 3.890 3.369 2.898 2.470 2.076 1.711 1.370 1.048 0.721 1.364 2.030 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.995 7.804 6.785 5.912 5.155 4.494 3.910 3.388 2.918 2.490 2.097 1.735 1.397 1.081 0.764 0.996 1.228 1.649 2.279 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.017 7.827 6.807 5.933 5.176 4.514 3.929 3.407 2.937 2.510 2.118 1.757 1.423 1.112 0.806 0.834 0.930 1.112 1.408 1.822 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.039 7.849 6.829 5.953 5.196 4.533 3.948 3.426 2.956 2.529 2.138 1.779 1.448 1.142 0.847 0.746 0.781 0.863 1.008 1.228 1.521 1.859 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.060 7.871 6.850 5.974 5.216 4.552 3.967 3.445 2.975 2.548 2.158 1.800 1.472 1.170 0.885 0.694 0.694 0.725 0.795 0.912 1.081 1.300 1.551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.081 7.892 6.871 5.994 5.235 4.571 3.986 3.463 2.993 2.567 2.177 1.821 1.495 1.197 0.919 0.663 0.642 0.642 0.669 0.727 0.822 0.955 1.123 1.316 1.520 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.102 7.914 6.892 6.014 5.254 4.590 4.004 3.481 3.011 2.585 2.196 1.841 1.516 1.221 0.950 0.644 0.608 0.589 0.589 0.611 0.660 0.737 0.843 0.974 1.126 1.290 1.457 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.123 7.935 6.913 6.034 5.274 4.609 4.022 3.499 3.029 2.603 2.215 1.860 1.537 1.244 0.977 0.633 0.587 0.554 0.536 0.535 0.553 0.593 0.656 0.741 0.846 0.968 1.101 1.240 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.143 7.956 6.933 6.054 5.292 4.627 4.040 3.517 3.047 2.621 2.233 1.879 1.557 1.264 1.001 0.629 0.575 0.532 0.501 0.484 0.481 0.495 0.527 0.578 0.647 0.732 0.831 0.941 1.058 1.179 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.163 7.976 6.953 6.073 5.311 4.645 4.058 3.534 3.064 2.638 2.251 1.897 1.575 1.284 1.023 0.628 0.569 0.519 0.478 0.448 0.431 0.427 0.437 0.462 0.503 0.559 0.629 0.710 0.802 0.901 1.006 99999.999 99999.999 99999.999 99999.999 99999.999 9.183 7.997 6.973 6.092 5.330 4.663 4.075 3.552 3.081 2.656 2.268 1.915 1.593 1.302 1.041 0.631 0.567 0.511 0.463 0.425 0.396 0.378 0.372 0.379 0.399 0.431 0.477 0.534 0.602 0.679 0.764 0.855 0.952 99999.999 99999.999 99999.999 9.203 8.017 6.993 6.111 5.348 4.681 4.092 3.569 3.098 2.673 2.285 1.932 1.611 1.319 1.058 0.636 0.568 0.508 0.455 0.409 0.372 0.344 0.326 0.318 0.322 0.336 0.362 0.399 0.446 0.503 0.568 0.641 0.720 0.807 99999.999 99999.999 9.222 8.037 7.012 6.130 5.366 4.698 4.109 3.585 3.115 2.689 2.302 1.949 1.628 1.336 1.074 0.642 0.572 0.508 0.450 0.399 0.356 0.320 0.292 0.274 0.265 0.265 0.275 0.295 0.325 0.364 0.411 0.467 0.529 0.599 0.675 0.758 9.241 8.057 7.032 6.149 5.384 4.716 4.126 3.602 3.132 2.706 2.319 1.966 1.644 1.352 1.089 0.651 0.578 0.511 0.450 0.394 0.345 0.303 0.268 0.241 0.222 0.211 0.209 0.216 0.231 0.255 0.286 0.326 0.373 0.427 0.488 0.555 9.423 8.245 7.216 6.326 5.555 4.881 4.287 3.759 3.287 2.861 2.475 2.122 1.800 1.505 1.236 0.767 0.684 0.604 0.527 0.454 0.383 0.316 0.252 0.191 0.133 0.078 0.027 -0.022 -0.067 -0.109 -0.147 -0.183 -0.215 -0.244 -0.269 -0.291 9.588 8.418 7.385 6.490 5.712 5.032 4.434 3.903 3.428 3.001 2.614 2.262 1.940 1.645 1.375 0.898 0.812 0.729 0.648 0.570 0.495 0.422 0.352 0.283 0.217 0.153 0.091 0.031 -0.027 -0.083 -0.137 -0.189 -0.240 -0.289 -0.336 -0.382 9.740 8.579 7.544 6.643 5.859 5.174 4.570 4.036 3.558 3.130 2.742 2.390 2.068 1.774 1.503 1.024 0.937 0.853 0.771 0.692 0.615 0.541 0.468 0.398 0.329 0.263 0.198 0.134 0.073 0.013 -0.046 -0.103 -0.159 -0.213 -0.267 -0.319 9.883 8.731 7.694 6.788 5.998 5.307 4.699 4.160 3.680 3.249 2.860 2.508 2.186 1.891 1.621 1.142 1.055 0.970 0.889 0.809 0.732 0.657 0.584 0.513 0.443 0.376 0.310 0.246 0.183 0.122 0.062 0.004 -0.054 -0.110 -0.165 -0.219 10.018 8.875 7.836 6.925 6.130 5.434 4.821 4.278 3.795 3.362 2.971 2.618 2.295 2.001 1.731 1.252 1.165 1.081 0.999 0.919 0.842 0.767 0.693 0.622 0.553 0.485 0.420 0.355 0.292 0.231 0.171 0.112 0.054 -0.002 -0.058 -0.112 10.145 9.014 7.973 7.057 6.257 5.556 4.938 4.391 3.904 3.469 3.076 2.721 2.398 2.103 1.833 1.355 1.268 1.184 1.102 1.022 0.945 0.870 0.797 0.726 0.657 0.589 0.523 0.459 0.396 0.335 0.275 0.216 0.159 0.103 0.047 -0.007 10.268 9.147 8.104 7.184 6.379 5.673 5.051 4.500 4.009 3.571 3.176 2.819 2.496 2.200 1.930 1.451 1.365 1.280 1.199 1.119 1.042 0.967 0.894 0.823 0.754 0.687 0.621 0.557 0.495 0.434 0.374 0.315 0.258 0.202 0.147 0.093 99999.999 9.275 8.231 7.307 6.497 5.786 5.159 4.604 4.111 3.669 3.272 2.914 2.588 2.292 2.021 1.543 1.456 1.371 1.290 1.210 1.133 1.059 0.986 0.915 0.846 0.779 0.713 0.649 0.587 0.526 0.467 0.408 0.351 0.296 0.241 0.187 LuO+ LuO+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 2.000 Ref: Shock07 3 -2.000 1 1.000 2 1.000 65 17.543 15.311 13.479 11.950 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.543 15.311 13.479 11.950 10.657 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.543 15.312 13.480 11.951 10.657 9.547 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.545 15.313 13.481 11.952 10.658 9.549 8.584 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.547 15.315 13.483 11.955 10.661 9.551 8.586 7.738 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.551 15.319 13.487 11.958 10.664 9.554 8.590 7.741 6.986 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.556 15.324 13.492 11.963 10.669 9.559 8.595 7.747 6.992 6.310 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.564 15.332 13.500 11.971 10.676 9.566 8.602 7.754 6.999 6.318 5.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.574 15.343 13.510 11.981 10.686 9.576 8.612 7.764 7.010 6.330 5.704 5.117 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.588 15.357 13.524 11.994 10.699 9.589 8.625 7.778 7.025 6.345 5.722 5.138 4.586 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.606 15.375 13.542 12.012 10.717 9.606 8.643 7.796 7.043 6.366 5.745 5.165 4.616 4.118 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.630 15.399 13.565 12.034 10.739 9.628 8.665 7.819 7.067 6.391 5.773 5.199 4.656 4.148 3.785 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.648 15.417 13.582 12.051 10.756 9.645 8.682 7.836 7.085 6.410 5.795 5.225 4.687 4.179 3.713 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.673 15.442 13.608 12.076 10.779 9.669 8.705 7.860 7.111 6.438 5.826 5.261 4.732 4.229 3.722 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.698 15.468 13.632 12.100 10.803 9.692 8.729 7.884 7.136 6.465 5.856 5.296 4.775 4.282 3.774 7.093 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.722 15.493 13.657 12.124 10.826 9.715 8.752 7.908 7.160 6.491 5.885 5.330 4.816 4.334 3.839 4.825 5.799 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.747 15.517 13.681 12.147 10.849 9.738 8.775 7.931 7.185 6.516 5.913 5.362 4.856 4.384 3.909 4.287 4.630 5.247 6.151 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.771 15.542 13.705 12.170 10.872 9.760 8.798 7.954 7.208 6.541 5.940 5.394 4.894 4.432 3.977 4.053 4.197 4.467 4.901 5.497 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.794 15.566 13.728 12.193 10.894 9.783 8.820 7.977 7.232 6.566 5.967 5.424 4.930 4.477 4.041 3.927 3.982 4.106 4.323 4.646 5.069 5.548 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.817 15.589 13.751 12.216 10.917 9.804 8.842 7.999 7.254 6.590 5.993 5.453 4.964 4.520 4.100 3.853 3.858 3.909 4.016 4.191 4.440 4.756 5.115 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.840 15.613 13.774 12.238 10.938 9.826 8.863 8.021 7.277 6.614 6.018 5.481 4.996 4.559 4.154 3.809 3.784 3.790 3.835 3.926 4.069 4.265 4.510 4.787 5.076 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.863 15.636 13.797 12.260 10.960 9.847 8.884 8.042 7.299 6.637 6.043 5.508 5.027 4.595 4.201 3.783 3.737 3.715 3.721 3.761 3.837 3.954 4.112 4.306 4.527 4.760 4.995 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.886 15.659 13.820 12.282 10.981 9.868 8.905 8.064 7.321 6.660 6.067 5.534 5.056 4.628 4.243 3.770 3.709 3.668 3.648 3.653 3.686 3.750 3.847 3.976 4.132 4.311 4.503 4.702 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.908 15.682 13.842 12.304 11.002 9.889 8.926 8.085 7.342 6.682 6.090 5.559 5.083 4.658 4.280 3.764 3.693 3.638 3.599 3.581 3.584 3.612 3.666 3.746 3.852 3.980 4.128 4.289 4.459 4.634 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.930 15.704 13.864 12.325 11.023 9.909 8.946 8.105 7.363 6.704 6.113 5.584 5.109 4.686 4.312 3.765 3.686 3.620 3.568 3.533 3.515 3.517 3.539 3.584 3.650 3.738 3.845 3.968 4.105 4.252 4.407 99999.999 99999.999 99999.999 99999.999 99999.999 17.951 15.726 13.886 12.346 11.044 9.930 8.967 8.126 7.384 6.725 6.136 5.607 5.133 4.712 4.339 3.770 3.685 3.611 3.549 3.501 3.467 3.450 3.450 3.467 3.504 3.559 3.632 3.722 3.827 3.944 4.073 4.210 4.356 99999.999 99999.999 99999.999 17.973 15.748 13.907 12.367 11.064 9.950 8.987 8.146 7.405 6.747 6.158 5.630 5.157 4.736 4.364 3.779 3.688 3.608 3.538 3.481 3.435 3.403 3.386 3.384 3.397 3.427 3.473 3.535 3.611 3.701 3.802 3.915 4.037 4.169 99999.999 99999.999 17.994 15.770 13.928 12.388 11.084 9.970 9.006 8.166 7.425 6.767 6.180 5.652 5.180 4.759 4.386 3.790 3.695 3.610 3.534 3.469 3.414 3.371 3.341 3.323 3.319 3.329 3.353 3.391 3.443 3.508 3.586 3.674 3.774 3.883 4.002 4.130 18.014 15.791 13.949 12.408 11.104 9.989 9.026 8.185 7.445 6.788 6.201 5.674 5.202 4.781 4.407 3.802 3.705 3.616 3.535 3.464 3.402 3.350 3.309 3.279 3.261 3.255 3.262 3.281 3.313 3.357 3.413 3.480 3.558 3.646 3.744 3.852 18.211 15.995 14.150 12.603 11.294 10.175 9.210 8.369 7.632 6.979 6.398 5.877 5.410 4.990 4.614 3.976 3.865 3.760 3.659 3.564 3.474 3.388 3.307 3.232 3.160 3.094 3.032 2.975 2.923 2.876 2.834 2.796 2.764 2.736 2.714 2.696 18.389 16.182 14.334 12.782 11.468 10.345 9.377 8.536 7.799 7.149 6.572 6.056 5.594 5.178 4.804 4.164 4.051 3.943 3.839 3.739 3.644 3.552 3.464 3.379 3.298 3.221 3.146 3.075 3.006 2.941 2.878 2.818 2.760 2.705 2.653 2.603 18.553 16.356 14.506 12.950 11.630 10.503 9.532 8.689 7.952 7.304 6.729 6.217 5.759 5.347 4.977 4.341 4.228 4.120 4.016 3.916 3.820 3.728 3.638 3.552 3.470 3.390 3.312 3.238 3.166 3.096 3.028 2.963 2.900 2.838 2.778 2.720 18.706 16.519 14.668 13.107 11.783 10.652 9.677 8.832 8.094 7.446 6.873 6.363 5.908 5.500 5.133 4.504 4.392 4.285 4.182 4.083 3.988 3.896 3.807 3.721 3.639 3.559 3.482 3.407 3.335 3.265 3.197 3.131 3.067 3.004 2.943 2.884 18.850 16.674 14.821 13.256 11.928 10.792 9.814 8.967 8.227 7.579 7.006 6.498 6.046 5.641 5.277 4.654 4.543 4.437 4.335 4.237 4.143 4.052 3.964 3.880 3.798 3.719 3.643 3.569 3.498 3.429 3.362 3.296 3.233 3.171 3.111 3.052 18.986 16.821 14.968 13.399 12.066 10.926 9.945 9.094 8.353 7.703 7.131 6.624 6.173 5.770 5.409 4.792 4.682 4.578 4.477 4.380 4.287 4.197 4.110 4.027 3.946 3.869 3.793 3.721 3.651 3.582 3.516 3.452 3.390 3.329 3.270 3.213 19.116 16.963 15.109 13.536 12.199 11.055 10.070 9.217 8.473 7.822 7.249 6.742 6.293 5.891 5.532 4.919 4.811 4.708 4.608 4.512 4.420 4.331 4.245 4.163 4.084 4.007 3.933 3.861 3.792 3.725 3.660 3.598 3.536 3.477 3.419 3.363 99999.999 17.101 15.245 13.668 12.327 11.179 10.191 9.334 8.588 7.935 7.361 6.855 6.405 6.005 5.647 5.039 4.931 4.828 4.730 4.635 4.543 4.455 4.371 4.289 4.211 4.135 4.062 3.992 3.924 3.858 3.794 3.732 3.672 3.614 3.557 3.502 LuO2H,aq LuO2H(AQ) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 3.000 Ref: Shock07 3 -3.000 1 2.000 2 1.000 65 27.281 23.878 21.129 18.869 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.281 23.878 21.129 18.869 16.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.281 23.879 21.130 18.870 16.984 15.391 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.283 23.880 21.131 18.871 16.985 15.392 14.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.285 23.882 21.133 18.873 16.987 15.394 14.031 12.852 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.288 23.885 21.136 18.876 16.991 15.397 14.035 12.856 11.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.292 23.890 21.141 18.881 16.995 15.402 14.040 12.861 11.828 10.911 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.299 23.897 21.148 18.888 17.002 15.409 14.047 12.869 11.837 10.920 10.090 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.308 23.906 21.158 18.897 17.012 15.419 14.057 12.879 11.848 10.933 10.105 9.338 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.320 23.919 21.170 18.910 17.024 15.432 14.070 12.893 11.863 10.950 10.125 9.362 8.647 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.335 23.935 21.187 18.926 17.040 15.448 14.087 12.911 11.882 10.971 10.150 9.393 8.684 8.040 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.355 23.956 21.207 18.946 17.061 15.469 14.109 12.933 11.907 10.999 10.182 9.433 8.733 8.079 7.596 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.370 23.972 21.223 18.962 17.077 15.485 14.125 12.951 11.925 11.019 10.206 9.463 8.771 8.119 7.512 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.391 23.995 21.246 18.985 17.099 15.507 14.148 12.975 11.952 11.048 10.240 9.504 8.824 8.183 7.530 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.411 24.017 21.268 19.007 17.121 15.529 14.171 12.999 11.977 11.076 10.272 9.545 8.876 8.249 7.600 11.758 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.432 24.038 21.290 19.028 17.142 15.551 14.193 13.022 12.002 11.104 10.304 9.583 8.925 8.314 7.687 8.965 10.171 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.451 24.059 21.311 19.049 17.163 15.572 14.215 13.045 12.026 11.130 10.334 9.620 8.972 8.376 7.776 8.298 8.730 9.496 10.601 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.471 24.080 21.332 19.070 17.184 15.593 14.236 13.067 12.050 11.156 10.364 9.655 9.017 8.435 7.864 8.006 8.194 8.535 9.076 9.808 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.490 24.101 21.352 19.090 17.204 15.613 14.257 13.089 12.073 11.181 10.392 9.689 9.059 8.490 7.945 7.849 7.926 8.089 8.364 8.770 9.293 9.876 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.508 24.121 21.373 19.110 17.224 15.633 14.278 13.110 12.096 11.206 10.420 9.721 9.098 8.540 8.020 7.757 7.772 7.844 7.985 8.210 8.525 8.920 9.360 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.526 24.141 21.393 19.130 17.244 15.653 14.298 13.131 12.118 11.230 10.446 9.751 9.135 8.587 8.086 7.701 7.678 7.696 7.761 7.883 8.069 8.321 8.629 8.973 9.327 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.544 24.160 21.412 19.149 17.263 15.672 14.318 13.152 12.140 11.253 10.472 9.781 9.169 8.629 8.145 7.667 7.619 7.602 7.620 7.679 7.784 7.940 8.144 8.391 8.668 8.959 9.248 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.562 24.179 21.431 19.169 17.282 15.691 14.337 13.172 12.161 11.276 10.497 9.808 9.201 8.667 8.196 7.648 7.583 7.542 7.528 7.545 7.598 7.689 7.819 7.988 8.191 8.419 8.663 8.912 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.579 24.198 21.450 19.187 17.301 15.710 14.356 13.192 12.182 11.298 10.521 9.835 9.231 8.701 8.239 7.639 7.561 7.503 7.467 7.455 7.472 7.518 7.596 7.707 7.849 8.018 8.210 8.418 8.635 8.858 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.596 24.216 21.469 19.206 17.319 15.729 14.375 13.211 12.202 11.320 10.544 9.861 9.259 8.733 8.276 7.638 7.550 7.479 7.427 7.395 7.385 7.400 7.440 7.508 7.603 7.723 7.867 8.031 8.211 8.403 8.604 99999.999 99999.999 99999.999 99999.999 99999.999 27.612 24.234 21.487 19.224 17.337 15.747 14.393 13.230 12.222 11.341 10.567 9.885 9.285 8.761 8.308 7.642 7.546 7.466 7.401 7.354 7.325 7.316 7.329 7.365 7.424 7.505 7.609 7.733 7.876 8.033 8.204 8.386 8.578 99999.999 99999.999 99999.999 27.628 24.252 21.505 19.242 17.355 15.765 14.411 13.249 12.242 11.362 10.590 9.909 9.311 8.787 8.335 7.650 7.548 7.460 7.386 7.327 7.284 7.258 7.250 7.261 7.292 7.343 7.414 7.505 7.613 7.738 7.878 8.031 8.197 8.374 99999.999 99999.999 27.644 24.270 21.523 19.260 17.372 15.782 14.429 13.267 12.261 11.383 10.611 9.932 9.335 8.812 8.359 7.660 7.554 7.460 7.379 7.311 7.256 7.217 7.193 7.185 7.195 7.222 7.267 7.329 7.409 7.505 7.616 7.741 7.880 8.031 8.194 8.370 27.660 24.287 21.541 19.277 17.390 15.799 14.447 13.286 12.280 11.403 10.633 9.954 9.358 8.835 8.382 7.674 7.564 7.465 7.378 7.302 7.239 7.189 7.153 7.131 7.123 7.131 7.155 7.195 7.250 7.321 7.406 7.506 7.619 7.745 7.883 8.034 27.801 24.447 21.703 19.439 17.550 15.959 14.608 13.451 12.453 11.584 10.825 10.158 9.570 9.053 8.599 7.857 7.733 7.615 7.505 7.402 7.305 7.215 7.132 7.055 6.984 6.920 6.861 6.809 6.764 6.724 6.691 6.665 6.644 6.631 6.623 6.622 27.921 24.586 21.846 19.581 17.691 16.100 14.750 13.595 12.601 11.739 10.988 10.330 9.751 9.242 8.794 8.055 7.929 7.809 7.696 7.588 7.487 7.390 7.299 7.213 7.131 7.054 6.981 6.912 6.848 6.787 6.730 6.677 6.627 6.580 6.537 6.497 28.023 24.709 21.974 19.709 17.818 16.226 14.876 13.722 12.731 11.874 11.129 10.478 9.908 9.406 8.966 8.237 8.112 7.994 7.881 7.774 7.673 7.576 7.484 7.397 7.314 7.235 7.160 7.089 7.021 6.956 6.894 6.835 6.779 6.725 6.674 6.625 28.111 24.820 22.090 19.826 17.933 16.340 14.990 13.837 12.848 11.994 11.254 10.609 10.045 9.550 9.116 8.400 8.277 8.161 8.050 7.945 7.845 7.751 7.660 7.575 7.493 7.415 7.341 7.270 7.203 7.139 7.077 7.018 6.962 6.908 6.856 6.806 28.189 24.921 22.196 19.932 18.040 16.445 15.094 13.942 12.954 12.102 11.365 10.725 10.167 9.678 9.250 8.545 8.425 8.311 8.203 8.100 8.002 7.909 7.821 7.737 7.658 7.582 7.509 7.441 7.375 7.312 7.253 7.196 7.141 7.088 7.038 6.990 28.259 25.014 22.295 20.032 18.138 16.543 15.191 14.038 13.051 12.201 11.467 10.830 10.276 9.793 9.370 8.676 8.558 8.446 8.340 8.239 8.143 8.053 7.967 7.885 7.807 7.733 7.663 7.597 7.533 7.472 7.415 7.360 7.307 7.257 7.209 7.163 28.321 25.100 22.387 20.124 18.230 16.634 15.281 14.128 13.141 12.292 11.560 10.926 10.375 9.896 9.478 8.794 8.678 8.568 8.464 8.365 8.271 8.182 8.098 8.018 7.943 7.871 7.803 7.738 7.676 7.618 7.562 7.509 7.459 7.411 7.365 7.321 99999.999 25.182 22.473 20.211 18.317 16.720 15.366 14.213 13.226 12.377 11.646 11.014 10.466 9.990 9.576 8.901 8.786 8.678 8.576 8.479 8.387 8.300 8.217 8.139 8.065 7.995 7.929 7.866 7.807 7.750 7.696 7.645 7.596 7.550 7.506 7.464 LuO2- LuO2- P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 4.000 Ref: Shock07 3 -4.000 1 2.000 2 1.000 65 35.837 31.941 28.748 26.090 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.837 31.941 28.748 26.090 23.849 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.838 31.942 28.748 26.090 23.850 21.940 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.839 31.943 28.749 26.091 23.851 21.941 20.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.840 31.945 28.751 26.093 23.852 21.943 20.301 18.877 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.843 31.947 28.754 26.096 23.855 21.946 20.304 18.880 17.637 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.847 31.952 28.758 26.100 23.859 21.949 20.307 18.884 17.641 16.551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.853 31.958 28.764 26.106 23.864 21.955 20.313 18.889 17.646 16.556 15.594 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.861 31.966 28.772 26.114 23.872 21.963 20.320 18.896 17.653 16.563 15.601 14.752 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.871 31.977 28.783 26.124 23.883 21.973 20.330 18.906 17.663 16.572 15.610 14.761 14.031 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.884 31.992 28.798 26.138 23.896 21.985 20.343 18.918 17.675 16.584 15.622 14.772 14.036 13.480 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.901 32.010 28.816 26.156 23.913 22.002 20.359 18.934 17.691 16.600 15.638 14.788 14.047 13.447 13.265 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.914 32.024 28.830 26.169 23.926 22.015 20.371 18.946 17.703 16.612 15.650 14.800 14.057 13.439 13.052 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.933 32.044 28.849 26.188 23.944 22.032 20.388 18.963 17.720 16.629 15.667 14.819 14.075 13.442 12.939 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.950 32.063 28.869 26.207 23.962 22.050 20.405 18.980 17.737 16.645 15.684 14.837 14.093 13.454 12.908 18.406 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.968 32.082 28.888 26.225 23.980 22.067 20.422 18.997 17.753 16.662 15.701 14.855 14.113 13.472 12.910 14.628 16.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.985 32.101 28.906 26.243 23.997 22.084 20.439 19.013 17.769 16.678 15.717 14.872 14.132 13.492 12.927 13.680 14.324 15.437 17.102 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.002 32.119 28.924 26.261 24.015 22.100 20.455 19.029 17.784 16.693 15.733 14.889 14.150 13.512 12.952 13.227 13.540 14.068 14.886 16.017 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.018 32.137 28.942 26.278 24.031 22.117 20.471 19.044 17.800 16.709 15.749 14.905 14.168 13.532 12.978 12.956 13.116 13.399 13.841 14.478 15.312 16.289 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.034 32.155 28.960 26.295 24.048 22.133 20.486 19.060 17.815 16.724 15.764 14.921 14.185 13.551 13.003 12.774 12.849 13.003 13.257 13.633 14.148 14.796 15.547 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.050 32.172 28.977 26.312 24.064 22.148 20.502 19.075 17.830 16.738 15.779 14.936 14.201 13.568 13.025 12.645 12.664 12.741 12.887 13.116 13.440 13.865 14.388 14.987 15.630 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.066 32.189 28.994 26.329 24.080 22.164 20.517 19.089 17.844 16.753 15.793 14.951 14.216 13.583 13.045 12.549 12.530 12.556 12.633 12.770 12.976 13.257 13.616 14.048 14.539 15.069 15.617 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.081 32.206 29.011 26.345 24.096 22.179 20.531 19.104 17.859 16.767 15.807 14.965 14.230 13.597 13.061 12.475 12.429 12.419 12.449 12.525 12.653 12.838 13.084 13.392 13.755 14.166 14.612 15.077 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.096 32.223 29.028 26.361 24.111 22.194 20.546 19.118 17.873 16.781 15.821 14.978 14.242 13.609 13.073 12.417 12.351 12.315 12.311 12.343 12.417 12.536 12.702 12.919 13.185 13.497 13.847 14.227 14.627 15.039 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.110 32.239 29.044 26.377 24.126 22.209 20.560 19.132 17.886 16.794 15.834 14.991 14.254 13.619 13.082 12.372 12.290 12.233 12.204 12.204 12.239 12.309 12.419 12.569 12.761 12.994 13.264 13.566 13.894 14.243 14.605 99999.999 99999.999 99999.999 99999.999 99999.999 36.125 32.255 29.060 26.393 24.141 22.223 20.574 19.146 17.900 16.808 15.847 15.004 14.266 13.628 13.088 12.335 12.241 12.168 12.119 12.096 12.100 12.135 12.202 12.303 12.439 12.610 12.815 13.051 13.315 13.602 13.908 14.228 14.560 99999.999 99999.999 99999.999 36.139 32.271 29.076 26.408 24.156 22.237 20.588 19.159 17.913 16.821 15.860 15.016 14.276 13.636 13.092 12.306 12.201 12.116 12.051 12.009 11.990 11.997 12.032 12.095 12.188 12.311 12.464 12.646 12.855 13.087 13.341 13.611 13.896 14.193 99999.999 99999.999 36.153 32.286 29.091 26.423 24.171 22.251 20.602 19.173 17.927 16.834 15.873 15.027 14.287 13.643 13.094 12.283 12.169 12.073 11.996 11.938 11.902 11.887 11.896 11.930 11.989 12.075 12.186 12.324 12.486 12.672 12.878 13.103 13.344 13.599 13.866 14.143 36.166 32.301 29.106 26.438 24.185 22.265 20.615 19.186 17.939 16.847 15.885 15.039 14.297 13.651 13.097 12.264 12.143 12.038 11.951 11.881 11.830 11.798 11.787 11.797 11.829 11.885 11.963 12.064 12.188 12.334 12.500 12.684 12.885 13.101 13.330 13.570 36.290 32.442 29.248 26.576 24.318 22.394 20.740 19.307 18.059 16.964 16.000 15.149 14.398 13.735 13.153 12.208 12.051 11.905 11.769 11.643 11.527 11.420 11.324 11.236 11.158 11.090 11.031 10.981 10.941 10.910 10.888 10.875 10.870 10.875 10.888 10.909 36.394 32.565 29.373 26.698 24.436 22.507 20.849 19.414 18.163 17.067 16.102 15.249 14.493 13.823 13.230 12.245 12.076 11.917 11.766 11.623 11.487 11.360 11.240 11.127 11.021 10.921 10.828 10.742 10.661 10.586 10.517 10.453 10.395 10.342 10.294 10.250 36.485 32.675 29.486 26.808 24.543 22.610 20.948 19.509 18.256 17.158 16.192 15.338 14.581 13.908 13.309 12.306 12.132 11.966 11.809 11.659 11.516 11.380 11.250 11.127 11.010 10.899 10.793 10.693 10.597 10.507 10.421 10.340 10.262 10.189 10.120 10.054 36.564 32.774 29.588 26.909 24.640 22.703 21.038 19.596 18.340 17.241 16.273 15.418 14.660 13.986 13.385 12.372 12.196 12.028 11.867 11.713 11.567 11.426 11.293 11.165 11.043 10.926 10.814 10.708 10.606 10.509 10.415 10.326 10.241 10.160 10.082 10.007 36.634 32.865 29.682 27.002 24.730 22.790 21.121 19.676 18.418 17.316 16.347 15.492 14.733 14.057 13.456 12.438 12.260 12.091 11.928 11.773 11.624 11.482 11.346 11.215 11.091 10.971 10.857 10.747 10.642 10.541 10.445 10.352 10.263 10.178 10.096 10.017 36.697 32.948 29.770 27.089 24.814 22.870 21.198 19.750 18.490 17.386 16.416 15.559 14.799 14.123 13.521 12.501 12.323 12.152 11.989 11.832 11.683 11.539 11.402 11.270 11.144 11.023 10.907 10.796 10.689 10.587 10.489 10.394 10.303 10.216 10.132 10.051 36.754 33.026 29.852 27.170 24.893 22.946 21.271 19.820 18.557 17.452 16.479 15.621 14.861 14.185 13.582 12.561 12.382 12.211 12.047 11.890 11.740 11.596 11.458 11.325 11.198 11.077 10.960 10.848 10.740 10.637 10.537 10.442 10.350 10.262 10.177 10.095 99999.999 33.100 29.930 27.247 24.968 23.018 21.340 19.887 18.621 17.513 16.539 15.680 14.918 14.242 13.638 12.616 12.438 12.266 12.102 11.945 11.794 11.650 11.511 11.379 11.251 11.129 11.012 10.899 10.791 10.687 10.587 10.491 10.399 10.310 10.225 10.142 LuNO3+2 LuNO3+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 6 -1.000 1 -1.000 2 -1.000 6 1.000 65 1.000 32 1.000 4 92.661 84.877 78.137 72.263 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.661 84.877 78.137 72.263 67.097 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.662 84.877 78.138 72.264 67.098 62.512 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.664 84.879 78.139 72.265 67.099 62.514 58.407 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.667 84.882 78.142 72.268 67.102 62.516 58.410 54.700 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.672 84.887 78.146 72.272 67.106 62.520 58.414 54.705 51.327 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.680 84.894 78.153 72.278 67.112 62.526 58.420 54.711 51.334 48.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.691 84.903 78.162 72.287 67.120 62.535 58.429 54.720 51.344 48.242 45.361 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.707 84.917 78.174 72.299 67.132 62.546 58.441 54.733 51.358 48.257 45.380 42.673 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.727 84.935 78.191 72.315 67.148 62.562 58.457 54.750 51.376 48.278 45.405 42.705 40.123 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.754 84.958 78.213 72.335 67.168 62.582 58.477 54.772 51.400 48.305 45.436 42.746 40.180 37.659 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.787 84.988 78.240 72.362 67.193 62.608 58.504 54.799 51.430 48.338 45.476 42.796 40.250 37.769 35.169 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.813 85.011 78.261 72.382 67.213 62.628 58.524 54.821 51.452 48.364 45.506 42.834 40.301 37.846 35.323 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.850 85.044 78.291 72.411 67.241 62.656 58.552 54.851 51.484 48.399 45.547 42.885 40.370 37.947 35.502 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.886 85.076 78.321 72.439 67.269 62.683 58.580 54.880 51.516 48.434 45.588 42.935 40.435 38.039 35.654 30.778 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.922 85.107 78.350 72.467 67.296 62.710 58.608 54.908 51.546 48.468 45.626 42.982 40.495 38.124 35.788 31.582 30.451 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.957 85.138 78.379 72.494 67.323 62.737 58.635 54.937 51.576 48.501 45.664 43.027 40.552 38.202 35.907 31.829 30.919 29.905 28.678 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.991 85.169 78.407 72.521 67.349 62.763 58.662 54.964 51.606 48.533 45.700 43.070 40.606 38.274 36.015 31.991 31.147 30.269 29.324 28.262 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.025 85.199 78.435 72.548 67.375 62.789 58.688 54.991 51.634 48.564 45.735 43.111 40.657 38.341 36.112 32.118 31.307 30.483 29.634 28.739 27.773 26.713 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.058 85.228 78.463 72.574 67.400 62.814 58.713 55.018 51.663 48.594 45.770 43.151 40.706 38.403 36.200 32.225 31.435 30.641 29.838 29.015 28.160 27.260 26.302 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.091 85.257 78.490 72.600 67.425 62.839 58.739 55.044 51.690 48.624 45.803 43.189 40.751 38.460 36.279 32.319 31.543 30.769 29.993 29.210 28.412 27.593 26.743 25.857 24.934 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.123 85.286 78.516 72.625 67.450 62.863 58.764 55.070 51.717 48.654 45.835 43.226 40.795 38.514 36.352 32.404 31.639 30.879 30.121 29.363 28.599 27.826 27.037 26.229 25.398 24.544 23.673 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.155 85.314 78.543 72.650 67.475 62.888 58.788 55.095 51.744 48.682 45.866 43.261 40.836 38.564 36.417 32.481 31.725 30.976 30.232 29.491 28.750 28.006 27.255 26.495 25.722 24.936 24.137 23.328 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.187 85.342 78.569 72.675 67.499 62.912 58.812 55.120 51.770 48.710 45.897 43.296 40.876 38.611 36.476 32.553 31.803 31.063 30.330 29.602 28.877 28.154 27.429 26.700 25.966 25.225 24.476 23.722 22.963 22.205 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.217 85.370 78.594 72.699 67.523 62.935 58.836 55.145 51.796 48.738 45.927 43.329 40.913 38.655 36.530 32.620 31.876 31.143 30.418 29.701 28.989 28.280 27.574 26.867 26.160 25.450 24.737 24.022 23.305 22.589 21.875 99999.999 99999.999 99999.999 99999.999 99999.999 93.248 85.397 78.620 72.724 67.546 62.958 58.860 55.169 51.821 48.764 45.956 43.361 40.950 38.697 36.580 32.683 31.944 31.217 30.499 29.790 29.088 28.391 27.699 27.009 26.321 25.634 24.947 24.261 23.575 22.890 22.209 21.534 20.867 99999.999 99999.999 99999.999 93.278 85.424 78.645 72.747 67.569 62.981 58.883 55.192 51.846 48.791 45.985 43.392 40.984 38.736 36.626 32.742 32.008 31.286 30.575 29.872 29.178 28.491 27.810 27.133 26.460 25.790 25.123 24.458 23.795 23.135 22.480 21.830 21.187 20.553 99999.999 99999.999 93.308 85.451 78.669 72.771 67.592 63.004 58.906 55.216 51.870 48.817 46.012 43.423 41.018 38.774 36.669 32.798 32.069 31.351 30.645 29.949 29.261 28.582 27.910 27.243 26.582 25.926 25.274 24.625 23.980 23.340 22.704 22.074 21.452 20.837 20.233 19.640 93.337 85.477 78.694 72.794 67.615 63.026 58.928 55.239 51.894 48.842 46.040 43.452 41.051 38.810 36.710 32.852 32.126 31.413 30.711 30.020 29.338 28.666 28.001 27.343 26.692 26.046 25.406 24.771 24.140 23.515 22.895 22.282 21.675 21.077 20.487 19.908 93.608 85.721 78.922 73.012 67.826 63.235 59.138 55.453 52.116 49.075 46.288 43.719 41.340 39.128 37.060 33.292 32.589 31.901 31.227 30.566 29.918 29.282 28.657 28.043 27.440 26.846 26.262 25.686 25.120 24.562 24.012 23.470 22.936 22.410 21.892 21.381 93.847 85.939 79.126 73.207 68.016 63.422 59.324 55.642 52.310 49.277 46.500 43.945 41.582 39.387 37.341 33.626 32.935 32.260 31.600 30.954 30.322 29.703 29.096 28.501 27.917 27.344 26.781 26.229 25.686 25.152 24.627 24.111 23.603 23.103 22.611 22.126 94.061 86.135 79.311 73.384 68.187 63.591 59.492 55.811 52.483 49.456 46.687 44.141 41.789 39.608 37.577 33.898 33.215 32.549 31.898 31.262 30.640 30.031 29.435 28.851 28.279 27.718 27.168 26.628 26.099 25.579 25.068 24.566 24.072 23.587 23.110 22.641 94.254 86.314 79.480 73.546 68.344 63.745 59.646 55.966 52.640 49.616 46.853 44.314 41.972 39.801 37.781 34.129 33.452 32.792 32.148 31.518 30.903 30.301 29.713 29.137 28.573 28.020 27.479 26.948 26.427 25.916 25.415 24.922 24.439 23.963 23.496 23.037 94.431 86.478 79.635 73.695 68.489 63.888 59.787 56.107 52.783 49.763 47.004 44.471 42.135 39.972 37.961 34.330 33.658 33.003 32.363 31.739 31.129 30.533 29.950 29.379 28.821 28.274 27.739 27.214 26.700 26.196 25.701 25.216 24.739 24.271 23.811 23.360 94.593 86.630 79.779 73.833 68.624 64.020 59.918 56.238 52.915 49.897 47.141 44.613 42.283 40.126 38.123 34.508 33.840 33.188 32.553 31.932 31.326 30.734 30.156 29.590 29.036 28.494 27.963 27.444 26.934 26.435 25.946 25.465 24.994 24.531 24.077 23.631 94.743 86.771 79.913 73.962 68.749 64.143 60.040 56.360 53.038 50.021 47.268 44.743 42.418 40.266 38.269 34.668 34.003 33.354 32.722 32.105 31.502 30.913 30.338 29.775 29.225 28.687 28.160 27.644 27.139 26.644 26.158 25.682 25.215 24.756 24.306 23.864 99999.999 86.904 80.038 74.083 68.867 64.259 60.155 56.474 53.153 50.137 47.386 44.864 42.542 40.395 38.402 34.812 34.150 33.504 32.874 32.260 31.660 31.074 30.501 29.942 29.394 28.859 28.335 27.822 27.320 26.828 26.346 25.873 25.409 24.953 24.506 24.068 LuH2PO4+2 LuH2PO4+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Shock07 3 1.000 1 1.000 27 1.000 65 -10.116 -9.595 -9.361 -9.301 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.116 -9.595 -9.361 -9.301 -9.364 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.115 -9.594 -9.360 -9.300 -9.363 -9.520 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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Radius(Å) = 1.81 Alk. = 0.000 Ref: MigInt08 2 2.000 4 1.000 51 -4.8 -5.15 -5.65 -6.15 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.42 -13.52 -14.55 -15.65 -16.8 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.42 -13.52 -14.55 -15.65 -16.8 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.42 -13.52 -14.55 -15.65 -16.8 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.42 -13.52 -14.55 -15.65 -16.8 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.42 -13.52 -14.55 -15.65 -16.8 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.42 -13.52 -14.55 -15.65 -16.8 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.42 -13.52 -14.55 -15.65 -16.8 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.42 -13.52 -14.55 -15.65 -16.8 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.42 -13.52 -14.55 -15.65 -16.8 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.42 -13.52 -14.55 -15.65 -16.8 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.42 -13.52 -14.55 -15.65 -16.8 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 CeSO4+ CeSO4+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: MigInt08 2 1.000 4 1.000 52 -3.4 -3.59 -3.8 -4.05 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 Ce(SO4)2- Ce(SO4)2(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: MigInt08 2 2.000 4 1.000 52 -4.8 -5.15 -5.65 -6.15 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.54 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.54 -14.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.54 -14.6 -15.7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.54 -14.6 -15.7 -17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.54 -14.6 -15.7 -17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.54 -14.6 -15.7 -17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.54 -14.6 -15.7 -17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.54 -14.6 -15.7 -17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.54 -14.6 -15.7 -17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.54 -14.6 -15.7 -17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.54 -14.6 -15.7 -17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.54 -14.6 -15.7 -17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.54 -14.6 -15.7 -17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.54 -14.6 -15.7 -17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.54 -14.6 -15.7 -17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.54 -14.6 -15.7 -17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.54 -14.6 -15.7 -17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.54 -14.6 -15.7 -17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.54 -14.6 -15.7 -17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.54 -14.6 -15.7 -17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.54 -14.6 -15.7 -17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.54 -14.6 -15.7 -17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.54 -14.6 -15.7 -17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.54 -14.6 -15.7 -17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.54 -14.6 -15.7 -17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.54 -14.6 -15.7 -17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.54 -14.6 -15.7 -17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.54 -14.6 -15.7 -17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.54 -14.6 -15.7 -17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 PrSO4+ PrSO4+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: MigInt08 2 1.000 4 1.000 53 -3.4 -3.59 -3.8 -4.05 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 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Radius(Å) = 1.81 Alk. = 0.000 Ref: MigInt08 2 2.000 4 1.000 53 -4.8 -5.15 -5.65 -6.15 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-11.26 -12.4 -13.56 -14.7 -15.9 -17.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.56 -14.7 -15.9 -17.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.56 -14.7 -15.9 -17.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.56 -14.7 -15.9 -17.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.56 -14.7 -15.9 -17.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.56 -14.7 -15.9 -17.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.56 -14.7 -15.9 -17.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.56 -14.7 -15.9 -17.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.56 -14.7 -15.9 -17.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.56 -14.7 -15.9 -17.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.56 -14.7 -15.9 -17.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.56 -14.7 -15.9 -17.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 NdSO4+ NdSO4(+) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Migdisov08 2 1.000 4 1.000 54 -3.45 -3.65 -3.86 -4.08 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.45 -3.65 -3.86 -4.08 -4.32 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.45 -3.65 -3.86 -4.08 -4.32 -4.58 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 -3.45 -3.65 -3.86 -4.08 -4.32 -4.58 -4.86 -5.11 -5.41 -5.72 -6.06 -6.46 -6.91 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.45 -3.65 -3.86 -4.08 -4.32 -4.58 -4.86 -5.11 -5.41 -5.72 -6.06 -6.46 -6.91 -7.48 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.45 -3.65 -3.86 -4.08 -4.32 -4.58 -4.86 -5.11 -5.41 -5.72 -6.06 -6.46 -6.91 -7.48 -8.16 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.45 -3.65 -3.86 -4.08 -4.32 -4.58 -4.86 -5.11 -5.41 -5.72 -6.06 -6.46 -6.91 -7.48 -8.16 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.45 -3.65 -3.86 -4.08 -4.32 -4.58 -4.86 -5.11 -5.41 -5.72 -6.06 -6.46 -6.91 -7.48 -8.16 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.45 -3.65 -3.86 -4.08 -4.32 -4.58 -4.86 -5.11 -5.41 -5.72 -6.06 -6.46 -6.91 -7.48 -8.16 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.45 -3.65 -3.86 -4.08 -4.32 -4.58 -4.86 -5.11 -5.41 -5.72 -6.06 -6.46 -6.91 -7.48 -8.16 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 -3.45 -3.65 -3.86 -4.08 -4.32 -4.58 -4.86 -5.11 -5.41 -5.72 -6.06 -6.46 -6.91 -7.48 -8.16 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.45 -3.65 -3.86 -4.08 -4.32 -4.58 -4.86 -5.11 -5.41 -5.72 -6.06 -6.46 -6.91 -7.48 -8.16 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.45 -3.65 -3.86 -4.08 -4.32 -4.58 -4.86 -5.11 -5.41 -5.72 -6.06 -6.46 -6.91 -7.48 -8.16 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.45 -3.65 -3.86 -4.08 -4.32 -4.58 -4.86 -5.11 -5.41 -5.72 -6.06 -6.46 -6.91 -7.48 -8.16 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.45 -3.65 -3.86 -4.08 -4.32 -4.58 -4.86 -5.11 -5.41 -5.72 -6.06 -6.46 -6.91 -7.48 -8.16 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.45 -3.65 -3.86 -4.08 -4.32 -4.58 -4.86 -5.11 -5.41 -5.72 -6.06 -6.46 -6.91 -7.48 -8.16 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.45 -3.65 -3.86 -4.08 -4.32 -4.58 -4.86 -5.11 -5.41 -5.72 -6.06 -6.46 -6.91 -7.48 -8.16 99999.999 99999.999 99999.999 99999.999 99999.999 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-4.86 -5.11 -5.41 -5.72 -6.06 -6.46 -6.91 -7.48 -8.16 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.45 -3.65 -3.86 -4.08 -4.32 -4.58 -4.86 -5.11 -5.41 -5.72 -6.06 -6.46 -6.91 -7.48 -8.16 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.45 -3.65 -3.86 -4.08 -4.32 -4.58 -4.86 -5.11 -5.41 -5.72 -6.06 -6.46 -6.91 -7.48 -8.16 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.45 -3.65 -3.86 -4.08 -4.32 -4.58 -4.86 -5.11 -5.41 -5.72 -6.06 -6.46 -6.91 -7.48 -8.16 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.45 -3.65 -3.86 -4.08 -4.32 -4.58 -4.86 -5.11 -5.41 -5.72 -6.06 -6.46 -6.91 -7.48 -8.16 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 Nd(SO4)2- Nd(SO4)2(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Migdisov08 2 2.000 4 1.000 54 -4.80 -5.15 -5.65 -6.15 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.80 -5.15 -5.65 -6.15 -6.75 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.80 -5.15 -5.65 -6.15 -6.75 -7.42 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.80 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.10 -10.17 -11.26 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.80 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.10 -10.17 -11.26 -12.40 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.80 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.10 -10.17 -11.26 -12.40 -13.58 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.80 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.10 -10.17 -11.26 -12.40 -13.58 -14.80 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.80 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.10 -10.17 -11.26 -12.40 -13.58 -14.80 -16.10 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.80 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.10 -10.17 -11.26 -12.40 -13.58 -14.80 -16.10 -17.40 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.80 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.10 -10.17 -11.26 -12.40 -13.58 -14.80 -16.10 -17.40 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.80 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.10 -10.17 -11.26 -12.40 -13.58 -14.80 -16.10 -17.40 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.80 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.10 -10.17 -11.26 -12.40 -13.58 -14.80 -16.10 -17.40 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.80 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.10 -10.17 -11.26 -12.40 -13.58 -14.80 -16.10 -17.40 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.80 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.10 -10.17 -11.26 -12.40 -13.58 -14.80 -16.10 -17.40 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.80 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.10 -10.17 -11.26 -12.40 -13.58 -14.80 -16.10 -17.40 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.80 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.10 -10.17 -11.26 -12.40 -13.58 -14.80 -16.10 -17.40 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.80 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.10 -10.17 -11.26 -12.40 -13.58 -14.80 -16.10 -17.40 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.80 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.10 -10.17 -11.26 -12.40 -13.58 -14.80 -16.10 -17.40 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.80 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.10 -10.17 -11.26 -12.40 -13.58 -14.80 -16.10 -17.40 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.80 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.10 -10.17 -11.26 -12.40 -13.58 -14.80 -16.10 -17.40 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.80 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.10 -10.17 -11.26 -12.40 -13.58 -14.80 -16.10 -17.40 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.80 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.10 -10.17 -11.26 -12.40 -13.58 -14.80 -16.10 -17.40 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.80 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.10 -10.17 -11.26 -12.40 -13.58 -14.80 -16.10 -17.40 99999.999 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Radius(Å) = 2.31 Alk. = 0.000 Ref: Migdisov08 2 1.000 4 1.000 56 -3.30 -3.53 -3.78 -4.02 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.30 -3.53 -3.78 -4.02 -4.32 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.30 -3.53 -3.78 -4.02 -4.32 -4.55 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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Radius(Å) = 1.81 Alk. = 0.000 Ref: Migdisov08 2 2.000 4 1.000 56 -5.15 -5.44 -5.80 -6.25 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.15 -5.44 -5.80 -6.25 -6.76 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.15 -5.44 -5.80 -6.25 -6.76 -7.35 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-8.06 -9.05 -10.12 -11.20 -12.37 -13.60 -14.90 -16.30 -17.90 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.15 -5.44 -5.80 -6.25 -6.76 -7.35 -8.06 -9.05 -10.12 -11.20 -12.37 -13.60 -14.90 -16.30 -17.90 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.15 -5.44 -5.80 -6.25 -6.76 -7.35 -8.06 -9.05 -10.12 -11.20 -12.37 -13.60 -14.90 -16.30 -17.90 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.15 -5.44 -5.80 -6.25 -6.76 -7.35 -8.06 -9.05 -10.12 -11.20 -12.37 -13.60 -14.90 -16.30 -17.90 99999.999 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99999.999 99999.999 99999.999 99999.999 -5.15 -5.44 -5.80 -6.25 -6.76 -7.35 -8.06 -9.05 -10.12 -11.20 -12.37 -13.60 -14.90 -16.30 -17.90 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.15 -5.44 -5.80 -6.25 -6.76 -7.35 -8.06 -9.05 -10.12 -11.20 -12.37 -13.60 -14.90 -16.30 -17.90 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 EuSO4+ EuSO4+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: MigInt08 2 1.000 4 1.000 57 -3.4 -3.59 -3.8 -4.05 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 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-7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 Eu(SO4)2- Eu(SO4)2(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: MigInt08 2 2.000 4 1.000 57 -4.8 -5.15 -5.65 -6.15 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.6 -14.94 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.6 -14.94 -16.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.6 -14.94 -16.4 -18 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.6 -14.94 -16.4 -18 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.6 -14.94 -16.4 -18 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.6 -14.94 -16.4 -18 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.6 -14.94 -16.4 -18 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.6 -14.94 -16.4 -18 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.6 -14.94 -16.4 -18 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.6 -14.94 -16.4 -18 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.6 -14.94 -16.4 -18 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.6 -14.94 -16.4 -18 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.6 -14.94 -16.4 -18 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.6 -14.94 -16.4 -18 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.6 -14.94 -16.4 -18 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.6 -14.94 -16.4 -18 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.6 -14.94 -16.4 -18 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.6 -14.94 -16.4 -18 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.6 -14.94 -16.4 -18 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.6 -14.94 -16.4 -18 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.6 -14.94 -16.4 -18 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.6 -14.94 -16.4 -18 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.6 -14.94 -16.4 -18 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.6 -14.94 -16.4 -18 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.6 -14.94 -16.4 -18 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.6 -14.94 -16.4 -18 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.6 -14.94 -16.4 -18 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.4 -13.6 -14.94 -16.4 -18 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 GdSO4+ GdSO4+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: MigInt08 2 1.000 4 1.000 58 -3.4 -3.59 -3.8 -4.05 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 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Radius(Å) = 1.81 Alk. = 0.000 Ref: MigInt08 2 2.000 4 1.000 58 -4.8 -5.15 -5.65 -6.15 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-7.42 -8.17 -9.1 -10.17 -11.26 -12.38 -13.62 -14.98 -16.5 -18.1 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.38 -13.62 -14.98 -16.5 -18.1 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.38 -13.62 -14.98 -16.5 -18.1 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.38 -13.62 -14.98 -16.5 -18.1 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.38 -13.62 -14.98 -16.5 -18.1 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.38 -13.62 -14.98 -16.5 -18.1 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.38 -13.62 -14.98 -16.5 -18.1 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.38 -13.62 -14.98 -16.5 -18.1 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.38 -13.62 -14.98 -16.5 -18.1 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.38 -13.62 -14.98 -16.5 -18.1 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.38 -13.62 -14.98 -16.5 -18.1 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.38 -13.62 -14.98 -16.5 -18.1 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 TbSO4+ TbSO4+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: MigInt08 2 1.000 4 1.000 59 -3.4 -3.59 -3.8 -4.05 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 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-7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 Tb(SO4)2- Tb(SO4)2(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: MigInt08 2 2.000 4 1.000 59 -4.8 -5.15 -5.65 -6.15 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.37 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.37 -13.63 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.37 -13.63 -15.01 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.37 -13.63 -15.01 -16.55 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.37 -13.63 -15.01 -16.55 -18.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.37 -13.63 -15.01 -16.55 -18.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.37 -13.63 -15.01 -16.55 -18.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.37 -13.63 -15.01 -16.55 -18.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.37 -13.63 -15.01 -16.55 -18.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.37 -13.63 -15.01 -16.55 -18.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.37 -13.63 -15.01 -16.55 -18.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.37 -13.63 -15.01 -16.55 -18.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.37 -13.63 -15.01 -16.55 -18.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.37 -13.63 -15.01 -16.55 -18.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.37 -13.63 -15.01 -16.55 -18.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.37 -13.63 -15.01 -16.55 -18.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.37 -13.63 -15.01 -16.55 -18.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.37 -13.63 -15.01 -16.55 -18.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.37 -13.63 -15.01 -16.55 -18.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.37 -13.63 -15.01 -16.55 -18.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.37 -13.63 -15.01 -16.55 -18.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.37 -13.63 -15.01 -16.55 -18.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.37 -13.63 -15.01 -16.55 -18.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.37 -13.63 -15.01 -16.55 -18.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.37 -13.63 -15.01 -16.55 -18.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.37 -13.63 -15.01 -16.55 -18.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.37 -13.63 -15.01 -16.55 -18.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.37 -13.63 -15.01 -16.55 -18.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.37 -13.63 -15.01 -16.55 -18.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.37 -13.63 -15.01 -16.55 -18.2 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 DySO4+ DySO4+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: MigInt08 2 1.000 4 1.000 60 -3.4 -3.59 -3.8 -4.05 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 Dy(SO4)2- Dy(SO4)2(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: MigInt08 2 2.000 4 1.000 60 -4.8 -5.15 -5.65 -6.15 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.64 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.64 -15.04 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.64 -15.04 -16.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.64 -15.04 -16.6 -18.3 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.64 -15.04 -16.6 -18.3 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.64 -15.04 -16.6 -18.3 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.64 -15.04 -16.6 -18.3 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.64 -15.04 -16.6 -18.3 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.64 -15.04 -16.6 -18.3 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.64 -15.04 -16.6 -18.3 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.64 -15.04 -16.6 -18.3 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.64 -15.04 -16.6 -18.3 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.64 -15.04 -16.6 -18.3 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.64 -15.04 -16.6 -18.3 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.64 -15.04 -16.6 -18.3 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.64 -15.04 -16.6 -18.3 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.64 -15.04 -16.6 -18.3 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.64 -15.04 -16.6 -18.3 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.64 -15.04 -16.6 -18.3 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.64 -15.04 -16.6 -18.3 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.64 -15.04 -16.6 -18.3 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.64 -15.04 -16.6 -18.3 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.64 -15.04 -16.6 -18.3 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.64 -15.04 -16.6 -18.3 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.64 -15.04 -16.6 -18.3 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.64 -15.04 -16.6 -18.3 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.64 -15.04 -16.6 -18.3 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.64 -15.04 -16.6 -18.3 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.64 -15.04 -16.6 -18.3 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 HoSO4+ HoSO4+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: MigInt08 2 1.000 4 1.000 61 -3.4 -3.59 -3.8 -4.05 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 Ho(SO4)2- Ho(SO4)2(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: MigInt08 2 2.000 4 1.000 61 -4.8 -5.15 -5.65 -6.15 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.65 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.65 -15.06 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.65 -15.06 -16.65 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.65 -15.06 -16.65 -18.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.65 -15.06 -16.65 -18.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.65 -15.06 -16.65 -18.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.65 -15.06 -16.65 -18.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.65 -15.06 -16.65 -18.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.65 -15.06 -16.65 -18.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.65 -15.06 -16.65 -18.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.65 -15.06 -16.65 -18.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.65 -15.06 -16.65 -18.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.65 -15.06 -16.65 -18.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.65 -15.06 -16.65 -18.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.65 -15.06 -16.65 -18.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.65 -15.06 -16.65 -18.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.65 -15.06 -16.65 -18.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.65 -15.06 -16.65 -18.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.65 -15.06 -16.65 -18.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.65 -15.06 -16.65 -18.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.65 -15.06 -16.65 -18.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.65 -15.06 -16.65 -18.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.65 -15.06 -16.65 -18.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.65 -15.06 -16.65 -18.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.65 -15.06 -16.65 -18.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.65 -15.06 -16.65 -18.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.65 -15.06 -16.65 -18.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.65 -15.06 -16.65 -18.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.65 -15.06 -16.65 -18.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 ErSO4+ ErSO4(+) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Migdisov08 2 1.000 4 1.000 62 -3.40 -3.59 -3.80 -4.05 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.40 -3.59 -3.80 -4.05 -4.29 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.40 -3.59 -3.80 -4.05 -4.29 -4.55 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-5.42 -5.74 -6.09 -6.50 -7.00 -7.60 -8.40 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.40 -3.59 -3.80 -4.05 -4.29 -4.55 -4.82 -5.10 -5.42 -5.74 -6.09 -6.50 -7.00 -7.60 -8.40 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.40 -3.59 -3.80 -4.05 -4.29 -4.55 -4.82 -5.10 -5.42 -5.74 -6.09 -6.50 -7.00 -7.60 -8.40 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.40 -3.59 -3.80 -4.05 -4.29 -4.55 -4.82 -5.10 -5.42 -5.74 -6.09 -6.50 -7.00 -7.60 -8.40 99999.999 99999.999 99999.999 99999.999 99999.999 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-4.82 -5.10 -5.42 -5.74 -6.09 -6.50 -7.00 -7.60 -8.40 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.40 -3.59 -3.80 -4.05 -4.29 -4.55 -4.82 -5.10 -5.42 -5.74 -6.09 -6.50 -7.00 -7.60 -8.40 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.40 -3.59 -3.80 -4.05 -4.29 -4.55 -4.82 -5.10 -5.42 -5.74 -6.09 -6.50 -7.00 -7.60 -8.40 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.40 -3.59 -3.80 -4.05 -4.29 -4.55 -4.82 -5.10 -5.42 -5.74 -6.09 -6.50 -7.00 -7.60 -8.40 99999.999 99999.999 99999.999 99999.999 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Radius(Å) = 1.81 Alk. = 0.000 Ref: Migdisov08 2 2.000 4 1.000 62 -4.70 -5.20 -5.70 -6.25 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.70 -5.20 -5.70 -6.25 -6.87 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.70 -5.20 -5.70 -6.25 -6.87 -7.55 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-7.55 -8.34 -9.20 -10.13 -11.20 -12.34 -13.65 -15.08 -16.70 -18.47 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.70 -5.20 -5.70 -6.25 -6.87 -7.55 -8.34 -9.20 -10.13 -11.20 -12.34 -13.65 -15.08 -16.70 -18.47 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.70 -5.20 -5.70 -6.25 -6.87 -7.55 -8.34 -9.20 -10.13 -11.20 -12.34 -13.65 -15.08 -16.70 -18.47 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.70 -5.20 -5.70 -6.25 -6.87 -7.55 -8.34 -9.20 -10.13 -11.20 -12.34 -13.65 -15.08 -16.70 -18.47 99999.999 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-8.34 -9.20 -10.13 -11.20 -12.34 -13.65 -15.08 -16.70 -18.47 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.70 -5.20 -5.70 -6.25 -6.87 -7.55 -8.34 -9.20 -10.13 -11.20 -12.34 -13.65 -15.08 -16.70 -18.47 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.70 -5.20 -5.70 -6.25 -6.87 -7.55 -8.34 -9.20 -10.13 -11.20 -12.34 -13.65 -15.08 -16.70 -18.47 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.70 -5.20 -5.70 -6.25 -6.87 -7.55 -8.34 -9.20 -10.13 -11.20 -12.34 -13.65 -15.08 -16.70 -18.47 99999.999 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99999.999 99999.999 99999.999 99999.999 -4.70 -5.20 -5.70 -6.25 -6.87 -7.55 -8.34 -9.20 -10.13 -11.20 -12.34 -13.65 -15.08 -16.70 -18.47 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.70 -5.20 -5.70 -6.25 -6.87 -7.55 -8.34 -9.20 -10.13 -11.20 -12.34 -13.65 -15.08 -16.70 -18.47 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 TmSO4+ TmSO4+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: MigInt08 2 1.000 4 1.000 63 -3.4 -3.59 -3.8 -4.05 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 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-7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 Tm(SO4)2- Tm(SO4)2(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: MigInt08 2 2.000 4 1.000 63 -4.8 -5.15 -5.65 -6.15 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.63 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.63 -15.1 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.63 -15.1 -16.75 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.63 -15.1 -16.75 -18.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.63 -15.1 -16.75 -18.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.63 -15.1 -16.75 -18.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.63 -15.1 -16.75 -18.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.63 -15.1 -16.75 -18.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.63 -15.1 -16.75 -18.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.63 -15.1 -16.75 -18.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.63 -15.1 -16.75 -18.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.63 -15.1 -16.75 -18.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.63 -15.1 -16.75 -18.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.63 -15.1 -16.75 -18.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.63 -15.1 -16.75 -18.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.63 -15.1 -16.75 -18.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.63 -15.1 -16.75 -18.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.63 -15.1 -16.75 -18.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.63 -15.1 -16.75 -18.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.63 -15.1 -16.75 -18.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.63 -15.1 -16.75 -18.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.63 -15.1 -16.75 -18.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.63 -15.1 -16.75 -18.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.63 -15.1 -16.75 -18.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.63 -15.1 -16.75 -18.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.63 -15.1 -16.75 -18.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.63 -15.1 -16.75 -18.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.63 -15.1 -16.75 -18.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.35 -13.63 -15.1 -16.75 -18.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 YbSO4+ YbSO4+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: MigInt08 2 1.000 4 1.000 64 -3.4 -3.59 -3.8 -4.05 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 Yb(SO4)2- Yb(SO4)2(-) P-T:All Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: MigInt08 2 2.000 4 1.000 64 -4.8 -5.15 -5.65 -6.15 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.8 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.8 -15.12 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.8 -15.12 -16.8 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.8 -15.12 -16.8 -18.7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.8 -15.12 -16.8 -18.7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.8 -15.12 -16.8 -18.7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.8 -15.12 -16.8 -18.7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.8 -15.12 -16.8 -18.7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.8 -15.12 -16.8 -18.7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.8 -15.12 -16.8 -18.7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.8 -15.12 -16.8 -18.7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.8 -15.12 -16.8 -18.7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.8 -15.12 -16.8 -18.7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.8 -15.12 -16.8 -18.7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.8 -15.12 -16.8 -18.7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.8 -15.12 -16.8 -18.7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.8 -15.12 -16.8 -18.7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.8 -15.12 -16.8 -18.7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.8 -15.12 -16.8 -18.7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.8 -15.12 -16.8 -18.7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.8 -15.12 -16.8 -18.7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.8 -15.12 -16.8 -18.7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.8 -15.12 -16.8 -18.7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.8 -15.12 -16.8 -18.7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.8 -15.12 -16.8 -18.7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.8 -15.12 -16.8 -18.7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.8 -15.12 -16.8 -18.7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.8 -15.12 -16.8 -18.7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.36 -13.8 -15.12 -16.8 -18.7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 LuSO4+ LuSO4+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: MigInt08 2 1.000 4 1.000 65 -3.4 -3.59 -3.8 -4.05 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.4 -3.59 -3.8 -4.05 -4.29 -4.55 -4.82 -5.1 -5.42 -5.74 -6.09 -6.5 -7 -7.6 -8.4 99999.999 99999.999 99999.999 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Radius(Å) = 1.81 Alk. = 0.000 Ref: MigInt08 2 2.000 4 1.000 65 -4.8 -5.15 -5.65 -6.15 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.8 -5.15 -5.65 -6.15 -6.75 -7.42 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-16.85 -18.8 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.15 -5.65 -6.15 -6.75 -7.42 -8.17 -9.1 -10.17 -11.26 -12.38 -13.9 -15.14 -16.85 -18.8 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 LaCl+2 LaCl+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Migdisov09 2 1.000 3 1.000 51 -0.651 -0.741 -0.909 -1.118 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.651 -0.741 -0.909 -1.118 -1.354 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.651 -0.741 -0.909 -1.118 -1.354 -1.609 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.651 -0.741 -0.909 -1.118 -1.353 -1.609 -1.882 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.651 -0.740 -0.908 -1.117 -1.353 -1.608 -1.881 -2.171 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.650 -0.740 -0.908 -1.117 -1.352 -1.607 -1.880 -2.169 -2.477 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.649 -0.739 -0.907 -1.116 -1.351 -1.606 -1.878 -2.167 -2.474 -2.804 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.648 -0.738 -0.906 -1.115 -1.350 -1.604 -1.875 -2.164 -2.470 -2.799 -3.160 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.646 -0.737 -0.905 -1.113 -1.347 -1.601 -1.872 -2.159 -2.464 -2.791 -3.149 -3.553 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.644 -0.735 -0.903 -1.111 -1.345 -1.598 -1.868 -2.154 -2.457 -2.781 -3.135 -3.532 -3.997 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.641 -0.732 -0.900 -1.108 -1.341 -1.593 -1.862 -2.146 -2.447 -2.768 -3.117 -3.505 -3.955 -4.510 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.637 -0.730 -0.897 -1.104 -1.337 -1.588 -1.855 -2.137 -2.435 -2.752 -3.095 -3.473 -3.905 -4.427 -5.163 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.635 -0.727 -0.895 -1.102 -1.333 -1.584 -1.850 -2.130 -2.426 -2.740 -3.078 -3.449 -3.868 -4.368 -5.052 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.632 -0.724 -0.892 -1.098 -1.329 -1.578 -1.842 -2.121 -2.414 -2.724 -3.056 -3.417 -3.820 -4.290 -4.913 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.629 -0.722 -0.889 -1.094 -1.324 -1.572 -1.835 -2.111 -2.402 -2.708 -3.034 -3.386 -3.775 -4.220 -4.791 -5.744 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.626 -0.719 -0.886 -1.091 -1.320 -1.567 -1.828 -2.102 -2.390 -2.693 -3.014 -3.358 -3.733 -4.157 -4.684 -5.412 -5.735 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.623 -0.717 -0.883 -1.088 -1.316 -1.562 -1.821 -2.094 -2.379 -2.679 -2.995 -3.331 -3.695 -4.099 -4.587 -5.290 -5.520 -5.811 -6.242 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.621 -0.715 -0.881 -1.085 -1.312 -1.557 -1.815 -2.085 -2.368 -2.665 -2.976 -3.306 -3.659 -4.046 -4.501 -5.198 -5.400 -5.627 -5.898 -6.253 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.619 -0.713 -0.879 -1.082 -1.308 -1.552 -1.809 -2.077 -2.358 -2.651 -2.959 -3.282 -3.626 -3.998 -4.424 -5.120 -5.307 -5.508 -5.731 -5.989 -6.302 -6.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.617 -0.711 -0.876 -1.079 -1.305 -1.547 -1.803 -2.070 -2.348 -2.639 -2.942 -3.260 -3.595 -3.954 -4.356 -5.053 -5.229 -5.415 -5.614 -5.833 -6.080 -6.365 -6.700 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.615 -0.709 -0.874 -1.076 -1.301 -1.543 -1.797 -2.062 -2.339 -2.626 -2.926 -3.239 -3.566 -3.914 -4.295 -4.992 -5.160 -5.335 -5.520 -5.718 -5.932 -6.168 -6.433 -6.732 -7.067 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.614 -0.708 -0.872 -1.074 -1.298 -1.538 -1.791 -2.055 -2.329 -2.614 -2.911 -3.219 -3.540 -3.877 -4.241 -4.937 -5.098 -5.265 -5.440 -5.624 -5.819 -6.028 -6.255 -6.503 -6.775 -7.071 -7.389 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.613 -0.707 -0.871 -1.072 -1.295 -1.534 -1.786 -2.048 -2.320 -2.603 -2.896 -3.200 -3.515 -3.844 -4.194 -4.886 -5.042 -5.202 -5.369 -5.542 -5.725 -5.917 -6.121 -6.339 -6.573 -6.824 -7.091 -7.372 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.612 -0.705 -0.869 -1.069 -1.292 -1.530 -1.781 -2.041 -2.312 -2.592 -2.882 -3.182 -3.492 -3.814 -4.152 -4.839 -4.990 -5.145 -5.305 -5.471 -5.643 -5.823 -6.012 -6.210 -6.420 -6.642 -6.875 -7.119 -7.373 -7.633 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.611 -0.704 -0.868 -1.067 -1.289 -1.526 -1.775 -2.035 -2.303 -2.581 -2.869 -3.165 -3.471 -3.787 -4.115 -4.795 -4.942 -5.092 -5.246 -5.406 -5.571 -5.741 -5.919 -6.104 -6.297 -6.499 -6.709 -6.928 -7.153 -7.385 -7.619 99999.999 99999.999 99999.999 99999.999 99999.999 -0.610 -0.704 -0.866 -1.065 -1.286 -1.523 -1.771 -2.028 -2.295 -2.571 -2.856 -3.149 -3.451 -3.762 -4.083 -4.754 -4.897 -5.043 -5.193 -5.347 -5.505 -5.668 -5.837 -6.012 -6.193 -6.380 -6.574 -6.775 -6.980 -7.191 -7.404 -7.617 -7.830 99999.999 99999.999 99999.999 -0.610 -0.703 -0.865 -1.063 -1.284 -1.519 -1.766 -2.022 -2.287 -2.561 -2.844 -3.134 -3.432 -3.738 -4.053 -4.715 -4.854 -4.997 -5.143 -5.292 -5.445 -5.602 -5.764 -5.931 -6.102 -6.279 -6.461 -6.648 -6.839 -7.033 -7.230 -7.428 -7.625 -7.819 99999.999 99999.999 -0.610 -0.702 -0.864 -1.062 -1.281 -1.516 -1.761 -2.016 -2.280 -2.552 -2.832 -3.119 -3.414 -3.717 -4.027 -4.678 -4.814 -4.954 -5.096 -5.241 -5.389 -5.541 -5.697 -5.857 -6.021 -6.190 -6.362 -6.538 -6.718 -6.901 -7.085 -7.271 -7.456 -7.639 -7.818 -7.993 -0.610 -0.702 -0.863 -1.060 -1.279 -1.512 -1.757 -2.011 -2.273 -2.542 -2.820 -3.105 -3.397 -3.696 -4.002 -4.643 -4.777 -4.913 -5.052 -5.193 -5.337 -5.485 -5.636 -5.790 -5.948 -6.110 -6.274 -6.442 -6.613 -6.786 -6.961 -7.137 -7.312 -7.486 -7.657 -7.825 -0.619 -0.704 -0.859 -1.049 -1.261 -1.486 -1.720 -1.962 -2.210 -2.463 -2.722 -2.985 -3.253 -3.525 -3.800 -4.363 -4.478 -4.594 -4.711 -4.830 -4.949 -5.069 -5.191 -5.314 -5.438 -5.564 -5.690 -5.818 -5.947 -6.077 -6.207 -6.338 -6.470 -6.602 -6.733 -6.865 -0.644 -0.716 -0.863 -1.046 -1.251 -1.468 -1.694 -1.927 -2.163 -2.404 -2.648 -2.895 -3.144 -3.396 -3.650 -4.163 -4.267 -4.371 -4.476 -4.581 -4.687 -4.793 -4.900 -5.008 -5.116 -5.224 -5.334 -5.444 -5.555 -5.666 -5.778 -5.890 -6.003 -6.116 -6.229 -6.343 -0.679 -0.737 -0.875 -1.051 -1.248 -1.458 -1.677 -1.901 -2.128 -2.358 -2.590 -2.824 -3.059 -3.296 -3.533 -4.010 -4.106 -4.202 -4.298 -4.394 -4.491 -4.588 -4.685 -4.782 -4.880 -4.978 -5.076 -5.175 -5.274 -5.374 -5.474 -5.574 -5.675 -5.776 -5.877 -5.979 -0.724 -0.765 -0.892 -1.060 -1.251 -1.454 -1.666 -1.882 -2.101 -2.322 -2.545 -2.768 -2.991 -3.215 -3.439 -3.887 -3.977 -4.067 -4.156 -4.246 -4.336 -4.426 -4.515 -4.606 -4.696 -4.786 -4.877 -4.968 -5.059 -5.150 -5.241 -5.333 -5.425 -5.518 -5.610 -5.703 -0.776 -0.798 -0.915 -1.075 -1.258 -1.455 -1.660 -1.870 -2.082 -2.295 -2.509 -2.723 -2.936 -3.150 -3.363 -3.787 -3.872 -3.956 -4.041 -4.125 -4.210 -4.294 -4.378 -4.463 -4.547 -4.632 -4.716 -4.801 -4.886 -4.971 -5.056 -5.141 -5.227 -5.312 -5.398 -5.484 -0.834 -0.836 -0.942 -1.093 -1.270 -1.460 -1.659 -1.862 -2.068 -2.274 -2.480 -2.686 -2.892 -3.096 -3.300 -3.704 -3.784 -3.865 -3.945 -4.025 -4.105 -4.185 -4.265 -4.345 -4.424 -4.504 -4.584 -4.664 -4.744 -4.824 -4.904 -4.984 -5.064 -5.145 -5.225 -5.306 -0.897 -0.878 -0.972 -1.115 -1.284 -1.468 -1.661 -1.859 -2.058 -2.258 -2.458 -2.657 -2.855 -3.052 -3.247 -3.634 -3.711 -3.788 -3.864 -3.941 -4.017 -4.093 -4.169 -4.245 -4.321 -4.397 -4.473 -4.549 -4.625 -4.701 -4.777 -4.853 -4.929 -5.005 -5.082 -5.158 99999.999 -0.922 -1.005 -1.140 -1.302 -1.480 -1.667 -1.858 -2.053 -2.247 -2.441 -2.634 -2.825 -3.015 -3.203 -3.575 -3.649 -3.723 -3.796 -3.869 -3.942 -4.015 -4.088 -4.161 -4.234 -4.306 -4.379 -4.451 -4.524 -4.597 -4.669 -4.742 -4.815 -4.887 -4.960 -5.033 LaCl2+ LaCl2+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Migdisov09 2 2.000 3 1.000 51 -0.182 -0.507 -0.911 -1.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.182 -0.507 -0.911 -1.350 -1.811 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.182 -0.507 -0.911 -1.350 -1.810 -2.290 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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LaF+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Migdisov09 2 1.000 23 1.000 51 -3.537 -3.628 -3.857 -4.156 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.537 -3.628 -3.857 -4.156 -4.497 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.537 -3.628 -3.857 -4.155 -4.497 -4.869 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-8.686 -8.799 -8.912 -9.025 -9.137 -9.249 -9.360 -9.472 -9.583 -9.694 -9.804 -9.915 -10.025 -10.136 -10.246 CeF+2 CeF+2 P-T:All Charge = 2. 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.717 -3.817 -4.039 -4.323 -4.644 -4.990 -5.354 -5.733 -6.125 -6.530 -6.945 -7.371 -7.806 -8.250 -8.710 -9.537 -9.708 -9.877 -10.044 -10.208 -10.368 -10.525 -10.679 -10.834 -10.990 -11.152 -11.324 -11.505 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.716 -3.816 -4.037 -4.320 -4.641 -4.985 -5.348 -5.725 -6.115 -6.516 -6.928 -7.350 -7.779 -8.215 -8.661 -9.500 -9.672 -9.842 -10.010 -10.177 -10.341 -10.503 -10.662 -10.820 -10.977 -11.136 -11.297 -11.462 -11.632 -11.805 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.715 -3.815 -4.036 -4.318 -4.637 -4.981 -5.342 -5.717 -6.105 -6.503 -6.912 -7.330 -7.754 -8.183 -8.619 -9.464 -9.635 -9.805 -9.974 -10.142 -10.308 -10.473 -10.636 -10.797 -10.956 -11.115 -11.274 -11.433 -11.593 -11.754 -11.914 99999.999 99999.999 99999.999 99999.999 99999.999 -3.714 -3.814 -4.034 -4.316 -4.634 -4.976 -5.336 -5.709 -6.095 -6.491 -6.897 -7.310 -7.730 -8.154 -8.582 -9.428 -9.598 -9.768 -9.937 -10.105 -10.273 -10.439 -10.603 -10.766 -10.928 -11.088 -11.247 -11.405 -11.561 -11.717 -11.871 -12.021 -12.167 99999.999 99999.999 99999.999 -3.713 -3.813 -4.033 -4.314 -4.631 -4.972 -5.330 -5.702 -6.085 -6.479 -6.882 -7.292 -7.708 -8.127 -8.550 -9.393 -9.562 -9.731 -9.900 -10.068 -10.235 -10.402 -10.568 -10.732 -10.895 -11.056 -11.216 -11.374 -11.530 -11.684 -11.835 -11.983 -12.126 -12.262 99999.999 99999.999 -3.713 -3.812 -4.032 -4.312 -4.628 -4.968 -5.325 -5.695 -6.076 -6.467 -6.867 -7.274 -7.687 -8.103 -8.521 -9.359 -9.527 -9.695 -9.862 -10.030 -10.197 -10.364 -10.530 -10.695 -10.858 -11.021 -11.181 -11.340 -11.497 -11.651 -11.802 -11.949 -12.091 -12.228 -12.358 -12.479 -3.712 -3.812 -4.030 -4.310 -4.625 -4.964 -5.319 -5.688 -6.067 -6.456 -6.853 -7.257 -7.667 -8.079 -8.494 -9.325 -9.492 -9.659 -9.826 -9.992 -10.159 -10.325 -10.491 -10.656 -10.820 -10.983 -11.144 -11.304 -11.461 -11.616 -11.767 -11.915 -12.059 -12.197 -12.328 -12.453 -3.717 -3.811 -4.023 -4.295 -4.602 -4.930 -5.273 -5.627 -5.989 -6.358 -6.732 -7.111 -7.494 -7.878 -8.263 -9.034 -9.188 -9.343 -9.497 -9.652 -9.807 -9.962 -10.118 -10.273 -10.429 -10.584 -10.740 -10.895 -11.050 -11.204 -11.358 -11.511 -11.663 -11.813 -11.962 -12.109 -3.735 -3.818 -4.023 -4.287 -4.586 -4.905 -5.238 -5.580 -5.928 -6.281 -6.637 -6.997 -7.358 -7.721 -8.083 -8.806 -8.950 -9.094 -9.238 -9.382 -9.527 -9.671 -9.815 -9.959 -10.104 -10.248 -10.393 -10.538 -10.683 -10.827 -10.972 -11.117 -11.262 -11.407 -11.551 -11.695 -3.763 -3.833 -4.028 -4.285 -4.575 -4.887 -5.211 -5.542 -5.879 -6.219 -6.561 -6.905 -7.250 -7.594 -7.938 -8.622 -8.758 -8.894 -9.030 -9.165 -9.301 -9.436 -9.571 -9.706 -9.842 -9.977 -10.112 -10.248 -10.383 -10.519 -10.654 -10.790 -10.926 -11.062 -11.198 -11.334 -3.798 -3.853 -4.038 -4.287 -4.570 -4.874 -5.190 -5.513 -5.840 -6.169 -6.499 -6.830 -7.160 -7.490 -7.818 -8.470 -8.599 -8.728 -8.857 -8.986 -9.114 -9.243 -9.371 -9.498 -9.626 -9.754 -9.881 -10.009 -10.137 -10.264 -10.392 -10.520 -10.648 -10.776 -10.904 -11.032 -3.841 -3.878 -4.053 -4.293 -4.569 -4.865 -5.174 -5.489 -5.807 -6.127 -6.447 -6.767 -7.085 -7.403 -7.718 -8.342 -8.466 -8.590 -8.713 -8.836 -8.958 -9.080 -9.202 -9.324 -9.446 -9.567 -9.689 -9.810 -9.931 -10.052 -10.173 -10.294 -10.415 -10.537 -10.658 -10.779 -3.888 -3.906 -4.070 -4.302 -4.571 -4.860 -5.162 -5.470 -5.781 -6.093 -6.404 -6.714 -7.022 -7.329 -7.633 -8.234 -8.353 -8.472 -8.590 -8.708 -8.825 -8.942 -9.059 -9.176 -9.293 -9.409 -9.525 -9.641 -9.756 -9.872 -9.988 -10.103 -10.219 -10.335 -10.450 -10.566 -3.939 -3.937 -4.091 -4.315 -4.576 -4.858 -5.154 -5.455 -5.759 -6.064 -6.368 -6.670 -6.969 -7.266 -7.560 -8.141 -8.256 -8.370 -8.484 -8.598 -8.711 -8.824 -8.937 -9.049 -9.161 -9.273 -9.384 -9.496 -9.607 -9.718 -9.829 -9.940 -10.051 -10.162 -10.273 -10.384 99999.999 -3.971 -4.114 -4.329 -4.583 -4.859 -5.148 -5.444 -5.742 -6.040 -6.337 -6.631 -6.923 -7.212 -7.497 -8.060 -8.171 -8.282 -8.393 -8.502 -8.612 -8.721 -8.830 -8.939 -9.047 -9.155 -9.263 -9.370 -9.478 -9.585 -9.692 -9.799 -9.906 -10.013 -10.120 -10.227 CeCl+2 CeCl+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Migdisov09 2 1.000 3 1.000 52 -0.456 -0.682 -0.946 -1.225 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.456 -0.682 -0.946 -1.225 -1.512 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.456 -0.682 -0.946 -1.225 -1.511 -1.805 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.456 -0.682 -0.946 -1.225 -1.511 -1.804 -2.105 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.456 -0.682 -0.946 -1.224 -1.511 -1.804 -2.105 -2.416 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.455 -0.681 -0.945 -1.224 -1.510 -1.803 -2.103 -2.414 -2.738 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.455 -0.681 -0.945 -1.223 -1.509 -1.801 -2.102 -2.412 -2.735 -3.078 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.453 -0.680 -0.944 -1.222 -1.507 -1.799 -2.099 -2.408 -2.730 -3.072 -3.444 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.452 -0.679 -0.942 -1.220 -1.505 -1.797 -2.095 -2.403 -2.724 -3.064 -3.432 -3.846 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.450 -0.677 -0.941 -1.218 -1.503 -1.793 -2.091 -2.397 -2.716 -3.053 -3.417 -3.823 -4.295 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.448 -0.675 -0.938 -1.215 -1.499 -1.788 -2.084 -2.389 -2.706 -3.039 -3.397 -3.795 -4.251 -4.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.445 -0.673 -0.936 -1.212 -1.495 -1.783 -2.077 -2.379 -2.692 -3.021 -3.373 -3.759 -4.198 -4.719 -5.403 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.443 -0.671 -0.934 -1.209 -1.491 -1.778 -2.071 -2.372 -2.683 -3.008 -3.355 -3.733 -4.158 -4.659 -5.324 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.441 -0.669 -0.931 -1.206 -1.487 -1.772 -2.063 -2.361 -2.669 -2.990 -3.330 -3.697 -4.105 -4.578 -5.199 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.438 -0.667 -0.928 -1.203 -1.482 -1.766 -2.056 -2.351 -2.656 -2.973 -3.306 -3.664 -4.056 -4.503 -5.077 -4.815 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.436 -0.665 -0.926 -1.199 -1.478 -1.761 -2.048 -2.342 -2.643 -2.956 -3.284 -3.633 -4.010 -4.434 -4.964 -5.192 -5.169 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.434 -0.663 -0.924 -1.196 -1.474 -1.756 -2.041 -2.332 -2.631 -2.940 -3.263 -3.603 -3.968 -4.371 -4.861 -5.239 -5.321 -5.376 -5.468 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.433 -0.661 -0.922 -1.194 -1.470 -1.750 -2.034 -2.323 -2.620 -2.925 -3.242 -3.575 -3.928 -4.313 -4.767 -5.226 -5.340 -5.441 -5.534 -5.651 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.432 -0.660 -0.920 -1.191 -1.467 -1.746 -2.028 -2.315 -2.608 -2.910 -3.223 -3.549 -3.892 -4.259 -4.682 -5.194 -5.320 -5.440 -5.554 -5.668 -5.800 -5.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.430 -0.659 -0.918 -1.189 -1.463 -1.741 -2.021 -2.306 -2.597 -2.896 -3.205 -3.524 -3.858 -4.211 -4.606 -5.156 -5.287 -5.415 -5.539 -5.662 -5.788 -5.929 -6.100 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.430 -0.658 -0.917 -1.186 -1.460 -1.736 -2.015 -2.298 -2.587 -2.883 -3.187 -3.501 -3.826 -4.167 -4.539 -5.116 -5.248 -5.379 -5.509 -5.637 -5.765 -5.898 -6.043 -6.207 -6.399 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.429 -0.657 -0.915 -1.184 -1.457 -1.732 -2.009 -2.291 -2.577 -2.870 -3.170 -3.479 -3.797 -4.127 -4.480 -5.076 -5.208 -5.339 -5.470 -5.601 -5.732 -5.864 -6.001 -6.146 -6.304 -6.480 -6.674 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.429 -0.656 -0.914 -1.182 -1.454 -1.728 -2.004 -2.283 -2.567 -2.857 -3.154 -3.458 -3.770 -4.091 -4.428 -5.037 -5.167 -5.298 -5.430 -5.561 -5.692 -5.825 -5.959 -6.097 -6.241 -6.394 -6.556 -6.730 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.429 -0.656 -0.913 -1.180 -1.451 -1.724 -1.998 -2.276 -2.558 -2.845 -3.139 -3.439 -3.745 -4.059 -4.383 -4.998 -5.127 -5.257 -5.388 -5.519 -5.650 -5.782 -5.915 -6.050 -6.187 -6.329 -6.476 -6.629 -6.787 -6.948 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.429 -0.655 -0.912 -1.178 -1.448 -1.720 -1.993 -2.269 -2.549 -2.834 -3.124 -3.420 -3.722 -4.029 -4.343 -4.960 -5.088 -5.217 -5.346 -5.476 -5.606 -5.737 -5.869 -6.002 -6.137 -6.273 -6.412 -6.553 -6.697 -6.843 -6.989 99999.999 99999.999 99999.999 99999.999 99999.999 -0.429 -0.655 -0.911 -1.177 -1.446 -1.716 -1.988 -2.262 -2.540 -2.822 -3.110 -3.403 -3.700 -4.002 -4.309 -4.924 -5.050 -5.177 -5.305 -5.433 -5.562 -5.692 -5.823 -5.955 -6.087 -6.220 -6.354 -6.490 -6.626 -6.762 -6.898 -7.032 -7.162 99999.999 99999.999 99999.999 -0.429 -0.655 -0.910 -1.175 -1.443 -1.712 -1.983 -2.255 -2.531 -2.811 -3.096 -3.386 -3.680 -3.977 -4.278 -4.889 -5.013 -5.139 -5.265 -5.392 -5.519 -5.648 -5.777 -5.907 -6.037 -6.168 -6.300 -6.432 -6.563 -6.694 -6.824 -6.952 -7.076 -7.194 99999.999 99999.999 -0.430 -0.655 -0.910 -1.174 -1.441 -1.709 -1.978 -2.249 -2.523 -2.801 -3.083 -3.370 -3.660 -3.954 -4.251 -4.855 -4.977 -5.101 -5.226 -5.351 -5.477 -5.604 -5.732 -5.860 -5.989 -6.118 -6.247 -6.376 -6.505 -6.633 -6.759 -6.883 -7.004 -7.120 -7.230 -7.333 -0.431 -0.655 -0.909 -1.172 -1.439 -1.706 -1.974 -2.243 -2.515 -2.791 -3.071 -3.355 -3.642 -3.932 -4.226 -4.822 -4.943 -5.065 -5.188 -5.311 -5.436 -5.561 -5.687 -5.814 -5.941 -6.068 -6.196 -6.323 -6.450 -6.576 -6.700 -6.822 -6.940 -7.055 -7.164 -7.268 -0.449 -0.664 -0.910 -1.165 -1.422 -1.680 -1.936 -2.191 -2.447 -2.704 -2.963 -3.223 -3.485 -3.748 -4.012 -4.544 -4.651 -4.758 -4.866 -4.975 -5.084 -5.194 -5.304 -5.415 -5.526 -5.638 -5.750 -5.862 -5.975 -6.088 -6.201 -6.313 -6.425 -6.536 -6.646 -6.755 -0.483 -0.683 -0.920 -1.166 -1.415 -1.664 -1.910 -2.154 -2.397 -2.639 -2.881 -3.123 -3.365 -3.608 -3.850 -4.333 -4.430 -4.527 -4.624 -4.722 -4.819 -4.917 -5.016 -5.114 -5.213 -5.312 -5.412 -5.512 -5.612 -5.713 -5.814 -5.915 -6.017 -6.119 -6.220 -6.322 -0.528 -0.712 -0.937 -1.175 -1.416 -1.656 -1.893 -2.128 -2.360 -2.589 -2.818 -3.045 -3.271 -3.497 -3.721 -4.167 -4.256 -4.345 -4.434 -4.523 -4.612 -4.701 -4.790 -4.880 -4.969 -5.059 -5.149 -5.239 -5.330 -5.421 -5.512 -5.603 -5.695 -5.787 -5.880 -5.972 -0.583 -0.747 -0.961 -1.190 -1.422 -1.654 -1.883 -2.109 -2.332 -2.551 -2.768 -2.983 -3.196 -3.407 -3.617 -4.033 -4.115 -4.198 -4.280 -4.362 -4.444 -4.526 -4.609 -4.691 -4.773 -4.855 -4.938 -5.020 -5.103 -5.186 -5.269 -5.353 -5.437 -5.521 -5.605 -5.690 -0.645 -0.788 -0.990 -1.209 -1.433 -1.657 -1.879 -2.097 -2.312 -2.522 -2.729 -2.933 -3.135 -3.335 -3.532 -3.922 -3.999 -4.076 -4.153 -4.230 -4.306 -4.382 -4.459 -4.535 -4.611 -4.687 -4.764 -4.840 -4.917 -4.993 -5.070 -5.147 -5.225 -5.302 -5.380 -5.458 -0.713 -0.834 -1.023 -1.233 -1.449 -1.665 -1.880 -2.091 -2.298 -2.500 -2.699 -2.894 -3.086 -3.275 -3.462 -3.829 -3.902 -3.974 -4.047 -4.118 -4.190 -4.262 -4.333 -4.405 -4.476 -4.547 -4.619 -4.690 -4.761 -4.833 -4.904 -4.976 -5.048 -5.120 -5.192 -5.265 -0.787 -0.884 -1.060 -1.260 -1.468 -1.677 -1.885 -2.089 -2.289 -2.484 -2.675 -2.862 -3.046 -3.226 -3.404 -3.752 -3.820 -3.889 -3.957 -4.025 -4.092 -4.160 -4.227 -4.294 -4.361 -4.429 -4.496 -4.563 -4.630 -4.697 -4.764 -4.831 -4.899 -4.966 -5.034 -5.102 99999.999 -0.936 -1.100 -1.290 -1.490 -1.692 -1.893 -2.090 -2.284 -2.473 -2.657 -2.837 -3.013 -3.185 -3.355 -3.686 -3.751 -3.816 -3.880 -3.945 -4.009 -4.073 -4.137 -4.200 -4.264 -4.327 -4.391 -4.454 -4.517 -4.581 -4.644 -4.708 -4.772 -4.836 -4.900 -4.964 CeCl2+ CeCl2+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Migdisov09 2 2.000 3 1.000 52 0.074 -0.463 -0.994 -1.507 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.074 -0.463 -0.994 -1.507 -2.006 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.074 -0.463 -0.994 -1.507 -2.005 -2.497 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.075 -0.463 -0.994 -1.506 -2.005 -2.496 -2.990 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.075 -0.462 -0.993 -1.505 -2.004 -2.495 -2.988 -3.493 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.077 -0.461 -0.992 -1.504 -2.002 -2.493 -2.986 -3.489 -4.014 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.079 -0.459 -0.990 -1.502 -1.999 -2.490 -2.982 -3.484 -4.007 -4.565 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.081 -0.457 -0.987 -1.499 -1.996 -2.485 -2.976 -3.477 -3.997 -4.553 -5.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.085 -0.453 -0.984 -1.495 -1.991 -2.479 -2.968 -3.467 -3.984 -4.535 -5.142 -5.840 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.090 -0.449 -0.979 -1.490 -1.984 -2.471 -2.958 -3.453 -3.967 -4.512 -5.110 -5.793 -6.606 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.096 -0.444 -0.973 -1.483 -1.976 -2.460 -2.944 -3.436 -3.945 -4.483 -5.070 -5.734 -6.517 -7.491 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.104 -0.437 -0.966 -1.474 -1.966 -2.447 -2.928 -3.415 -3.917 -4.447 -5.020 -5.662 -6.408 -7.325 -8.585 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.109 -0.432 -0.961 -1.468 -1.958 -2.438 -2.915 -3.399 -3.897 -4.419 -4.982 -5.608 -6.329 -7.203 -8.417 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.116 -0.425 -0.953 -1.459 -1.947 -2.424 -2.898 -3.376 -3.868 -4.382 -4.931 -5.535 -6.221 -7.038 -8.158 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.123 -0.419 -0.946 -1.451 -1.936 -2.411 -2.881 -3.355 -3.840 -4.346 -4.883 -5.467 -6.121 -6.886 -7.910 -7.396 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.129 -0.413 -0.940 -1.443 -1.926 -2.398 -2.864 -3.334 -3.814 -4.311 -4.836 -5.402 -6.027 -6.746 -7.680 -7.976 -7.963 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.135 -0.408 -0.933 -1.435 -1.917 -2.385 -2.849 -3.314 -3.788 -4.278 -4.792 -5.342 -5.940 -6.617 -7.469 -8.031 -8.177 -8.293 -8.514 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.140 -0.403 -0.927 -1.428 -1.907 -2.374 -2.834 -3.294 -3.763 -4.246 -4.750 -5.285 -5.860 -6.498 -7.279 -7.984 -8.181 -8.361 -8.539 -8.783 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.145 -0.398 -0.922 -1.420 -1.898 -2.362 -2.819 -3.276 -3.739 -4.215 -4.710 -5.231 -5.785 -6.390 -7.107 -7.907 -8.122 -8.330 -8.532 -8.744 -9.005 -9.377 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.149 -0.394 -0.916 -1.414 -1.890 -2.351 -2.805 -3.258 -3.716 -4.186 -4.672 -5.180 -5.716 -6.292 -6.954 -7.822 -8.042 -8.260 -8.476 -8.693 -8.925 -9.193 -9.530 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.152 -0.390 -0.911 -1.407 -1.881 -2.340 -2.791 -3.240 -3.694 -4.157 -4.636 -5.132 -5.651 -6.202 -6.818 -7.735 -7.956 -8.176 -8.397 -8.619 -8.846 -9.087 -9.357 -9.672 -10.048 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.155 -0.386 -0.907 -1.401 -1.873 -2.330 -2.778 -3.223 -3.672 -4.130 -4.601 -5.087 -5.592 -6.121 -6.698 -7.649 -7.867 -8.087 -8.308 -8.531 -8.757 -8.990 -9.236 -9.503 -9.800 -10.136 -10.512 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.158 -0.383 -0.902 -1.395 -1.866 -2.320 -2.765 -3.207 -3.651 -4.104 -4.567 -5.044 -5.536 -6.047 -6.592 -7.565 -7.780 -7.998 -8.217 -8.438 -8.663 -8.891 -9.127 -9.373 -9.634 -9.916 -10.222 -10.551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.160 -0.380 -0.898 -1.390 -1.858 -2.310 -2.752 -3.191 -3.631 -4.078 -4.535 -5.004 -5.485 -5.981 -6.500 -7.484 -7.695 -7.909 -8.126 -8.344 -8.566 -8.791 -9.020 -9.255 -9.499 -9.754 -10.022 -10.303 -10.598 -10.901 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.162 -0.377 -0.894 -1.384 -1.851 -2.301 -2.740 -3.175 -3.611 -4.054 -4.504 -4.965 -5.437 -5.920 -6.419 -7.405 -7.613 -7.823 -8.036 -8.251 -8.469 -8.690 -8.915 -9.143 -9.377 -9.617 -9.863 -10.118 -10.379 -10.646 -10.915 99999.999 99999.999 99999.999 99999.999 99999.999 0.164 -0.375 -0.891 -1.379 -1.844 -2.292 -2.729 -3.160 -3.592 -4.030 -4.475 -4.929 -5.392 -5.865 -6.349 -7.329 -7.533 -7.739 -7.948 -8.160 -8.374 -8.591 -8.811 -9.035 -9.261 -9.491 -9.726 -9.964 -10.206 -10.450 -10.695 -10.936 -11.171 99999.999 99999.999 99999.999 0.164 -0.372 -0.888 -1.375 -1.838 -2.283 -2.717 -3.146 -3.574 -4.007 -4.446 -4.894 -5.350 -5.814 -6.286 -7.255 -7.456 -7.658 -7.863 -8.071 -8.282 -8.495 -8.710 -8.929 -9.150 -9.373 -9.599 -9.827 -10.057 -10.287 -10.516 -10.742 -10.962 -11.173 99999.999 99999.999 0.165 -0.371 -0.884 -1.370 -1.832 -2.275 -2.706 -3.132 -3.556 -3.984 -4.419 -4.861 -5.310 -5.766 -6.230 -7.184 -7.381 -7.580 -7.781 -7.985 -8.192 -8.401 -8.612 -8.826 -9.042 -9.260 -9.480 -9.701 -9.922 -10.144 -10.363 -10.579 -10.789 -10.991 -11.183 -11.361 0.165 -0.369 -0.882 -1.366 -1.826 -2.267 -2.696 -3.118 -3.539 -3.963 -4.392 -4.829 -5.272 -5.721 -6.177 -7.116 -7.309 -7.504 -7.702 -7.902 -8.104 -8.309 -8.517 -8.726 -8.938 -9.151 -9.366 -9.581 -9.797 -10.011 -10.224 -10.433 -10.637 -10.834 -11.022 -11.199 0.147 -0.369 -0.866 -1.335 -1.778 -2.200 -2.606 -3.002 -3.391 -3.778 -4.165 -4.554 -4.946 -5.340 -5.737 -6.542 -6.705 -6.870 -7.036 -7.203 -7.372 -7.543 -7.715 -7.888 -8.063 -8.240 -8.418 -8.597 -8.777 -8.957 -9.138 -9.319 -9.499 -9.678 -9.856 -10.031 0.097 -0.391 -0.870 -1.322 -1.749 -2.154 -2.541 -2.915 -3.278 -3.636 -3.990 -4.343 -4.695 -5.048 -5.400 -6.108 -6.251 -6.394 -6.537 -6.682 -6.827 -6.973 -7.120 -7.268 -7.417 -7.567 -7.719 -7.871 -8.025 -8.179 -8.334 -8.491 -8.648 -8.806 -8.964 -9.123 0.023 -0.431 -0.889 -1.325 -1.736 -2.125 -2.495 -2.849 -3.192 -3.525 -3.852 -4.176 -4.497 -4.816 -5.133 -5.765 -5.892 -6.019 -6.145 -6.273 -6.400 -6.528 -6.657 -6.786 -6.916 -7.047 -7.178 -7.310 -7.444 -7.578 -7.713 -7.849 -7.985 -8.123 -8.262 -8.402 -0.071 -0.486 -0.921 -1.339 -1.735 -2.109 -2.463 -2.801 -3.125 -3.438 -3.743 -4.042 -4.337 -4.628 -4.916 -5.487 -5.601 -5.714 -5.828 -5.941 -6.055 -6.169 -6.283 -6.398 -6.513 -6.628 -6.744 -6.861 -6.978 -7.096 -7.215 -7.335 -7.455 -7.577 -7.699 -7.822 -0.180 -0.553 -0.964 -1.364 -1.744 -2.103 -2.443 -2.765 -3.073 -3.369 -3.655 -3.933 -4.206 -4.473 -4.737 -5.257 -5.359 -5.462 -5.565 -5.667 -5.769 -5.872 -5.975 -6.077 -6.180 -6.284 -6.387 -6.492 -6.596 -6.701 -6.807 -6.914 -7.021 -7.129 -7.238 -7.348 -0.301 -0.630 -1.016 -1.398 -1.762 -2.107 -2.433 -2.741 -3.035 -3.315 -3.585 -3.845 -4.098 -4.345 -4.588 -5.063 -5.157 -5.250 -5.344 -5.437 -5.530 -5.623 -5.716 -5.809 -5.902 -5.995 -6.089 -6.182 -6.277 -6.372 -6.467 -6.563 -6.659 -6.756 -6.854 -6.953 -0.433 -0.714 -1.076 -1.439 -1.788 -2.118 -2.431 -2.726 -3.007 -3.273 -3.528 -3.772 -4.009 -4.238 -4.463 -4.900 -4.985 -5.071 -5.156 -5.241 -5.326 -5.411 -5.496 -5.580 -5.665 -5.750 -5.835 -5.920 -6.006 -6.092 -6.179 -6.266 -6.353 -6.442 -6.531 -6.620 99999.999 -0.805 -1.142 -1.487 -1.820 -2.137 -2.436 -2.719 -2.987 -3.241 -3.482 -3.713 -3.935 -4.149 -4.357 -4.760 -4.839 -4.918 -4.996 -5.074 -5.152 -5.230 -5.307 -5.385 -5.463 -5.540 -5.618 -5.696 -5.775 -5.853 -5.932 -6.012 -6.092 -6.173 -6.254 -6.337 PrCl+2 PrCl+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Migdisov09 2 1.000 3 1.000 53 -0.555 -0.712 -0.931 -1.180 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.555 -0.712 -0.931 -1.180 -1.447 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.555 -0.712 -0.931 -1.180 -1.447 -1.729 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.554 -0.711 -0.930 -1.179 -1.447 -1.729 -2.025 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.554 -0.711 -0.930 -1.179 -1.447 -1.728 -2.024 -2.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.553 -0.711 -0.930 -1.179 -1.446 -1.728 -2.023 -2.333 -2.659 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.552 -0.710 -0.929 -1.178 -1.445 -1.726 -2.021 -2.330 -2.656 -3.004 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.551 -0.709 -0.928 -1.177 -1.444 -1.724 -2.019 -2.327 -2.652 -2.998 -3.377 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.549 -0.708 -0.927 -1.175 -1.442 -1.722 -2.015 -2.323 -2.646 -2.990 -3.366 -3.788 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-4.233 -4.668 -5.233 -5.373 -5.510 -5.645 -5.785 -5.949 -6.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.512 -0.684 -0.904 -1.147 -1.405 -1.672 -1.948 -2.233 -2.527 -2.832 -3.147 -3.476 -3.821 -4.186 -4.594 -5.191 -5.333 -5.475 -5.616 -5.758 -5.907 -6.073 -6.274 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.510 -0.683 -0.902 -1.145 -1.402 -1.668 -1.943 -2.226 -2.517 -2.819 -3.131 -3.454 -3.790 -4.143 -4.528 -5.149 -5.291 -5.434 -5.576 -5.720 -5.866 -6.020 -6.186 -6.375 -6.594 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.508 -0.681 -0.901 -1.143 -1.399 -1.664 -1.937 -2.218 -2.508 -2.806 -3.115 -3.433 -3.762 -4.105 -4.471 -5.107 -5.248 -5.390 -5.533 -5.676 -5.822 -5.971 -6.126 -6.291 -6.471 -6.669 -6.886 99999.999 99999.999 99999.999 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-5.357 -5.495 -5.633 -5.773 -5.915 -6.058 -6.203 -6.349 -6.498 -6.648 -6.799 -6.952 -7.104 -7.255 -7.402 99999.999 99999.999 99999.999 -0.499 -0.676 -0.895 -1.135 -1.387 -1.647 -1.913 -2.186 -2.465 -2.751 -3.044 -3.344 -3.649 -3.959 -4.274 -4.917 -5.049 -5.182 -5.316 -5.451 -5.588 -5.726 -5.866 -6.006 -6.148 -6.291 -6.435 -6.580 -6.726 -6.871 -7.016 -7.159 -7.299 -7.434 99999.999 99999.999 -0.498 -0.676 -0.894 -1.134 -1.385 -1.644 -1.909 -2.180 -2.458 -2.742 -3.032 -3.328 -3.630 -3.936 -4.247 -4.883 -5.013 -5.144 -5.276 -5.410 -5.544 -5.680 -5.817 -5.956 -6.095 -6.235 -6.376 -6.518 -6.659 -6.800 -6.941 -7.079 -7.214 -7.345 -7.471 -7.589 -0.497 -0.675 -0.894 -1.132 -1.383 -1.641 -1.905 -2.175 -2.450 -2.732 -3.020 -3.314 -3.612 -3.915 -4.222 -4.850 -4.978 -5.108 -5.238 -5.369 -5.502 -5.636 -5.771 -5.907 -6.044 -6.182 -6.320 -6.459 -6.597 -6.735 -6.872 -7.007 -7.139 -7.268 -7.392 -7.510 -0.497 -0.677 -0.892 -1.125 -1.368 -1.617 -1.871 -2.127 -2.387 -2.651 -2.918 -3.188 -3.461 -3.737 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Radius(Å) = 2.31 Alk. = 0.000 Ref: Migdisov09 2 2.000 3 1.000 53 -0.071 -0.449 -0.881 -1.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.071 -0.449 -0.881 -1.334 -1.798 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.070 -0.448 -0.881 -1.333 -1.798 -2.275 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.052 -0.434 -0.866 -1.317 -1.778 -2.250 -2.737 -3.242 -3.774 -4.343 -4.969 -5.682 -6.527 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.044 -0.428 -0.860 -1.310 -1.770 -2.240 -2.724 -3.226 -3.753 -4.315 -4.929 -5.624 -6.440 -7.448 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.035 -0.421 -0.853 -1.302 -1.760 -2.228 -2.708 -3.205 -3.726 -4.280 -4.881 -5.554 -6.333 -7.284 -8.585 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.029 -0.415 -0.848 -1.296 -1.753 -2.218 -2.696 -3.190 -3.706 -4.253 -4.845 -5.502 -6.255 -7.163 -8.413 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.020 -0.408 -0.840 -1.287 -1.742 -2.205 -2.679 -3.168 -3.678 -4.217 -4.795 -5.431 -6.150 -7.002 -8.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.011 -0.401 -0.833 -1.279 -1.732 -2.192 -2.663 -3.148 -3.652 -4.182 -4.748 -5.364 -6.052 -6.852 -7.910 -7.707 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.003 -0.395 -0.826 -1.271 -1.722 -2.180 -2.647 -3.128 -3.626 -4.148 -4.703 -5.301 -5.961 -6.715 -7.684 -8.161 -8.227 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.004 -0.389 -0.820 -1.263 -1.713 -2.168 -2.632 -3.108 -3.601 -4.116 -4.660 -5.242 -5.876 -6.589 -7.477 -8.186 -8.376 -8.550 -8.845 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.011 -0.383 -0.814 -1.256 -1.704 -2.157 -2.617 -3.090 -3.577 -4.085 -4.619 -5.186 -5.797 -6.473 -7.291 -8.125 -8.355 -8.575 -8.801 -9.102 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.017 -0.378 -0.808 -1.249 -1.695 -2.146 -2.603 -3.071 -3.554 -4.055 -4.580 -5.134 -5.724 -6.367 -7.123 -8.042 -8.284 -8.523 -8.762 -9.016 -9.323 -9.744 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.023 -0.373 -0.802 -1.243 -1.687 -2.135 -2.590 -3.054 -3.532 -4.027 -4.543 -5.084 -5.657 -6.271 -6.973 -7.952 -8.197 -8.442 -8.688 -8.940 -9.209 -9.518 -9.898 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.029 -0.368 -0.797 -1.236 -1.679 -2.125 -2.576 -3.037 -3.510 -3.999 -4.508 -5.038 -5.594 -6.184 -6.840 -7.863 -8.106 -8.352 -8.599 -8.850 -9.110 -9.385 -9.692 -10.046 -10.460 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.034 -0.363 -0.792 -1.230 -1.671 -2.115 -2.564 -3.021 -3.489 -3.973 -4.474 -4.994 -5.536 -6.104 -6.722 -7.775 -8.016 -8.258 -8.504 -8.754 -9.008 -9.271 -9.549 -9.850 -10.183 -10.554 -10.965 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.038 -0.359 -0.788 -1.224 -1.664 -2.105 -2.551 -3.005 -3.469 -3.947 -4.441 -4.952 -5.482 -6.033 -6.619 -7.690 -7.927 -8.166 -8.409 -8.655 -8.905 -9.161 -9.425 -9.702 -9.996 -10.310 -10.649 -11.011 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.042 -0.356 -0.783 -1.219 -1.656 -2.096 -2.539 -2.990 -3.450 -3.923 -4.410 -4.913 -5.432 -5.967 -6.529 -7.608 -7.841 -8.076 -8.315 -8.557 -8.802 -9.053 -9.309 -9.572 -9.845 -10.130 -10.429 -10.742 -11.068 -11.402 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.046 -0.352 -0.779 -1.213 -1.650 -2.087 -2.528 -2.975 -3.431 -3.899 -4.380 -4.876 -5.385 -5.908 -6.450 -7.530 -7.758 -7.989 -8.223 -8.461 -8.702 -8.947 -9.197 -9.451 -9.712 -9.980 -10.255 -10.539 -10.831 -11.128 -11.427 99999.999 99999.999 99999.999 99999.999 99999.999 0.049 -0.349 -0.775 -1.208 -1.643 -2.078 -2.517 -2.960 -3.412 -3.876 -4.352 -4.840 -5.341 -5.854 -6.381 -7.454 -7.678 -7.905 -8.135 -8.368 -8.604 -8.844 -9.088 -9.336 -9.588 -9.845 -10.106 -10.372 -10.643 -10.916 -11.189 -11.460 -11.725 99999.999 99999.999 99999.999 0.052 -0.346 -0.772 -1.204 -1.636 -2.070 -2.506 -2.946 -3.395 -3.854 -4.324 -4.806 -5.300 -5.804 -6.319 -7.381 -7.601 -7.823 -8.049 -8.278 -8.510 -8.745 -8.984 -9.225 -9.471 -9.719 -9.971 -10.226 -10.482 -10.740 -10.997 -11.251 -11.500 -11.739 99999.999 99999.999 0.055 -0.343 -0.768 -1.199 -1.630 -2.062 -2.495 -2.933 -3.378 -3.832 -4.297 -4.774 -5.261 -5.758 -6.264 -7.310 -7.526 -7.745 -7.967 -8.191 -8.419 -8.649 -8.883 -9.119 -9.359 -9.601 -9.845 -10.091 -10.339 -10.586 -10.832 -11.075 -11.312 -11.543 -11.763 -11.969 0.057 -0.341 -0.765 -1.195 -1.624 -2.054 -2.485 -2.920 -3.361 -3.811 -4.272 -4.743 -5.224 -5.714 -6.213 -7.243 -7.455 -7.670 -7.887 -8.108 -8.331 -8.557 -8.785 -9.017 -9.251 -9.488 -9.726 -9.966 -10.206 -10.446 -10.684 -10.919 -11.150 -11.373 -11.588 -11.792 0.060 -0.331 -0.745 -1.162 -1.577 -1.989 -2.398 -2.807 -3.218 -3.632 -4.051 -4.476 -4.906 -5.341 -5.781 -6.677 -6.859 -7.042 -7.227 -7.414 -7.602 -7.792 -7.983 -8.176 -8.371 -8.568 -8.765 -8.965 -9.165 -9.366 -9.567 -9.768 -9.969 -10.169 -10.368 -10.564 0.033 -0.342 -0.743 -1.147 -1.548 -1.944 -2.335 -2.723 -3.108 -3.494 -3.881 -4.271 -4.663 -5.057 -5.453 -6.252 -6.413 -6.575 -6.737 -6.901 -7.065 -7.230 -7.397 -7.564 -7.732 -7.902 -8.073 -8.244 -8.417 -8.591 -8.766 -8.942 -9.118 -9.296 -9.473 -9.652 -0.017 -0.370 -0.756 -1.146 -1.533 -1.914 -2.289 -2.659 -3.024 -3.387 -3.748 -4.109 -4.470 -4.831 -5.193 -5.917 -6.062 -6.208 -6.354 -6.500 -6.647 -6.794 -6.942 -7.090 -7.240 -7.390 -7.540 -7.692 -7.845 -7.998 -8.152 -8.307 -8.463 -8.620 -8.778 -8.937 -0.086 -0.413 -0.781 -1.156 -1.530 -1.897 -2.257 -2.611 -2.959 -3.302 -3.641 -3.978 -4.314 -4.648 -4.981 -5.645 -5.778 -5.910 -6.043 -6.176 -6.309 -6.442 -6.576 -6.710 -6.844 -6.979 -7.115 -7.251 -7.388 -7.525 -7.663 -7.802 -7.942 -8.083 -8.224 -8.366 -0.170 -0.466 -0.816 -1.176 -1.536 -1.890 -2.237 -2.576 -2.909 -3.235 -3.556 -3.873 -4.186 -4.498 -4.807 -5.420 -5.542 -5.664 -5.786 -5.908 -6.030 -6.152 -6.274 -6.396 -6.519 -6.642 -6.765 -6.889 -7.013 -7.138 -7.263 -7.389 -7.516 -7.643 -7.772 -7.900 -0.265 -0.529 -0.859 -1.204 -1.550 -1.891 -2.226 -2.552 -2.871 -3.182 -3.487 -3.786 -4.081 -4.373 -4.661 -5.231 -5.345 -5.458 -5.570 -5.683 -5.796 -5.908 -6.021 -6.134 -6.247 -6.360 -6.473 -6.587 -6.701 -6.815 -6.930 -7.046 -7.162 -7.278 -7.396 -7.514 -0.370 -0.599 -0.909 -1.240 -1.572 -1.900 -2.222 -2.536 -2.842 -3.140 -3.431 -3.715 -3.994 -4.268 -4.539 -5.072 -5.177 -5.283 -5.388 -5.492 -5.597 -5.702 -5.806 -5.911 -6.016 -6.120 -6.225 -6.331 -6.436 -6.542 -6.648 -6.755 -6.862 -6.970 -7.079 -7.188 99999.999 -0.675 -0.966 -1.281 -1.599 -1.915 -2.225 -2.528 -2.822 -3.108 -3.386 -3.657 -3.922 -4.181 -4.436 -4.936 -5.035 -5.133 -5.231 -5.329 -5.427 -5.525 -5.622 -5.720 -5.818 -5.915 -6.013 -6.111 -6.210 -6.309 -6.408 -6.507 -6.607 -6.708 -6.809 -6.910 PrF+2 PrF+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Migdisov09 2 1.000 23 1.000 53 -3.742 -3.856 -4.083 -4.367 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.742 -3.856 -4.083 -4.367 -4.687 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.742 -3.856 -4.083 -4.367 -4.687 -5.031 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.742 -3.855 -4.083 -4.367 -4.686 -5.031 -5.397 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.741 -3.855 -4.082 -4.367 -4.686 -5.030 -5.396 -5.782 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.740 -3.855 -4.082 -4.366 -4.685 -5.030 -5.395 -5.780 -6.187 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.739 -3.854 -4.081 -4.366 -4.684 -5.028 -5.393 -5.778 -6.184 -6.616 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.738 -3.853 -4.080 -4.364 -4.683 -5.026 -5.391 -5.775 -6.179 -6.609 -7.075 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.735 -3.852 -4.079 -4.363 -4.681 -5.024 -5.387 -5.770 -6.173 -6.600 -7.063 -7.576 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.733 -3.850 -4.078 -4.361 -4.679 -5.020 -5.382 -5.764 -6.164 -6.589 -7.047 -7.552 -8.125 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.729 -3.848 -4.076 -4.359 -4.675 -5.016 -5.376 -5.756 -6.154 -6.574 -7.026 -7.521 -8.080 -8.730 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.724 -3.845 -4.073 -4.356 -4.671 -5.011 -5.369 -5.745 -6.140 -6.556 -7.000 -7.484 -8.023 -8.647 -9.417 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.721 -3.843 -4.071 -4.353 -4.668 -5.006 -5.363 -5.738 -6.130 -6.543 -6.981 -7.456 -7.982 -8.585 -9.352 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.716 -3.840 -4.068 -4.350 -4.664 -5.001 -5.356 -5.727 -6.116 -6.524 -6.955 -7.418 -7.925 -8.500 -9.229 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.712 -3.837 -4.066 -4.347 -4.660 -4.995 -5.348 -5.717 -6.103 -6.506 -6.930 -7.383 -7.873 -8.421 -9.103 -8.454 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.707 -3.834 -4.063 -4.344 -4.656 -4.990 -5.341 -5.707 -6.090 -6.488 -6.907 -7.349 -7.824 -8.347 -8.984 -9.158 -9.015 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.703 -3.832 -4.061 -4.341 -4.652 -4.984 -5.333 -5.698 -6.077 -6.472 -6.884 -7.318 -7.778 -8.279 -8.873 -9.286 -9.337 -9.323 -9.305 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.699 -3.830 -4.059 -4.338 -4.648 -4.979 -5.327 -5.689 -6.065 -6.456 -6.863 -7.288 -7.736 -8.217 -8.772 -9.308 -9.421 -9.502 -9.553 -9.604 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.696 -3.827 -4.056 -4.335 -4.645 -4.974 -5.320 -5.680 -6.053 -6.440 -6.842 -7.260 -7.697 -8.160 -8.681 -9.297 -9.434 -9.556 -9.659 -9.746 -9.838 -9.973 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.692 -3.825 -4.054 -4.333 -4.641 -4.969 -5.313 -5.671 -6.042 -6.425 -6.822 -7.234 -7.660 -8.108 -8.599 -9.272 -9.421 -9.561 -9.690 -9.808 -9.919 -10.035 -10.177 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.689 -3.823 -4.052 -4.330 -4.638 -4.965 -5.307 -5.663 -6.031 -6.411 -6.804 -7.209 -7.627 -8.060 -8.527 -9.241 -9.395 -9.545 -9.688 -9.823 -9.952 -10.078 -10.208 -10.354 -10.528 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.686 -3.821 -4.050 -4.328 -4.634 -4.960 -5.301 -5.655 -6.020 -6.397 -6.786 -7.185 -7.595 -8.018 -8.463 -9.206 -9.364 -9.518 -9.668 -9.813 -9.954 -10.090 -10.226 -10.365 -10.513 -10.678 -10.861 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.682 -3.819 -4.049 -4.326 -4.631 -4.956 -5.295 -5.647 -6.010 -6.384 -6.769 -7.163 -7.567 -7.979 -8.407 -9.171 -9.329 -9.486 -9.640 -9.791 -9.938 -10.082 -10.224 -10.365 -10.509 -10.658 -10.816 -10.984 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.680 -3.817 -4.047 -4.323 -4.628 -4.952 -5.289 -5.639 -6.000 -6.371 -6.752 -7.142 -7.540 -7.944 -8.359 -9.135 -9.293 -9.451 -9.607 -9.761 -9.912 -10.061 -10.208 -10.353 -10.498 -10.643 -10.792 -10.944 -11.101 -11.261 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.677 -3.816 -4.045 -4.321 -4.625 -4.948 -5.284 -5.632 -5.990 -6.359 -6.737 -7.123 -7.515 -7.913 -8.317 -9.099 -9.257 -9.415 -9.571 -9.727 -9.880 -10.032 -10.183 -10.331 -10.478 -10.624 -10.770 -10.917 -11.064 -11.212 -11.360 99999.999 99999.999 99999.999 99999.999 99999.999 -3.674 -3.814 -4.044 -4.319 -4.622 -4.944 -5.278 -5.625 -5.981 -6.347 -6.722 -7.104 -7.492 -7.884 -8.281 -9.064 -9.221 -9.378 -9.535 -9.691 -9.845 -9.999 -10.151 -10.302 -10.451 -10.598 -10.745 -10.890 -11.034 -11.177 -11.318 -11.456 -11.590 99999.999 99999.999 99999.999 -3.672 -3.813 -4.042 -4.317 -4.620 -4.940 -5.273 -5.618 -5.972 -6.335 -6.707 -7.086 -7.470 -7.858 -8.249 -9.029 -9.185 -9.342 -9.498 -9.654 -9.809 -9.963 -10.116 -10.268 -10.419 -10.568 -10.715 -10.861 -11.004 -11.146 -11.285 -11.420 -11.551 -11.675 99999.999 99999.999 -3.670 -3.811 -4.041 -4.315 -4.617 -4.936 -5.268 -5.611 -5.963 -6.324 -6.693 -7.069 -7.450 -7.834 -8.220 -8.995 -9.150 -9.306 -9.461 -9.616 -9.771 -9.925 -10.079 -10.231 -10.383 -10.533 -10.681 -10.828 -10.972 -11.114 -11.253 -11.388 -11.518 -11.642 -11.760 -11.870 -3.667 -3.810 -4.039 -4.313 -4.614 -4.932 -5.263 -5.604 -5.954 -6.313 -6.679 -7.052 -7.430 -7.810 -8.193 -8.962 -9.116 -9.270 -9.425 -9.579 -9.733 -9.887 -10.040 -10.193 -10.345 -10.495 -10.645 -10.792 -10.937 -11.080 -11.219 -11.355 -11.487 -11.613 -11.732 -11.845 -3.653 -3.802 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-10.207 -10.324 -10.441 -3.691 -3.829 -4.040 -4.288 -4.557 -4.837 -5.124 -5.414 -5.705 -5.996 -6.285 -6.574 -6.860 -7.146 -7.430 -7.991 -8.102 -8.213 -8.324 -8.435 -8.545 -8.655 -8.765 -8.874 -8.984 -9.093 -9.203 -9.312 -9.422 -9.531 -9.640 -9.750 -9.860 -9.969 -10.079 -10.190 -3.715 -3.846 -4.051 -4.294 -4.557 -4.832 -5.112 -5.396 -5.679 -5.962 -6.243 -6.522 -6.799 -7.073 -7.346 -7.884 -7.990 -8.097 -8.203 -8.308 -8.413 -8.518 -8.623 -8.728 -8.832 -8.936 -9.040 -9.145 -9.249 -9.352 -9.456 -9.560 -9.665 -9.769 -9.873 -9.978 -3.742 -3.865 -4.065 -4.302 -4.560 -4.829 -5.104 -5.381 -5.658 -5.934 -6.207 -6.478 -6.746 -7.012 -7.274 -7.792 -7.894 -7.996 -8.098 -8.199 -8.300 -8.401 -8.501 -8.602 -8.702 -8.801 -8.901 -9.001 -9.100 -9.200 -9.299 -9.398 -9.498 -9.597 -9.697 -9.797 99999.999 -3.886 -4.081 -4.312 -4.564 -4.828 -5.097 -5.369 -5.640 -5.910 -6.177 -6.441 -6.701 -6.958 -7.212 -7.712 -7.811 -7.909 -8.007 -8.105 -8.202 -8.299 -8.396 -8.492 -8.589 -8.685 -8.780 -8.876 -8.972 -9.067 -9.163 -9.258 -9.354 -9.449 -9.545 -9.641 NdF+2 NdF+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Migdisov09 2 1.000 23 1.000 54 -3.739 -3.819 -4.026 -4.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.739 -3.819 -4.026 -4.299 -4.613 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.739 -3.819 -4.026 -4.299 -4.613 -4.956 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.730 -3.813 -4.021 -4.293 -4.605 -4.946 -5.309 -5.693 -6.099 -6.529 -6.992 -7.502 -8.083 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.726 -3.811 -4.019 -4.291 -4.602 -4.942 -5.303 -5.686 -6.088 -6.515 -6.972 -7.473 -8.037 -8.698 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.722 -3.808 -4.017 -4.288 -4.598 -4.936 -5.296 -5.676 -6.076 -6.497 -6.947 -7.437 -7.982 -8.615 -9.411 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.718 -3.806 -4.015 -4.286 -4.596 -4.932 -5.291 -5.669 -6.066 -6.484 -6.929 -7.410 -7.942 -8.553 -9.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.714 -3.804 -4.012 -4.283 -4.592 -4.927 -5.284 -5.659 -6.052 -6.466 -6.903 -7.373 -7.887 -8.470 -9.207 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.709 -3.801 -4.010 -4.280 -4.588 -4.922 -5.276 -5.649 -6.039 -6.448 -6.879 -7.339 -7.836 -8.392 -9.081 -8.856 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.705 -3.798 -4.008 -4.277 -4.584 -4.917 -5.269 -5.640 -6.027 -6.432 -6.857 -7.306 -7.789 -8.320 -8.964 -9.320 -9.297 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.700 -3.796 -4.005 -4.274 -4.580 -4.912 -5.263 -5.631 -6.015 -6.416 -6.835 -7.276 -7.745 -8.254 -8.855 -9.391 -9.495 -9.563 -9.663 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.696 -3.794 -4.003 -4.272 -4.577 -4.907 -5.256 -5.622 -6.003 -6.400 -6.814 -7.247 -7.704 -8.193 -8.757 -9.387 -9.532 -9.659 -9.773 -9.907 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.693 -3.791 -4.001 -4.269 -4.573 -4.902 -5.250 -5.614 -5.992 -6.386 -6.795 -7.220 -7.666 -8.138 -8.668 -9.361 -9.522 -9.673 -9.815 -9.954 -10.110 -10.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.689 -3.789 -3.999 -4.267 -4.570 -4.898 -5.244 -5.605 -5.981 -6.372 -6.776 -7.195 -7.630 -8.088 -8.589 -9.326 -9.493 -9.655 -9.813 -9.966 -10.120 -10.288 -10.487 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.685 -3.787 -3.997 -4.265 -4.567 -4.893 -5.238 -5.597 -5.971 -6.358 -6.758 -7.171 -7.598 -8.042 -8.519 -9.288 -9.457 -9.624 -9.789 -9.950 -10.111 -10.274 -10.448 -10.642 -10.867 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.682 -3.785 -3.995 -4.262 -4.564 -4.889 -5.232 -5.590 -5.961 -6.345 -6.741 -7.148 -7.568 -8.000 -8.457 -9.248 -9.418 -9.587 -9.755 -9.921 -10.086 -10.251 -10.420 -10.596 -10.786 -10.994 -11.222 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.679 -3.783 -3.994 -4.260 -4.561 -4.885 -5.226 -5.582 -5.951 -6.332 -6.724 -7.127 -7.540 -7.963 -8.403 -9.209 -9.379 -9.548 -9.717 -9.885 -10.052 -10.219 -10.387 -10.558 -10.734 -10.919 -11.115 -11.323 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.676 -3.782 -3.992 -4.258 -4.558 -4.881 -5.221 -5.575 -5.941 -6.320 -6.709 -7.107 -7.514 -7.929 -8.356 -9.170 -9.339 -9.508 -9.676 -9.845 -10.013 -10.181 -10.349 -10.518 -10.690 -10.865 -11.045 -11.231 -11.423 -11.619 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.673 -3.780 -3.990 -4.256 -4.555 -4.877 -5.216 -5.568 -5.932 -6.308 -6.693 -7.088 -7.490 -7.898 -8.315 -9.133 -9.300 -9.468 -9.635 -9.803 -9.971 -10.139 -10.308 -10.476 -10.645 -10.816 -10.989 -11.164 -11.342 -11.521 -11.701 99999.999 99999.999 99999.999 99999.999 99999.999 -3.670 -3.778 -3.989 -4.254 -4.553 -4.873 -5.211 -5.561 -5.923 -6.296 -6.679 -7.070 -7.467 -7.871 -8.279 -9.096 -9.262 -9.428 -9.595 -9.762 -9.929 -10.097 -10.264 -10.432 -10.600 -10.768 -10.937 -11.107 -11.277 -11.448 -11.618 -11.785 -11.949 99999.999 99999.999 99999.999 -3.668 -3.777 -3.988 -4.252 -4.550 -4.870 -5.206 -5.554 -5.915 -6.285 -6.665 -7.052 -7.446 -7.845 -8.248 -9.060 -9.224 -9.389 -9.555 -9.720 -9.887 -10.053 -10.220 -10.387 -10.554 -10.721 -10.888 -11.054 -11.221 -11.386 -11.550 -11.712 -11.869 -12.022 99999.999 99999.999 -3.666 -3.776 -3.986 -4.250 -4.547 -4.866 -5.201 -5.548 -5.906 -6.274 -6.651 -7.036 -7.426 -7.821 -8.220 -9.025 -9.188 -9.351 -9.515 -9.680 -9.845 -10.010 -10.176 -10.342 -10.507 -10.673 -10.839 -11.003 -11.167 -11.330 -11.491 -11.649 -11.803 -11.953 -12.097 -12.233 -3.663 -3.774 -3.985 -4.249 -4.545 -4.863 -5.196 -5.542 -5.898 -6.264 -6.638 -7.020 -7.407 -7.799 -8.193 -8.992 -9.153 -9.315 -9.477 -9.640 -9.803 -9.967 -10.132 -10.296 -10.461 -10.626 -10.790 -10.953 -11.116 -11.277 -11.436 -11.592 -11.745 -11.894 -12.037 -12.173 -3.648 -3.766 -3.976 -4.235 -4.524 -4.833 -5.155 -5.487 -5.827 -6.173 -6.526 -6.883 -7.243 -7.606 -7.971 -8.704 -8.851 -8.999 -9.147 -9.295 -9.444 -9.593 -9.743 -9.893 -10.043 -10.194 -10.344 -10.495 -10.646 -10.797 -10.948 -11.097 -11.246 -11.394 -11.541 -11.686 -3.643 -3.765 -3.972 -4.227 -4.510 -4.811 -5.124 -5.445 -5.771 -6.103 -6.438 -6.776 -7.116 -7.457 -7.799 -8.483 -8.620 -8.757 -8.894 -9.031 -9.168 -9.305 -9.443 -9.581 -9.718 -9.857 -9.995 -10.134 -10.273 -10.412 -10.551 -10.690 -10.829 -10.969 -11.108 -11.247 -3.648 -3.769 -3.973 -4.223 -4.500 -4.795 -5.099 -5.411 -5.727 -6.046 -6.367 -6.690 -7.014 -7.338 -7.662 -8.307 -8.435 -8.564 -8.692 -8.820 -8.949 -9.077 -9.205 -9.334 -9.462 -9.591 -9.719 -9.848 -9.977 -10.106 -10.235 -10.364 -10.494 -10.624 -10.754 -10.884 -3.659 -3.778 -3.978 -4.223 -4.495 -4.783 -5.080 -5.384 -5.691 -6.000 -6.309 -6.620 -6.930 -7.240 -7.548 -8.162 -8.284 -8.405 -8.527 -8.648 -8.770 -8.891 -9.012 -9.132 -9.253 -9.374 -9.495 -9.616 -9.737 -9.858 -9.979 -10.100 -10.221 -10.343 -10.464 -10.586 -3.676 -3.790 -3.986 -4.226 -4.492 -4.774 -5.066 -5.362 -5.661 -5.961 -6.262 -6.561 -6.860 -7.157 -7.453 -8.040 -8.157 -8.273 -8.389 -8.504 -8.620 -8.735 -8.850 -8.965 -9.080 -9.194 -9.309 -9.423 -9.538 -9.652 -9.767 -9.881 -9.996 -10.110 -10.225 -10.340 -3.697 -3.806 -3.997 -4.232 -4.493 -4.769 -5.054 -5.345 -5.637 -5.930 -6.221 -6.512 -6.801 -7.088 -7.373 -7.937 -8.049 -8.160 -8.272 -8.382 -8.493 -8.603 -8.713 -8.823 -8.933 -9.042 -9.151 -9.261 -9.370 -9.479 -9.588 -9.697 -9.806 -9.915 -10.024 -10.134 -3.722 -3.824 -4.010 -4.240 -4.495 -4.766 -5.046 -5.331 -5.617 -5.903 -6.188 -6.470 -6.751 -7.029 -7.305 -7.849 -7.957 -8.064 -8.171 -8.278 -8.384 -8.490 -8.596 -8.701 -8.807 -8.912 -9.017 -9.122 -9.226 -9.331 -9.435 -9.540 -9.644 -9.749 -9.854 -9.958 99999.999 -3.843 -4.024 -4.250 -4.500 -4.766 -5.041 -5.320 -5.600 -5.880 -6.159 -6.434 -6.708 -6.978 -7.245 -7.773 -7.877 -7.981 -8.084 -8.187 -8.290 -8.392 -8.494 -8.596 -8.698 -8.799 -8.900 -9.002 -9.102 -9.203 -9.304 -9.405 -9.505 -9.606 -9.707 -9.808 NdCl+2 NdCl+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Migdisov09 2 1.000 3 1.000 54 -0.594 -0.712 -0.893 -1.106 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.594 -0.712 -0.893 -1.106 -1.339 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.594 -0.712 -0.893 -1.105 -1.339 -1.589 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.593 -0.711 -0.892 -1.105 -1.339 -1.588 -1.853 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.593 -0.711 -0.892 -1.105 -1.338 -1.588 -1.852 -2.132 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.592 -0.711 -0.892 -1.105 -1.338 -1.587 -1.851 -2.131 -2.428 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.591 -0.710 -0.891 -1.104 -1.337 -1.586 -1.850 -2.129 -2.426 -2.745 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.590 -0.709 -0.890 -1.103 -1.336 -1.584 -1.847 -2.126 -2.421 -2.740 -3.090 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.588 -0.708 -0.889 -1.101 -1.334 -1.582 -1.844 -2.122 -2.416 -2.732 -3.079 -3.474 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.585 -0.706 -0.888 -1.100 -1.332 -1.579 -1.840 -2.116 -2.409 -2.722 -3.065 -3.452 -3.907 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.582 -0.704 -0.886 -1.097 -1.329 -1.575 -1.835 -2.109 -2.399 -2.709 -3.047 -3.425 -3.864 -4.404 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.578 -0.702 -0.883 -1.095 -1.325 -1.570 -1.828 -2.100 -2.388 -2.693 -3.024 -3.392 -3.814 -4.322 -5.021 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.575 -0.700 -0.882 -1.093 -1.322 -1.566 -1.824 -2.094 -2.379 -2.681 -3.008 -3.368 -3.776 -4.264 -4.926 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.571 -0.697 -0.879 -1.090 -1.319 -1.561 -1.817 -2.085 -2.367 -2.665 -2.985 -3.335 -3.726 -4.185 -4.795 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.567 -0.695 -0.877 -1.087 -1.315 -1.557 -1.810 -2.076 -2.355 -2.649 -2.963 -3.304 -3.680 -4.114 -4.674 -5.007 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.563 -0.693 -0.875 -1.084 -1.312 -1.552 -1.804 -2.068 -2.344 -2.634 -2.943 -3.274 -3.637 -4.048 -4.565 -5.024 -5.173 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.560 -0.691 -0.873 -1.082 -1.308 -1.548 -1.798 -2.060 -2.333 -2.620 -2.923 -3.247 -3.598 -3.988 -4.465 -4.987 -5.140 -5.310 -5.570 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.557 -0.689 -0.871 -1.080 -1.305 -1.543 -1.792 -2.052 -2.323 -2.606 -2.905 -3.221 -3.561 -3.933 -4.376 -4.934 -5.089 -5.249 -5.429 -5.662 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.554 -0.687 -0.869 -1.078 -1.302 -1.539 -1.787 -2.044 -2.313 -2.593 -2.887 -3.197 -3.527 -3.884 -4.296 -4.880 -5.032 -5.189 -5.355 -5.538 -5.758 -6.041 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.551 -0.685 -0.868 -1.076 -1.300 -1.535 -1.781 -2.037 -2.303 -2.581 -2.871 -3.174 -3.495 -3.838 -4.225 -4.827 -4.977 -5.130 -5.289 -5.456 -5.640 -5.850 -6.101 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.549 -0.684 -0.866 -1.074 -1.297 -1.531 -1.776 -2.030 -2.294 -2.569 -2.855 -3.153 -3.466 -3.797 -4.162 -4.778 -4.923 -5.073 -5.226 -5.386 -5.554 -5.736 -5.938 -6.166 -6.428 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.546 -0.683 -0.865 -1.072 -1.294 -1.528 -1.771 -2.023 -2.285 -2.557 -2.839 -3.133 -3.439 -3.760 -4.106 -4.730 -4.873 -5.018 -5.167 -5.321 -5.481 -5.648 -5.827 -6.021 -6.233 -6.467 -6.720 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.544 -0.681 -0.864 -1.070 -1.292 -1.524 -1.766 -2.017 -2.276 -2.546 -2.825 -3.114 -3.414 -3.726 -4.057 -4.686 -4.825 -4.967 -5.112 -5.261 -5.414 -5.573 -5.739 -5.914 -6.100 -6.299 -6.512 -6.736 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.542 -0.680 -0.863 -1.069 -1.290 -1.521 -1.762 -2.011 -2.268 -2.535 -2.811 -3.096 -3.391 -3.695 -4.014 -4.643 -4.779 -4.918 -5.059 -5.204 -5.352 -5.505 -5.663 -5.826 -5.997 -6.176 -6.363 -6.559 -6.762 -6.970 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.541 -0.679 -0.862 -1.067 -1.287 -1.518 -1.757 -2.004 -2.260 -2.524 -2.797 -3.079 -3.369 -3.667 -3.977 -4.603 -4.736 -4.872 -5.010 -5.151 -5.295 -5.442 -5.594 -5.749 -5.910 -6.076 -6.248 -6.425 -6.607 -6.793 -6.981 99999.999 99999.999 99999.999 99999.999 99999.999 -0.539 -0.679 -0.861 -1.066 -1.285 -1.515 -1.753 -1.999 -2.252 -2.514 -2.785 -3.063 -3.349 -3.642 -3.944 -4.565 -4.695 -4.828 -4.963 -5.100 -5.241 -5.384 -5.530 -5.680 -5.833 -5.990 -6.152 -6.317 -6.485 -6.655 -6.827 -6.998 -7.167 99999.999 99999.999 99999.999 -0.538 -0.678 -0.860 -1.065 -1.283 -1.512 -1.749 -1.993 -2.245 -2.505 -2.772 -3.048 -3.330 -3.619 -3.915 -4.528 -4.656 -4.786 -4.918 -5.053 -5.189 -5.329 -5.471 -5.616 -5.763 -5.914 -6.068 -6.224 -6.382 -6.543 -6.703 -6.863 -7.021 -7.175 99999.999 99999.999 -0.537 -0.677 -0.859 -1.063 -1.281 -1.509 -1.745 -1.988 -2.238 -2.495 -2.761 -3.033 -3.312 -3.597 -3.888 -4.494 -4.619 -4.747 -4.876 -5.007 -5.141 -5.277 -5.415 -5.556 -5.699 -5.845 -5.992 -6.142 -6.293 -6.446 -6.598 -6.750 -6.900 -7.047 -7.190 -7.327 -0.535 -0.677 -0.859 -1.062 -1.280 -1.506 -1.741 -1.982 -2.231 -2.486 -2.749 -3.019 -3.295 -3.576 -3.864 -4.460 -4.583 -4.709 -4.835 -4.964 -5.095 -5.228 -5.363 -5.500 -5.639 -5.780 -5.923 -6.068 -6.213 -6.360 -6.507 -6.653 -6.797 -6.939 -7.076 -7.209 -0.534 -0.678 -0.858 -1.057 -1.267 -1.485 -1.709 -1.938 -2.172 -2.410 -2.652 -2.899 -3.150 -3.404 -3.662 -4.187 -4.294 -4.401 -4.510 -4.619 -4.730 -4.841 -4.953 -5.066 -5.181 -5.296 -5.412 -5.529 -5.646 -5.764 -5.883 -6.002 -6.120 -6.239 -6.357 -6.474 -0.545 -0.689 -0.865 -1.058 -1.262 -1.473 -1.688 -1.907 -2.128 -2.352 -2.579 -2.809 -3.041 -3.275 -3.510 -3.986 -4.082 -4.179 -4.276 -4.373 -4.471 -4.569 -4.668 -4.767 -4.867 -4.968 -5.069 -5.171 -5.273 -5.375 -5.479 -5.582 -5.686 -5.791 -5.895 -6.000 -0.567 -0.707 -0.878 -1.066 -1.263 -1.467 -1.675 -1.885 -2.096 -2.309 -2.523 -2.739 -2.956 -3.174 -3.392 -3.831 -3.919 -4.007 -4.096 -4.184 -4.273 -4.362 -4.452 -4.541 -4.631 -4.722 -4.812 -4.904 -4.995 -5.087 -5.179 -5.272 -5.365 -5.459 -5.553 -5.647 -0.597 -0.731 -0.896 -1.078 -1.270 -1.467 -1.668 -1.870 -2.073 -2.276 -2.480 -2.684 -2.888 -3.093 -3.297 -3.706 -3.788 -3.870 -3.951 -4.033 -4.115 -4.197 -4.280 -4.362 -4.445 -4.527 -4.611 -4.694 -4.777 -4.861 -4.945 -5.030 -5.114 -5.200 -5.285 -5.371 -0.634 -0.760 -0.918 -1.094 -1.280 -1.471 -1.665 -1.860 -2.056 -2.251 -2.446 -2.640 -2.834 -3.027 -3.220 -3.604 -3.680 -3.757 -3.833 -3.910 -3.986 -4.063 -4.139 -4.216 -4.293 -4.370 -4.447 -4.524 -4.601 -4.678 -4.756 -4.834 -4.912 -4.991 -5.069 -5.148 -0.676 -0.792 -0.945 -1.114 -1.294 -1.479 -1.667 -1.856 -2.045 -2.232 -2.419 -2.605 -2.790 -2.973 -3.156 -3.519 -3.591 -3.663 -3.735 -3.807 -3.879 -3.951 -4.023 -4.095 -4.167 -4.239 -4.311 -4.383 -4.455 -4.527 -4.600 -4.673 -4.746 -4.819 -4.892 -4.966 -0.722 -0.828 -0.974 -1.137 -1.311 -1.490 -1.672 -1.855 -2.038 -2.219 -2.399 -2.577 -2.754 -2.929 -3.103 -3.448 -3.516 -3.585 -3.653 -3.721 -3.789 -3.857 -3.925 -3.993 -4.061 -4.128 -4.196 -4.264 -4.332 -4.400 -4.469 -4.537 -4.606 -4.675 -4.744 -4.813 99999.999 -0.867 -1.005 -1.163 -1.330 -1.504 -1.680 -1.858 -2.035 -2.210 -2.384 -2.556 -2.725 -2.893 -3.060 -3.388 -3.453 -3.518 -3.583 -3.648 -3.713 -3.777 -3.842 -3.906 -3.970 -4.035 -4.099 -4.164 -4.228 -4.293 -4.358 -4.422 -4.488 -4.553 -4.618 -4.684 NdCl2+ NdCl2+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Migdisov09 2 2.000 3 1.000 54 -0.159 -0.471 -0.833 -1.217 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.159 -0.471 -0.833 -1.217 -1.614 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.159 -0.470 -0.833 -1.216 -1.614 -2.026 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.158 -0.470 -0.832 -1.216 -1.613 -2.025 -2.455 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.157 -0.469 -0.832 -1.215 -1.612 -2.024 -2.454 -2.907 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.156 -0.468 -0.831 -1.214 -1.611 -2.022 -2.451 -2.903 -3.386 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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Radius(Å) = 2.31 Alk. = 0.000 Ref: Migdisov09 2 2.000 3 1.000 56 -0.116 -0.419 -0.775 -1.152 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.116 -0.419 -0.775 -1.152 -1.543 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.115 -0.419 -0.774 -1.151 -1.543 -1.950 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.099 -0.404 -0.759 -1.134 -1.522 -1.924 -2.342 -2.783 -3.251 -3.758 -4.324 -4.978 -5.766 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.092 -0.399 -0.753 -1.127 -1.514 -1.913 -2.329 -2.766 -3.230 -3.730 -4.285 -4.921 -5.678 -6.634 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.084 -0.392 -0.745 -1.118 -1.503 -1.900 -2.313 -2.745 -3.203 -3.695 -4.236 -4.851 -5.573 -6.469 -7.733 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-5.562 -6.266 -7.144 -7.387 -7.632 -7.887 -8.168 -8.514 -8.981 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.036 -0.345 -0.693 -1.055 -1.426 -1.804 -2.191 -2.591 -3.007 -3.442 -3.900 -4.386 -4.904 -5.467 -6.118 -7.045 -7.285 -7.530 -7.780 -8.044 -8.332 -8.668 -9.081 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.032 -0.340 -0.687 -1.049 -1.418 -1.793 -2.178 -2.574 -2.985 -3.414 -3.865 -4.339 -4.842 -5.381 -5.987 -6.949 -7.184 -7.425 -7.671 -7.925 -8.193 -8.483 -8.809 -9.186 -9.626 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.028 -0.336 -0.682 -1.042 -1.409 -1.783 -2.165 -2.557 -2.964 -3.388 -3.831 -4.296 -4.784 -5.302 -5.871 -6.856 -7.086 -7.321 -7.562 -7.809 -8.065 -8.335 -8.623 -8.938 -9.288 -9.678 -10.109 99999.999 99999.999 99999.999 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-6.948 -7.166 -7.388 -7.615 -7.847 -8.085 -8.328 -8.577 -8.833 -9.096 -9.365 -9.639 -9.918 -10.199 -10.477 -10.751 99999.999 99999.999 99999.999 -0.017 -0.320 -0.661 -1.014 -1.373 -1.736 -2.105 -2.481 -2.868 -3.268 -3.682 -4.109 -4.550 -5.004 -5.472 -6.450 -6.655 -6.864 -7.077 -7.294 -7.515 -7.741 -7.971 -8.206 -8.447 -8.692 -8.942 -9.196 -9.454 -9.714 -9.975 -10.234 -10.488 -10.735 99999.999 99999.999 -0.016 -0.318 -0.658 -1.009 -1.366 -1.728 -2.094 -2.467 -2.851 -3.246 -3.655 -4.077 -4.511 -4.958 -5.417 -6.378 -6.579 -6.784 -6.992 -7.204 -7.419 -7.639 -7.863 -8.092 -8.324 -8.561 -8.801 -9.044 -9.290 -9.537 -9.785 -10.030 -10.271 -10.505 -10.730 -10.943 -0.015 -0.316 -0.654 -1.005 -1.360 -1.719 -2.083 -2.454 -2.834 -3.225 -3.629 -4.045 -4.474 -4.914 -5.365 -6.310 -6.507 -6.707 -6.910 -7.117 -7.328 -7.542 -7.761 -7.983 -8.209 -8.438 -8.670 -8.905 -9.142 -9.379 -9.616 -9.851 -10.083 -10.309 -10.526 -10.734 -0.029 -0.311 -0.635 -0.971 -1.310 -1.651 -1.994 -2.339 -2.689 -3.045 -3.408 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-2.912 -3.177 -3.441 -3.705 -3.968 -4.494 -4.600 -4.705 -4.811 -4.917 -5.023 -5.129 -5.236 -5.343 -5.451 -5.559 -5.667 -5.776 -5.886 -5.996 -6.108 -6.220 -6.332 -6.446 -6.560 -6.676 -0.451 -0.548 -0.764 -1.016 -1.281 -1.548 -1.814 -2.077 -2.336 -2.591 -2.842 -3.091 -3.336 -3.581 -3.824 -4.308 -4.404 -4.501 -4.598 -4.695 -4.792 -4.889 -4.986 -5.084 -5.182 -5.280 -5.378 -5.478 -5.577 -5.678 -5.778 -5.880 -5.982 -6.085 -6.189 -6.293 -0.578 -0.628 -0.819 -1.054 -1.303 -1.557 -1.811 -2.061 -2.307 -2.549 -2.786 -3.020 -3.250 -3.477 -3.703 -4.150 -4.239 -4.328 -4.417 -4.506 -4.595 -4.685 -4.774 -4.864 -4.954 -5.044 -5.134 -5.225 -5.316 -5.408 -5.501 -5.594 -5.687 -5.781 -5.876 -5.972 99999.999 -0.714 -0.881 -1.097 -1.332 -1.572 -1.814 -2.052 -2.287 -2.517 -2.741 -2.961 -3.177 -3.390 -3.600 -4.016 -4.098 -4.181 -4.263 -4.345 -4.428 -4.510 -4.593 -4.676 -4.758 -4.842 -4.925 -5.009 -5.093 -5.178 -5.263 -5.349 -5.436 -5.523 -5.611 -5.699 EuF+2 EuF+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Migdisov09 2 1.000 23 1.000 57 -4.155 -4.259 -4.424 -4.619 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.155 -4.259 -4.424 -4.619 -4.832 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.155 -4.259 -4.424 -4.619 -4.832 -5.061 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.153 -4.257 -4.422 -4.617 -4.830 -5.058 -5.301 -5.560 -5.838 -6.141 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.152 -4.256 -4.421 -4.615 -4.828 -5.056 -5.298 -5.556 -5.833 -6.134 -6.471 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.150 -4.255 -4.420 -4.614 -4.826 -5.053 -5.294 -5.551 -5.826 -6.125 -6.458 -6.843 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.148 -4.253 -4.418 -4.611 -4.823 -5.049 -5.289 -5.544 -5.818 -6.113 -6.442 -6.818 -7.265 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.145 -4.251 -4.416 -4.609 -4.819 -5.044 -5.283 -5.536 -5.806 -6.099 -6.421 -6.788 -7.219 -7.746 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.141 -4.248 -4.413 -4.605 -4.815 -5.038 -5.275 -5.526 -5.793 -6.080 -6.396 -6.751 -7.163 -7.662 -8.322 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.139 -4.246 -4.410 -4.602 -4.811 -5.033 -5.269 -5.518 -5.782 -6.066 -6.376 -6.723 -7.122 -7.600 -8.248 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.135 -4.243 -4.407 -4.598 -4.806 -5.027 -5.260 -5.506 -5.768 -6.047 -6.350 -6.685 -7.066 -7.515 -8.121 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.132 -4.240 -4.404 -4.595 -4.801 -5.021 -5.252 -5.496 -5.754 -6.029 -6.325 -6.650 -7.013 -7.436 -7.995 -7.405 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.129 -4.238 -4.402 -4.591 -4.797 -5.015 -5.244 -5.485 -5.740 -6.011 -6.301 -6.616 -6.965 -7.363 -7.876 -7.931 -7.827 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.126 -4.235 -4.399 -4.588 -4.792 -5.009 -5.236 -5.475 -5.727 -5.994 -6.278 -6.585 -6.919 -7.296 -7.766 -8.017 -8.057 -8.054 -8.074 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.123 -4.233 -4.396 -4.585 -4.788 -5.003 -5.229 -5.466 -5.715 -5.978 -6.257 -6.555 -6.877 -7.234 -7.666 -8.019 -8.106 -8.171 -8.219 -8.283 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.121 -4.231 -4.394 -4.581 -4.784 -4.998 -5.222 -5.456 -5.703 -5.962 -6.236 -6.527 -6.838 -7.177 -7.576 -7.996 -8.101 -8.195 -8.278 -8.355 -8.445 -8.586 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.119 -4.229 -4.391 -4.578 -4.780 -4.992 -5.215 -5.447 -5.691 -5.947 -6.216 -6.501 -6.802 -7.126 -7.496 -7.963 -8.075 -8.183 -8.284 -8.379 -8.473 -8.579 -8.716 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.117 -4.227 -4.389 -4.575 -4.776 -4.987 -5.208 -5.438 -5.679 -5.932 -6.197 -6.476 -6.768 -7.079 -7.424 -7.926 -8.042 -8.155 -8.265 -8.371 -8.474 -8.580 -8.694 -8.829 -8.992 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.115 -4.226 -4.387 -4.573 -4.772 -4.982 -5.201 -5.430 -5.668 -5.918 -6.179 -6.452 -6.737 -7.037 -7.361 -7.887 -8.004 -8.120 -8.234 -8.346 -8.456 -8.565 -8.677 -8.796 -8.928 -9.078 -9.248 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.113 -4.224 -4.385 -4.570 -4.769 -4.977 -5.195 -5.421 -5.658 -5.904 -6.162 -6.430 -6.708 -6.998 -7.306 -7.848 -7.965 -8.082 -8.197 -8.312 -8.426 -8.539 -8.652 -8.768 -8.889 -9.017 -9.157 -9.308 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.112 -4.222 -4.383 -4.567 -4.765 -4.973 -5.189 -5.413 -5.647 -5.891 -6.145 -6.409 -6.682 -6.963 -7.258 -7.810 -7.926 -8.042 -8.158 -8.274 -8.390 -8.505 -8.619 -8.735 -8.852 -8.973 -9.098 -9.229 -9.366 -9.507 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.110 -4.221 -4.381 -4.565 -4.762 -4.968 -5.183 -5.406 -5.637 -5.879 -6.129 -6.389 -6.657 -6.932 -7.216 -7.772 -7.887 -8.003 -8.118 -8.234 -8.350 -8.466 -8.582 -8.697 -8.814 -8.931 -9.050 -9.172 -9.296 -9.422 -9.548 99999.999 99999.999 99999.999 99999.999 99999.999 -4.109 -4.220 -4.380 -4.562 -4.758 -4.964 -5.177 -5.398 -5.628 -5.866 -6.114 -6.370 -6.633 -6.903 -7.180 -7.735 -7.849 -7.963 -8.078 -8.194 -8.309 -8.425 -8.541 -8.657 -8.773 -8.889 -9.005 -9.123 -9.240 -9.358 -9.475 -9.590 -9.701 99999.999 99999.999 99999.999 -4.108 -4.219 -4.378 -4.560 -4.755 -4.959 -5.171 -5.390 -5.618 -5.854 -6.099 -6.352 -6.611 -6.877 -7.147 -7.699 -7.811 -7.924 -8.038 -8.153 -8.268 -8.383 -8.498 -8.614 -8.730 -8.845 -8.960 -9.075 -9.190 -9.304 -9.416 -9.525 -9.631 -9.732 99999.999 99999.999 -4.108 -4.218 -4.377 -4.558 -4.752 -4.955 -5.165 -5.383 -5.609 -5.843 -6.085 -6.334 -6.591 -6.852 -7.118 -7.663 -7.775 -7.887 -7.999 -8.112 -8.226 -8.341 -8.455 -8.570 -8.685 -8.800 -8.915 -9.029 -9.142 -9.253 -9.363 -9.470 -9.574 -9.673 -9.765 -9.851 -4.107 -4.217 -4.375 -4.556 -4.749 -4.951 -5.160 -5.376 -5.600 -5.831 -6.071 -6.318 -6.571 -6.829 -7.091 -7.629 -7.739 -7.850 -7.961 -8.073 -8.185 -8.299 -8.412 -8.526 -8.641 -8.755 -8.869 -8.982 -9.094 -9.205 -9.313 -9.419 -9.522 -9.620 -9.713 -9.800 -4.109 -4.213 -4.365 -4.539 -4.724 -4.916 -5.113 -5.315 -5.522 -5.734 -5.951 -6.173 -6.400 -6.630 -6.862 -7.336 -7.433 -7.530 -7.627 -7.725 -7.824 -7.924 -8.024 -8.125 -8.226 -8.328 -8.431 -8.534 -8.637 -8.740 -8.843 -8.946 -9.048 -9.149 -9.250 -9.349 -4.124 -4.218 -4.363 -4.529 -4.706 -4.889 -5.077 -5.267 -5.461 -5.657 -5.857 -6.060 -6.266 -6.474 -6.685 -7.110 -7.196 -7.282 -7.369 -7.456 -7.543 -7.631 -7.720 -7.809 -7.898 -7.988 -8.079 -8.170 -8.261 -8.353 -8.446 -8.539 -8.632 -8.726 -8.819 -8.913 -4.149 -4.230 -4.366 -4.524 -4.694 -4.869 -5.048 -5.229 -5.412 -5.596 -5.781 -5.969 -6.159 -6.349 -6.541 -6.928 -7.006 -7.084 -7.162 -7.240 -7.319 -7.398 -7.477 -7.557 -7.637 -7.718 -7.798 -7.880 -7.962 -8.044 -8.127 -8.210 -8.294 -8.378 -8.463 -8.548 -4.183 -4.248 -4.374 -4.525 -4.687 -4.855 -5.026 -5.198 -5.372 -5.545 -5.719 -5.894 -6.070 -6.246 -6.423 -6.778 -6.849 -6.921 -6.992 -7.063 -7.135 -7.207 -7.279 -7.351 -7.424 -7.497 -7.570 -7.643 -7.717 -7.792 -7.866 -7.941 -8.017 -8.093 -8.170 -8.247 -4.222 -4.270 -4.386 -4.529 -4.684 -4.845 -5.009 -5.174 -5.339 -5.503 -5.668 -5.832 -5.996 -6.160 -6.324 -6.653 -6.718 -6.784 -6.849 -6.915 -6.981 -7.047 -7.113 -7.179 -7.246 -7.312 -7.379 -7.446 -7.514 -7.582 -7.650 -7.718 -7.787 -7.857 -7.926 -7.997 -4.267 -4.296 -4.402 -4.536 -4.684 -4.838 -4.996 -5.154 -5.312 -5.468 -5.624 -5.779 -5.933 -6.087 -6.240 -6.546 -6.607 -6.667 -6.728 -6.789 -6.850 -6.911 -6.972 -7.033 -7.095 -7.156 -7.218 -7.280 -7.342 -7.404 -7.467 -7.530 -7.594 -7.657 -7.722 -7.786 -4.316 -4.325 -4.420 -4.546 -4.687 -4.835 -4.986 -5.138 -5.289 -5.439 -5.588 -5.734 -5.880 -6.025 -6.168 -6.454 -6.511 -6.567 -6.624 -6.681 -6.738 -6.795 -6.851 -6.908 -6.965 -7.022 -7.080 -7.137 -7.195 -7.253 -7.311 -7.370 -7.428 -7.488 -7.547 -7.607 99999.999 -4.356 -4.440 -4.559 -4.693 -4.834 -4.979 -5.125 -5.271 -5.414 -5.556 -5.696 -5.834 -5.971 -6.106 -6.374 -6.428 -6.481 -6.534 -6.587 -6.640 -6.693 -6.747 -6.800 -6.853 -6.907 -6.960 -7.014 -7.068 -7.122 -7.176 -7.231 -7.286 -7.341 -7.397 -7.453 EuCl+2 EuCl+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Migdisov09 2 1.000 3 1.000 57 -0.628 -0.690 -0.835 -1.026 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.628 -0.690 -0.835 -1.026 -1.246 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.628 -0.690 -0.835 -1.025 -1.246 -1.489 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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Radius(Å) = 2.75 Alk. = 0.000 Ref: Migdisov09 2 1.000 23 1.000 58 -4.139 -4.229 -4.382 -4.564 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.139 -4.229 -4.382 -4.564 -4.765 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.139 -4.229 -4.381 -4.564 -4.765 -4.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-7.886 -7.995 -8.104 -8.212 -8.320 -8.427 -8.532 -8.637 -8.742 -8.846 -8.950 -9.053 -9.154 -9.253 -9.348 99999.999 99999.999 99999.999 -4.091 -4.188 -4.334 -4.503 -4.686 -4.878 -5.079 -5.289 -5.507 -5.734 -5.971 -6.216 -6.468 -6.726 -6.989 -7.522 -7.630 -7.739 -7.848 -7.957 -8.066 -8.174 -8.283 -8.390 -8.497 -8.603 -8.708 -8.812 -8.914 -9.015 -9.114 -9.210 -9.301 -9.387 99999.999 99999.999 -4.090 -4.187 -4.332 -4.501 -4.683 -4.874 -5.074 -5.281 -5.497 -5.723 -5.956 -6.198 -6.447 -6.701 -6.960 -7.487 -7.594 -7.702 -7.810 -7.918 -8.027 -8.135 -8.243 -8.351 -8.459 -8.565 -8.671 -8.775 -8.878 -8.978 -9.076 -9.171 -9.262 -9.347 -9.427 -9.498 -4.089 -4.186 -4.331 -4.499 -4.679 -4.870 -5.068 -5.274 -5.488 -5.711 -5.942 -6.181 -6.427 -6.678 -6.933 -7.453 -7.559 -7.666 -7.773 -7.880 -7.988 -8.096 -8.204 -8.311 -8.419 -8.526 -8.631 -8.736 -8.839 -8.940 -9.039 -9.134 -9.225 -9.312 -9.393 -9.467 -4.091 -4.182 -4.321 -4.481 -4.653 -4.834 -5.020 -5.211 -5.408 -5.611 -5.820 -6.034 -6.253 -6.475 -6.701 -7.160 -7.254 -7.348 -7.442 -7.537 -7.633 -7.729 -7.826 -7.924 -8.022 -8.120 -8.219 -8.318 -8.418 -8.517 -8.616 -8.714 -8.812 -8.909 -9.005 -9.099 -4.106 -4.187 -4.317 -4.470 -4.635 -4.806 -4.982 -5.162 -5.346 -5.533 -5.724 -5.918 -6.116 -6.317 -6.520 -6.931 -7.015 -7.098 -7.182 -7.266 -7.351 -7.436 -7.522 -7.608 -7.695 -7.782 -7.870 -7.959 -8.048 -8.137 -8.227 -8.317 -8.407 -8.498 -8.589 -8.680 -4.131 -4.198 -4.320 -4.465 -4.622 -4.786 -4.953 -5.123 -5.295 -5.470 -5.646 -5.825 -6.007 -6.190 -6.374 -6.747 -6.822 -6.897 -6.973 -7.048 -7.124 -7.201 -7.278 -7.355 -7.432 -7.510 -7.589 -7.668 -7.747 -7.827 -7.907 -7.988 -8.070 -8.151 -8.234 -8.317 -4.164 -4.216 -4.328 -4.465 -4.614 -4.770 -4.930 -5.091 -5.254 -5.418 -5.583 -5.749 -5.916 -6.084 -6.254 -6.594 -6.663 -6.731 -6.800 -6.869 -6.938 -7.007 -7.076 -7.146 -7.216 -7.287 -7.357 -7.429 -7.500 -7.572 -7.645 -7.717 -7.791 -7.865 -7.939 -8.014 -4.203 -4.238 -4.340 -4.469 -4.611 -4.760 -4.912 -5.066 -5.220 -5.375 -5.530 -5.685 -5.840 -5.996 -6.152 -6.466 -6.529 -6.592 -6.655 -6.718 -6.781 -6.844 -6.908 -6.971 -7.035 -7.100 -7.164 -7.229 -7.294 -7.359 -7.425 -7.492 -7.558 -7.626 -7.693 -7.761 -4.248 -4.263 -4.355 -4.476 -4.611 -4.753 -4.898 -5.045 -5.192 -5.339 -5.485 -5.631 -5.776 -5.921 -6.066 -6.357 -6.415 -6.473 -6.531 -6.589 -6.647 -6.706 -6.764 -6.823 -6.882 -6.941 -7.000 -7.059 -7.119 -7.179 -7.240 -7.300 -7.362 -7.423 -7.485 -7.548 -4.296 -4.292 -4.373 -4.486 -4.613 -4.749 -4.888 -5.028 -5.169 -5.309 -5.447 -5.585 -5.721 -5.857 -5.993 -6.263 -6.317 -6.371 -6.425 -6.479 -6.533 -6.587 -6.641 -6.695 -6.750 -6.804 -6.859 -6.914 -6.969 -7.025 -7.081 -7.137 -7.194 -7.250 -7.308 -7.366 99999.999 -4.323 -4.393 -4.498 -4.619 -4.748 -4.881 -5.015 -5.150 -5.283 -5.415 -5.545 -5.674 -5.802 -5.929 -6.181 -6.232 -6.282 -6.332 -6.383 -6.433 -6.483 -6.534 -6.584 -6.635 -6.686 -6.737 -6.788 -6.840 -6.891 -6.943 -6.996 -7.048 -7.101 -7.155 -7.209 GdCl+2 GdCl+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Migdisov09 2 1.000 3 1.000 58 -0.687 -0.712 -0.827 -0.994 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.687 -0.712 -0.827 -0.994 -1.194 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.687 -0.712 -0.827 -0.994 -1.194 -1.420 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.686 -0.711 -0.827 -0.993 -1.193 -1.419 -1.668 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.686 -0.711 -0.827 -0.993 -1.193 -1.419 -1.668 -1.938 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.685 -0.711 -0.826 -0.992 -1.192 -1.418 -1.666 -1.937 -2.229 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.685 -0.710 -0.826 -0.991 -1.191 -1.417 -1.665 -1.934 -2.226 -2.545 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.683 -0.709 -0.825 -0.990 -1.189 -1.415 -1.662 -1.931 -2.222 -2.539 -2.892 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.682 -0.708 -0.823 -0.988 -1.187 -1.412 -1.658 -1.926 -2.216 -2.531 -2.880 -3.280 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.680 -0.706 -0.821 -0.986 -1.184 -1.408 -1.654 -1.920 -2.208 -2.520 -2.866 -3.258 -3.719 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.677 -0.704 -0.819 -0.983 -1.181 -1.404 -1.648 -1.912 -2.198 -2.507 -2.847 -3.230 -3.676 -4.223 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.674 -0.701 -0.816 -0.980 -1.176 -1.398 -1.640 -1.903 -2.185 -2.490 -2.823 -3.196 -3.624 -4.141 -4.846 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.672 -0.699 -0.813 -0.977 -1.173 -1.393 -1.635 -1.895 -2.175 -2.477 -2.806 -3.171 -3.586 -4.082 -4.753 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.669 -0.696 -0.810 -0.973 -1.168 -1.387 -1.627 -1.885 -2.162 -2.460 -2.782 -3.136 -3.535 -4.002 -4.621 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.666 -0.694 -0.808 -0.970 -1.164 -1.381 -1.619 -1.875 -2.149 -2.443 -2.759 -3.104 -3.488 -3.930 -4.500 -4.795 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.664 -0.691 -0.805 -0.966 -1.159 -1.376 -1.612 -1.866 -2.137 -2.427 -2.738 -3.074 -3.444 -3.863 -4.389 -4.848 -4.984 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.662 -0.689 -0.802 -0.963 -1.155 -1.370 -1.605 -1.857 -2.126 -2.412 -2.717 -3.046 -3.403 -3.802 -4.289 -4.818 -4.968 -5.132 -5.380 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.660 -0.687 -0.800 -0.960 -1.151 -1.365 -1.598 -1.848 -2.114 -2.397 -2.698 -3.019 -3.365 -3.746 -4.199 -4.768 -4.924 -5.083 -5.259 -5.486 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.658 -0.686 -0.798 -0.957 -1.147 -1.360 -1.592 -1.840 -2.103 -2.383 -2.679 -2.994 -3.330 -3.695 -4.118 -4.716 -4.870 -5.029 -5.194 -5.375 -5.591 -5.870 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.657 -0.684 -0.796 -0.954 -1.144 -1.355 -1.585 -1.831 -2.093 -2.369 -2.661 -2.970 -3.297 -3.649 -4.045 -4.664 -4.816 -4.972 -5.132 -5.301 -5.483 -5.692 -5.940 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.655 -0.683 -0.794 -0.952 -1.140 -1.351 -1.579 -1.823 -2.083 -2.356 -2.644 -2.948 -3.267 -3.607 -3.981 -4.615 -4.764 -4.916 -5.072 -5.234 -5.404 -5.586 -5.787 -6.015 -6.274 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.655 -0.681 -0.792 -0.949 -1.137 -1.346 -1.573 -1.816 -2.073 -2.344 -2.628 -2.927 -3.239 -3.568 -3.924 -4.568 -4.714 -4.863 -5.015 -5.172 -5.334 -5.503 -5.683 -5.877 -6.089 -6.322 -6.575 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.654 -0.680 -0.791 -0.947 -1.134 -1.342 -1.568 -1.808 -2.063 -2.332 -2.613 -2.907 -3.213 -3.534 -3.874 -4.523 -4.666 -4.811 -4.960 -5.113 -5.269 -5.431 -5.599 -5.776 -5.963 -6.163 -6.376 -6.601 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.653 -0.680 -0.789 -0.945 -1.131 -1.338 -1.562 -1.801 -2.054 -2.320 -2.598 -2.888 -3.189 -3.502 -3.831 -4.480 -4.620 -4.763 -4.908 -5.057 -5.209 -5.364 -5.525 -5.691 -5.864 -6.045 -6.234 -6.431 -6.635 -6.844 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.653 -0.679 -0.788 -0.943 -1.128 -1.334 -1.557 -1.794 -2.045 -2.309 -2.584 -2.870 -3.167 -3.474 -3.792 -4.440 -4.577 -4.717 -4.859 -5.004 -5.152 -5.303 -5.458 -5.617 -5.780 -5.949 -6.123 -6.302 -6.487 -6.674 -6.863 99999.999 99999.999 99999.999 99999.999 99999.999 -0.653 -0.678 -0.787 -0.941 -1.125 -1.330 -1.552 -1.788 -2.037 -2.298 -2.570 -2.853 -3.146 -3.447 -3.759 -4.401 -4.536 -4.673 -4.812 -4.954 -5.098 -5.245 -5.395 -5.549 -5.706 -5.866 -6.030 -6.198 -6.369 -6.542 -6.716 -6.889 -7.060 99999.999 99999.999 99999.999 -0.653 -0.678 -0.785 -0.939 -1.122 -1.326 -1.547 -1.781 -2.028 -2.287 -2.557 -2.837 -3.126 -3.423 -3.729 -4.364 -4.496 -4.631 -4.767 -4.906 -5.047 -5.191 -5.337 -5.486 -5.637 -5.792 -5.949 -6.108 -6.270 -6.433 -6.597 -6.759 -6.920 -7.076 99999.999 99999.999 -0.653 -0.677 -0.785 -0.937 -1.120 -1.323 -1.542 -1.775 -2.020 -2.277 -2.544 -2.822 -3.107 -3.401 -3.702 -4.329 -4.459 -4.591 -4.725 -4.861 -4.999 -5.139 -5.282 -5.427 -5.574 -5.724 -5.875 -6.029 -6.184 -6.339 -6.495 -6.650 -6.803 -6.953 -7.099 -7.238 -0.654 -0.677 -0.784 -0.936 -1.117 -1.319 -1.537 -1.769 -2.012 -2.267 -2.532 -2.807 -3.089 -3.379 -3.677 -4.295 -4.423 -4.552 -4.684 -4.817 -4.953 -5.090 -5.229 -5.371 -5.515 -5.660 -5.807 -5.956 -6.106 -6.256 -6.406 -6.556 -6.703 -6.848 -6.989 -7.126 -0.668 -0.682 -0.781 -0.926 -1.099 -1.292 -1.499 -1.718 -1.946 -2.183 -2.428 -2.680 -2.938 -3.200 -3.468 -4.015 -4.127 -4.240 -4.354 -4.468 -4.584 -4.700 -4.818 -4.936 -5.056 -5.177 -5.298 -5.420 -5.543 -5.667 -5.791 -5.915 -6.039 -6.163 -6.286 -6.409 -0.698 -0.698 -0.788 -0.925 -1.090 -1.274 -1.472 -1.680 -1.897 -2.120 -2.349 -2.583 -2.822 -3.065 -3.310 -3.809 -3.911 -4.012 -4.114 -4.217 -4.320 -4.424 -4.528 -4.633 -4.739 -4.845 -4.951 -5.059 -5.167 -5.275 -5.384 -5.494 -5.604 -5.714 -5.825 -5.935 -0.739 -0.723 -0.802 -0.930 -1.088 -1.265 -1.454 -1.653 -1.859 -2.071 -2.287 -2.508 -2.732 -2.958 -3.187 -3.649 -3.742 -3.835 -3.929 -4.023 -4.117 -4.212 -4.307 -4.402 -4.498 -4.594 -4.691 -4.788 -4.885 -4.983 -5.081 -5.180 -5.279 -5.379 -5.479 -5.579 -0.790 -0.754 -0.822 -0.942 -1.092 -1.261 -1.443 -1.634 -1.831 -2.033 -2.239 -2.448 -2.659 -2.872 -3.087 -3.519 -3.606 -3.693 -3.780 -3.868 -3.955 -4.043 -4.131 -4.219 -4.307 -4.396 -4.484 -4.574 -4.663 -4.753 -4.843 -4.934 -5.024 -5.116 -5.207 -5.299 -0.848 -0.792 -0.848 -0.958 -1.101 -1.263 -1.437 -1.621 -1.811 -2.004 -2.201 -2.400 -2.600 -2.802 -3.005 -3.413 -3.494 -3.576 -3.658 -3.740 -3.822 -3.904 -3.986 -4.068 -4.151 -4.234 -4.316 -4.399 -4.483 -4.566 -4.650 -4.734 -4.818 -4.903 -4.988 -5.073 -0.913 -0.834 -0.878 -0.979 -1.113 -1.268 -1.437 -1.613 -1.796 -1.982 -2.171 -2.361 -2.552 -2.745 -2.938 -3.324 -3.401 -3.479 -3.556 -3.633 -3.711 -3.788 -3.866 -3.943 -4.021 -4.099 -4.177 -4.255 -4.333 -4.411 -4.490 -4.569 -4.648 -4.727 -4.807 -4.887 -0.982 -0.880 -0.911 -1.003 -1.130 -1.278 -1.440 -1.610 -1.786 -1.966 -2.147 -2.330 -2.513 -2.697 -2.881 -3.249 -3.323 -3.396 -3.470 -3.544 -3.617 -3.691 -3.764 -3.838 -3.911 -3.985 -4.059 -4.133 -4.207 -4.281 -4.356 -4.430 -4.505 -4.580 -4.655 -4.731 99999.999 -0.929 -0.948 -1.031 -1.149 -1.291 -1.446 -1.610 -1.780 -1.954 -2.129 -2.305 -2.481 -2.658 -2.834 -3.186 -3.257 -3.327 -3.397 -3.467 -3.537 -3.607 -3.678 -3.748 -3.818 -3.888 -3.959 -4.029 -4.100 -4.170 -4.241 -4.312 -4.383 -4.455 -4.526 -4.598 GdCl2+ GdCl2+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Migdisov09 2 2.000 3 1.000 58 -0.306 -0.463 -0.731 -1.059 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.306 -0.463 -0.731 -1.059 -1.427 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.306 -0.463 -0.731 -1.058 -1.426 -1.828 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.301 -0.459 -0.727 -1.053 -1.420 -1.820 -2.253 -2.718 -3.222 -3.775 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.298 -0.456 -0.724 -1.050 -1.417 -1.816 -2.247 -2.711 -3.213 -3.763 -4.381 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.294 -0.452 -0.720 -1.046 -1.412 -1.810 -2.239 -2.701 -3.200 -3.746 -4.357 -5.066 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.289 -0.448 -0.715 -1.040 -1.405 -1.801 -2.229 -2.688 -3.183 -3.723 -4.326 -5.020 -5.851 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.282 -0.442 -0.709 -1.033 -1.396 -1.791 -2.216 -2.671 -3.162 -3.695 -4.287 -4.963 -5.764 -6.766 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.274 -0.434 -0.701 -1.024 -1.386 -1.778 -2.199 -2.650 -3.135 -3.660 -4.239 -4.894 -5.659 -6.601 -7.914 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.268 -0.429 -0.695 -1.018 -1.377 -1.768 -2.187 -2.635 -3.115 -3.634 -4.203 -4.842 -5.582 -6.481 -7.729 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.260 -0.421 -0.687 -1.008 -1.366 -1.754 -2.169 -2.613 -3.087 -3.597 -4.153 -4.772 -5.478 -6.321 -7.466 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.252 -0.414 -0.680 -0.999 -1.355 -1.741 -2.152 -2.591 -3.060 -3.562 -4.107 -4.706 -5.382 -6.173 -7.222 -7.502 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.245 -0.408 -0.672 -0.991 -1.345 -1.728 -2.136 -2.571 -3.034 -3.528 -4.062 -4.644 -5.292 -6.038 -6.999 -7.678 -7.879 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.239 -0.402 -0.665 -0.982 -1.335 -1.715 -2.120 -2.551 -3.009 -3.496 -4.019 -4.586 -5.209 -5.914 -6.796 -7.634 -7.884 -8.151 -8.577 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.233 -0.396 -0.659 -0.974 -1.325 -1.703 -2.105 -2.532 -2.984 -3.465 -3.979 -4.531 -5.132 -5.801 -6.613 -7.542 -7.807 -8.077 -8.374 -8.768 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.228 -0.390 -0.652 -0.967 -1.316 -1.691 -2.091 -2.513 -2.961 -3.436 -3.940 -4.479 -5.060 -5.697 -6.449 -7.440 -7.707 -7.979 -8.262 -8.573 -8.951 -9.452 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.223 -0.385 -0.646 -0.960 -1.307 -1.680 -2.076 -2.496 -2.938 -3.407 -3.903 -4.430 -4.993 -5.603 -6.302 -7.339 -7.602 -7.871 -8.148 -8.438 -8.755 -9.121 -9.565 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.219 -0.380 -0.641 -0.953 -1.298 -1.669 -2.063 -2.478 -2.917 -3.379 -3.868 -4.384 -4.931 -5.517 -6.172 -7.241 -7.499 -7.763 -8.033 -8.313 -8.607 -8.925 -9.279 -9.686 -10.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.215 -0.376 -0.635 -0.946 -1.290 -1.658 -2.049 -2.461 -2.896 -3.353 -3.834 -4.341 -4.874 -5.439 -6.056 -7.148 -7.400 -7.658 -7.922 -8.193 -8.474 -8.769 -9.084 -9.426 -9.804 -10.223 -10.682 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.211 -0.372 -0.630 -0.939 -1.282 -1.648 -2.036 -2.445 -2.875 -3.327 -3.802 -4.299 -4.820 -5.368 -5.955 -7.058 -7.305 -7.557 -7.814 -8.078 -8.350 -8.631 -8.924 -9.234 -9.564 -9.918 -10.299 -10.704 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.208 -0.368 -0.625 -0.933 -1.274 -1.638 -2.024 -2.429 -2.855 -3.302 -3.771 -4.260 -4.771 -5.303 -5.866 -6.973 -7.214 -7.460 -7.712 -7.968 -8.232 -8.503 -8.782 -9.072 -9.375 -9.693 -10.027 -10.377 -10.742 -11.115 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.206 -0.365 -0.621 -0.928 -1.266 -1.629 -2.012 -2.414 -2.836 -3.278 -3.741 -4.223 -4.724 -5.245 -5.788 -6.891 -7.128 -7.368 -7.613 -7.864 -8.120 -8.382 -8.651 -8.928 -9.214 -9.509 -9.815 -10.131 -10.456 -10.788 -11.123 99999.999 99999.999 99999.999 99999.999 99999.999 -0.204 -0.362 -0.617 -0.922 -1.259 -1.620 -2.000 -2.399 -2.818 -3.255 -3.712 -4.188 -4.681 -5.191 -5.719 -6.814 -7.045 -7.280 -7.520 -7.764 -8.014 -8.269 -8.529 -8.796 -9.069 -9.349 -9.636 -9.930 -10.230 -10.534 -10.839 -11.144 -11.442 99999.999 99999.999 99999.999 -0.202 -0.359 -0.613 -0.917 -1.252 -1.611 -1.989 -2.385 -2.799 -3.233 -3.685 -4.154 -4.640 -5.141 -5.658 -6.739 -6.965 -7.196 -7.430 -7.669 -7.913 -8.161 -8.414 -8.672 -8.936 -9.204 -9.478 -9.757 -10.039 -10.324 -10.609 -10.893 -11.173 -11.444 99999.999 99999.999 -0.201 -0.356 -0.609 -0.912 -1.245 -1.602 -1.978 -2.371 -2.782 -3.211 -3.658 -4.122 -4.601 -5.095 -5.603 -6.667 -6.889 -7.115 -7.345 -7.578 -7.816 -8.058 -8.305 -8.556 -8.811 -9.071 -9.334 -9.601 -9.871 -10.142 -10.414 -10.683 -10.949 -11.208 -11.458 -11.695 -0.200 -0.354 -0.605 -0.907 -1.239 -1.594 -1.967 -2.357 -2.765 -3.190 -3.632 -4.091 -4.564 -5.051 -5.552 -6.599 -6.817 -7.038 -7.263 -7.492 -7.724 -7.961 -8.201 -8.446 -8.694 -8.946 -9.201 -9.459 -9.719 -9.981 -10.241 -10.500 -10.756 -11.006 -11.248 -11.480 -0.210 -0.346 -0.583 -0.870 -1.187 -1.524 -1.876 -2.241 -2.619 -3.009 -3.411 -3.824 -4.248 -4.681 -5.122 -6.031 -6.217 -6.405 -6.595 -6.787 -6.981 -7.177 -7.375 -7.575 -7.777 -7.982 -8.188 -8.396 -8.605 -8.816 -9.027 -9.239 -9.451 -9.662 -9.873 -10.082 -0.252 -0.361 -0.580 -0.852 -1.154 -1.475 -1.809 -2.153 -2.507 -2.870 -3.241 -3.620 -4.006 -4.398 -4.797 -5.608 -5.773 -5.939 -6.106 -6.275 -6.444 -6.615 -6.787 -6.960 -7.135 -7.311 -7.488 -7.667 -7.847 -8.028 -8.210 -8.394 -8.578 -8.764 -8.950 -9.137 -0.318 -0.393 -0.593 -0.849 -1.136 -1.441 -1.760 -2.087 -2.421 -2.760 -3.106 -3.457 -3.814 -4.174 -4.539 -5.277 -5.426 -5.576 -5.726 -5.877 -6.029 -6.182 -6.335 -6.489 -6.645 -6.801 -6.958 -7.116 -7.275 -7.435 -7.597 -7.759 -7.922 -8.086 -8.251 -8.418 -0.404 -0.441 -0.618 -0.857 -1.130 -1.421 -1.725 -2.036 -2.353 -2.674 -2.999 -3.327 -3.658 -3.992 -4.329 -5.008 -5.145 -5.282 -5.419 -5.557 -5.695 -5.834 -5.973 -6.113 -6.254 -6.395 -6.537 -6.679 -6.823 -6.967 -7.112 -7.258 -7.405 -7.552 -7.701 -7.850 -0.505 -0.500 -0.655 -0.877 -1.134 -1.412 -1.701 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Radius(Å) = 2.75 Alk. = 0.000 Ref: Migdisov09 2 1.000 23 1.000 59 -4.264 -4.361 -4.506 -4.672 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.264 -4.361 -4.506 -4.672 -4.852 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.264 -4.361 -4.506 -4.672 -4.852 -5.045 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-3.384 -3.797 -4.221 -4.654 -5.095 -6.002 -6.188 -6.376 -6.565 -6.757 -6.950 -7.146 -7.344 -7.543 -7.745 -7.949 -8.154 -8.362 -8.570 -8.780 -8.991 -9.202 -9.413 -9.624 -9.833 -10.042 -0.210 -0.323 -0.545 -0.819 -1.123 -1.445 -1.780 -2.125 -2.479 -2.842 -3.213 -3.592 -3.979 -4.371 -4.769 -5.580 -5.745 -5.911 -6.077 -6.245 -6.415 -6.585 -6.757 -6.930 -7.104 -7.280 -7.457 -7.635 -7.815 -7.996 -8.178 -8.361 -8.545 -8.730 -8.915 -9.101 -0.276 -0.355 -0.557 -0.816 -1.104 -1.411 -1.730 -2.058 -2.392 -2.733 -3.079 -3.430 -3.786 -4.147 -4.511 -5.248 -5.397 -5.547 -5.697 -5.848 -6.000 -6.152 -6.306 -6.460 -6.615 -6.771 -6.927 -7.085 -7.244 -7.404 -7.565 -7.727 -7.890 -8.054 -8.219 -8.384 -0.361 -0.402 -0.583 -0.824 -1.098 -1.391 -1.695 -2.007 -2.325 -2.646 -2.971 -3.299 -3.631 -3.965 -4.301 -4.980 -5.116 -5.253 -5.390 -5.528 -5.666 -5.805 -5.944 -6.084 -6.224 -6.365 -6.507 -6.649 -6.792 -6.936 -7.081 -7.227 -7.373 -7.521 -7.669 -7.818 -0.462 -0.461 -0.619 -0.843 -1.102 -1.381 -1.672 -1.970 -2.272 -2.577 -2.884 -3.193 -3.503 -3.815 -4.128 -4.757 -4.884 -5.010 -5.137 -5.264 -5.391 -5.518 -5.646 -5.774 -5.903 -6.032 -6.162 -6.292 -6.423 -6.554 -6.687 -6.819 -6.953 -7.087 -7.222 -7.358 -0.575 -0.530 -0.664 -0.870 -1.115 -1.380 -1.658 -1.943 -2.232 -2.522 -2.813 -3.105 -3.398 -3.690 -3.984 -4.571 -4.688 -4.806 -4.924 -5.042 -5.160 -5.278 -5.397 -5.516 -5.635 -5.754 -5.874 -5.994 -6.115 -6.237 -6.358 -6.481 -6.604 -6.728 -6.852 -6.978 -0.698 -0.607 -0.716 -0.905 -1.135 -1.387 -1.652 -1.925 -2.201 -2.479 -2.756 -3.033 -3.310 -3.586 -3.862 -4.413 -4.523 -4.633 -4.743 -4.854 -4.964 -5.075 -5.185 -5.296 -5.407 -5.519 -5.630 -5.742 -5.855 -5.968 -6.081 -6.195 -6.310 -6.425 -6.541 -6.658 99999.999 -0.690 -0.775 -0.946 -1.161 -1.400 -1.654 -1.915 -2.179 -2.445 -2.710 -2.974 -3.237 -3.498 -3.759 -4.278 -4.382 -4.485 -4.589 -4.693 -4.796 -4.900 -5.004 -5.108 -5.213 -5.317 -5.422 -5.527 -5.633 -5.739 -5.845 -5.952 -6.059 -6.167 -6.276 -6.386 DyF+2 DyF+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Migdisov09 2 1.000 23 1.000 60 -4.248 -4.391 -4.558 -4.734 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.248 -4.391 -4.558 -4.734 -4.916 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.248 -4.391 -4.558 -4.734 -4.915 -5.103 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.248 -4.390 -4.558 -4.734 -4.915 -5.103 -5.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.247 -4.390 -4.558 -4.734 -4.915 -5.102 -5.298 -5.507 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.247 -4.390 -4.557 -4.733 -4.914 -5.101 -5.297 -5.506 -5.731 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.246 -4.389 -4.556 -4.732 -4.913 -5.099 -5.295 -5.503 -5.727 -5.975 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.244 -4.388 -4.555 -4.731 -4.911 -5.097 -5.292 -5.499 -5.722 -5.968 -6.248 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.243 -4.387 -4.554 -4.729 -4.909 -5.094 -5.288 -5.494 -5.715 -5.959 -6.236 -6.563 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.240 -4.385 -4.552 -4.727 -4.906 -5.091 -5.283 -5.487 -5.707 -5.947 -6.219 -6.539 -6.928 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.237 -4.382 -4.550 -4.724 -4.902 -5.086 -5.277 -5.479 -5.695 -5.932 -6.198 -6.508 -6.882 -7.349 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.234 -4.380 -4.547 -4.720 -4.897 -5.079 -5.269 -5.468 -5.681 -5.913 -6.172 -6.470 -6.825 -7.266 -7.858 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.231 -4.378 -4.544 -4.717 -4.894 -5.075 -5.262 -5.460 -5.671 -5.899 -6.152 -6.442 -6.783 -7.204 -7.790 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.228 -4.375 -4.541 -4.713 -4.889 -5.068 -5.254 -5.449 -5.656 -5.879 -6.125 -6.403 -6.726 -7.118 -7.666 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.224 -4.372 -4.538 -4.710 -4.884 -5.062 -5.245 -5.438 -5.642 -5.861 -6.100 -6.367 -6.673 -7.039 -7.540 -6.609 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.221 -4.369 -4.535 -4.706 -4.879 -5.056 -5.237 -5.427 -5.628 -5.842 -6.076 -6.333 -6.624 -6.964 -7.420 -7.269 -7.077 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.218 -4.367 -4.533 -4.703 -4.875 -5.050 -5.230 -5.417 -5.615 -5.825 -6.052 -6.301 -6.578 -6.896 -7.309 -7.386 -7.377 -7.307 -7.241 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.216 -4.365 -4.530 -4.699 -4.870 -5.044 -5.222 -5.407 -5.602 -5.809 -6.030 -6.271 -6.535 -6.833 -7.208 -7.404 -7.452 -7.471 -7.463 -7.461 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.213 -4.362 -4.527 -4.696 -4.866 -5.038 -5.215 -5.397 -5.589 -5.793 -6.009 -6.242 -6.495 -6.776 -7.116 -7.389 -7.460 -7.518 -7.558 -7.585 -7.620 -7.699 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.211 -4.360 -4.525 -4.693 -4.862 -5.033 -5.207 -5.388 -5.577 -5.777 -5.989 -6.216 -6.458 -6.724 -7.035 -7.362 -7.444 -7.518 -7.583 -7.638 -7.688 -7.745 -7.829 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.209 -4.359 -4.523 -4.690 -4.858 -5.027 -5.200 -5.379 -5.566 -5.762 -5.970 -6.190 -6.424 -6.676 -6.962 -7.329 -7.416 -7.498 -7.576 -7.647 -7.713 -7.777 -7.847 -7.935 -8.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.207 -4.357 -4.521 -4.687 -4.854 -5.022 -5.194 -5.370 -5.555 -5.748 -5.952 -6.166 -6.393 -6.633 -6.898 -7.293 -7.382 -7.469 -7.553 -7.633 -7.709 -7.783 -7.856 -7.934 -8.024 -8.129 -8.254 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.205 -4.355 -4.519 -4.684 -4.850 -5.017 -5.187 -5.362 -5.544 -5.734 -5.934 -6.144 -6.363 -6.594 -6.842 -7.256 -7.346 -7.435 -7.522 -7.607 -7.690 -7.770 -7.849 -7.928 -8.010 -8.100 -8.198 -8.308 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.204 -4.354 -4.517 -4.682 -4.847 -5.013 -5.181 -5.354 -5.533 -5.721 -5.917 -6.122 -6.336 -6.559 -6.793 -7.219 -7.309 -7.399 -7.487 -7.575 -7.661 -7.745 -7.828 -7.910 -7.993 -8.077 -8.165 -8.258 -8.356 -8.458 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.202 -4.352 -4.515 -4.679 -4.843 -5.008 -5.175 -5.346 -5.523 -5.708 -5.901 -6.102 -6.311 -6.527 -6.751 -7.182 -7.272 -7.361 -7.451 -7.539 -7.627 -7.714 -7.799 -7.884 -7.968 -8.052 -8.137 -8.223 -8.311 -8.400 -8.489 99999.999 99999.999 99999.999 99999.999 99999.999 -4.201 -4.351 -4.513 -4.677 -4.840 -5.003 -5.169 -5.338 -5.513 -5.695 -5.885 -6.083 -6.287 -6.498 -6.714 -7.146 -7.235 -7.324 -7.413 -7.502 -7.590 -7.678 -7.765 -7.852 -7.937 -8.022 -8.107 -8.191 -8.275 -8.358 -8.440 -8.519 -8.595 99999.999 99999.999 99999.999 -4.200 -4.350 -4.511 -4.674 -4.836 -4.999 -5.163 -5.330 -5.503 -5.683 -5.870 -6.064 -6.265 -6.471 -6.682 -7.111 -7.198 -7.286 -7.375 -7.463 -7.552 -7.640 -7.728 -7.816 -7.902 -7.988 -8.073 -8.157 -8.240 -8.321 -8.400 -8.476 -8.548 -8.614 99999.999 99999.999 -4.200 -4.349 -4.510 -4.672 -4.833 -4.995 -5.157 -5.323 -5.494 -5.671 -5.855 -6.047 -6.244 -6.446 -6.653 -7.076 -7.163 -7.250 -7.337 -7.425 -7.513 -7.601 -7.689 -7.777 -7.864 -7.951 -8.036 -8.121 -8.203 -8.284 -8.363 -8.438 -8.509 -8.575 -8.635 -8.687 -4.199 -4.348 -4.508 -4.670 -4.830 -4.990 -5.152 -5.316 -5.485 -5.660 -5.841 -6.030 -6.224 -6.422 -6.625 -7.042 -7.128 -7.214 -7.300 -7.387 -7.474 -7.562 -7.649 -7.737 -7.824 -7.911 -7.997 -8.082 -8.165 -8.246 -8.325 -8.401 -8.473 -8.540 -8.601 -8.656 -4.201 -4.344 -4.498 -4.652 -4.804 -4.954 -5.104 -5.253 -5.405 -5.560 -5.719 -5.882 -6.050 -6.220 -6.394 -6.750 -6.823 -6.896 -6.970 -7.044 -7.120 -7.196 -7.272 -7.350 -7.428 -7.506 -7.585 -7.665 -7.744 -7.824 -7.903 -7.983 -8.061 -8.139 -8.215 -8.290 -4.216 -4.349 -4.495 -4.642 -4.786 -4.927 -5.066 -5.204 -5.342 -5.482 -5.623 -5.767 -5.914 -6.063 -6.214 -6.521 -6.584 -6.647 -6.710 -6.774 -6.838 -6.903 -6.969 -7.035 -7.102 -7.169 -7.237 -7.306 -7.375 -7.445 -7.515 -7.586 -7.657 -7.728 -7.800 -7.872 -4.241 -4.361 -4.498 -4.637 -4.774 -4.907 -5.037 -5.165 -5.292 -5.419 -5.546 -5.674 -5.804 -5.935 -6.068 -6.337 -6.391 -6.446 -6.501 -6.556 -6.612 -6.668 -6.725 -6.782 -6.839 -6.897 -6.956 -7.015 -7.075 -7.135 -7.196 -7.257 -7.320 -7.382 -7.446 -7.510 -4.274 -4.378 -4.506 -4.637 -4.766 -4.892 -5.014 -5.134 -5.251 -5.367 -5.482 -5.598 -5.714 -5.830 -5.947 -6.184 -6.232 -6.280 -6.328 -6.377 -6.425 -6.474 -6.524 -6.573 -6.623 -6.674 -6.725 -6.776 -6.828 -6.881 -6.934 -6.987 -7.041 -7.096 -7.151 -7.207 -4.314 -4.401 -4.518 -4.641 -4.763 -4.881 -4.996 -5.108 -5.217 -5.324 -5.429 -5.534 -5.638 -5.742 -5.846 -6.056 -6.099 -6.141 -6.183 -6.226 -6.269 -6.312 -6.355 -6.399 -6.443 -6.487 -6.532 -6.577 -6.622 -6.668 -6.715 -6.761 -6.809 -6.857 -6.906 -6.955 -4.359 -4.426 -4.533 -4.648 -4.763 -4.874 -4.983 -5.088 -5.190 -5.288 -5.385 -5.480 -5.574 -5.667 -5.761 -5.947 -5.985 -6.022 -6.060 -6.098 -6.136 -6.174 -6.212 -6.251 -6.289 -6.328 -6.368 -6.408 -6.448 -6.488 -6.529 -6.571 -6.613 -6.655 -6.698 -6.742 -4.407 -4.455 -4.552 -4.658 -4.766 -4.871 -4.973 -5.071 -5.166 -5.258 -5.347 -5.434 -5.519 -5.604 -5.687 -5.854 -5.887 -5.920 -5.954 -5.987 -6.021 -6.055 -6.089 -6.123 -6.157 -6.192 -6.227 -6.262 -6.298 -6.334 -6.370 -6.407 -6.445 -6.482 -6.521 -6.560 99999.999 -4.486 -4.572 -4.671 -4.771 -4.870 -4.966 -5.058 -5.147 -5.233 -5.315 -5.395 -5.472 -5.549 -5.624 -5.772 -5.802 -5.832 -5.862 -5.892 -5.922 -5.952 -5.982 -6.012 -6.043 -6.074 -6.105 -6.137 -6.168 -6.201 -6.233 -6.266 -6.300 -6.334 -6.368 -6.403 DyCl+2 DyCl+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Migdisov09 2 1.000 3 1.000 60 -0.703 -0.697 -0.794 -0.950 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.703 -0.697 -0.794 -0.950 -1.145 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.703 -0.697 -0.794 -0.950 -1.144 -1.369 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.703 -0.697 -0.794 -0.949 -1.144 -1.369 -1.619 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.702 -0.697 -0.794 -0.949 -1.144 -1.368 -1.618 -1.891 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.702 -0.696 -0.793 -0.948 -1.143 -1.367 -1.617 -1.890 -2.187 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.701 -0.695 -0.792 -0.948 -1.142 -1.366 -1.615 -1.887 -2.184 -2.508 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.700 -0.694 -0.791 -0.946 -1.140 -1.364 -1.612 -1.884 -2.179 -2.502 -2.860 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.698 -0.693 -0.790 -0.945 -1.138 -1.361 -1.609 -1.880 -2.173 -2.494 -2.849 -3.254 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.696 -0.691 -0.788 -0.942 -1.135 -1.358 -1.604 -1.874 -2.166 -2.483 -2.834 -3.232 -3.700 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.694 -0.689 -0.786 -0.940 -1.132 -1.353 -1.598 -1.866 -2.156 -2.470 -2.816 -3.205 -3.658 -4.215 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.691 -0.686 -0.783 -0.936 -1.127 -1.347 -1.591 -1.856 -2.143 -2.453 -2.793 -3.172 -3.607 -4.132 -4.857 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.688 -0.684 -0.781 -0.933 -1.124 -1.343 -1.586 -1.849 -2.134 -2.441 -2.776 -3.147 -3.569 -4.073 -4.756 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.685 -0.682 -0.778 -0.930 -1.119 -1.337 -1.578 -1.839 -2.121 -2.424 -2.752 -3.113 -3.519 -3.994 -4.622 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.683 -0.679 -0.775 -0.926 -1.115 -1.331 -1.570 -1.830 -2.109 -2.408 -2.730 -3.082 -3.473 -3.923 -4.500 -5.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.680 -0.677 -0.772 -0.923 -1.111 -1.326 -1.563 -1.821 -2.097 -2.392 -2.709 -3.052 -3.430 -3.857 -4.391 -4.968 -5.180 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.678 -0.675 -0.770 -0.920 -1.107 -1.321 -1.556 -1.812 -2.085 -2.377 -2.689 -3.025 -3.390 -3.797 -4.292 -4.903 -5.088 -5.303 -5.626 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.676 -0.673 -0.767 -0.917 -1.103 -1.315 -1.550 -1.803 -2.074 -2.363 -2.670 -2.998 -3.353 -3.742 -4.203 -4.837 -5.014 -5.203 -5.419 -5.699 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.675 -0.671 -0.765 -0.914 -1.099 -1.311 -1.543 -1.795 -2.063 -2.349 -2.652 -2.974 -3.318 -3.692 -4.123 -4.775 -4.945 -5.124 -5.315 -5.529 -5.786 -6.111 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.673 -0.670 -0.763 -0.911 -1.095 -1.306 -1.537 -1.787 -2.053 -2.336 -2.634 -2.951 -3.286 -3.647 -4.052 -4.717 -4.882 -5.053 -5.232 -5.423 -5.634 -5.876 -6.161 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.672 -0.668 -0.761 -0.909 -1.092 -1.301 -1.531 -1.779 -2.043 -2.323 -2.618 -2.929 -3.257 -3.605 -3.989 -4.663 -4.823 -4.988 -5.159 -5.338 -5.528 -5.735 -5.964 -6.223 -6.516 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.671 -0.667 -0.760 -0.906 -1.089 -1.297 -1.526 -1.772 -2.034 -2.311 -2.602 -2.908 -3.229 -3.568 -3.934 -4.613 -4.768 -4.928 -5.092 -5.263 -5.441 -5.630 -5.832 -6.050 -6.290 -6.551 -6.833 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.671 -0.666 -0.758 -0.904 -1.086 -1.293 -1.520 -1.764 -2.024 -2.299 -2.587 -2.889 -3.204 -3.534 -3.885 -4.566 -4.717 -4.872 -5.031 -5.195 -5.365 -5.542 -5.728 -5.925 -6.134 -6.357 -6.595 -6.846 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.670 -0.665 -0.757 -0.902 -1.083 -1.289 -1.515 -1.757 -2.015 -2.287 -2.573 -2.870 -3.180 -3.503 -3.842 -4.522 -4.669 -4.820 -4.975 -5.133 -5.297 -5.466 -5.641 -5.823 -6.014 -6.215 -6.425 -6.644 -6.872 -7.104 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.670 -0.665 -0.755 -0.900 -1.080 -1.285 -1.510 -1.751 -2.007 -2.276 -2.559 -2.853 -3.158 -3.475 -3.804 -4.480 -4.624 -4.771 -4.922 -5.076 -5.234 -5.396 -5.564 -5.737 -5.915 -6.101 -6.293 -6.491 -6.695 -6.904 -7.114 99999.999 99999.999 99999.999 99999.999 99999.999 -0.670 -0.664 -0.754 -0.898 -1.077 -1.281 -1.505 -1.744 -1.998 -2.266 -2.545 -2.836 -3.137 -3.449 -3.771 -4.440 -4.581 -4.725 -4.872 -5.022 -5.176 -5.333 -5.494 -5.659 -5.829 -6.004 -6.184 -6.368 -6.556 -6.748 -6.941 -7.134 -7.324 99999.999 99999.999 99999.999 -0.670 -0.664 -0.753 -0.896 -1.074 -1.277 -1.500 -1.738 -1.990 -2.255 -2.532 -2.820 -3.118 -3.425 -3.741 -4.402 -4.541 -4.682 -4.825 -4.972 -5.121 -5.274 -5.430 -5.589 -5.752 -5.919 -6.090 -6.264 -6.441 -6.620 -6.800 -6.980 -7.159 -7.334 99999.999 99999.999 -0.670 -0.663 -0.752 -0.895 -1.072 -1.274 -1.495 -1.732 -1.982 -2.245 -2.520 -2.805 -3.100 -3.403 -3.714 -4.366 -4.502 -4.641 -4.781 -4.924 -5.070 -5.219 -5.370 -5.525 -5.682 -5.843 -6.006 -6.173 -6.341 -6.511 -6.682 -6.853 -7.022 -7.189 -7.352 -7.509 -0.671 -0.663 -0.751 -0.893 -1.070 -1.271 -1.491 -1.726 -1.975 -2.236 -2.508 -2.791 -3.082 -3.382 -3.689 -4.332 -4.466 -4.601 -4.739 -4.879 -5.022 -5.167 -5.314 -5.465 -5.617 -5.773 -5.931 -6.091 -6.253 -6.416 -6.579 -6.743 -6.905 -7.066 -7.222 -7.375 -0.685 -0.668 -0.749 -0.883 -1.052 -1.244 -1.453 -1.676 -1.910 -2.154 -2.406 -2.667 -2.933 -3.206 -3.483 -4.052 -4.169 -4.286 -4.405 -4.524 -4.645 -4.767 -4.890 -5.014 -5.139 -5.265 -5.392 -5.521 -5.650 -5.780 -5.910 -6.041 -6.172 -6.303 -6.433 -6.563 -0.715 -0.684 -0.756 -0.882 -1.043 -1.227 -1.427 -1.640 -1.862 -2.092 -2.329 -2.572 -2.820 -3.073 -3.328 -3.849 -3.954 -4.060 -4.167 -4.274 -4.382 -4.490 -4.599 -4.709 -4.819 -4.930 -5.042 -5.154 -5.267 -5.380 -5.494 -5.609 -5.724 -5.839 -5.955 -6.071 -0.756 -0.709 -0.770 -0.888 -1.042 -1.218 -1.410 -1.614 -1.826 -2.045 -2.270 -2.499 -2.732 -2.968 -3.207 -3.691 -3.788 -3.886 -3.984 -4.083 -4.181 -4.280 -4.380 -4.480 -4.580 -4.681 -4.782 -4.884 -4.986 -5.088 -5.191 -5.294 -5.398 -5.502 -5.606 -5.711 -0.807 -0.740 -0.790 -0.900 -1.046 -1.215 -1.399 -1.595 -1.799 -2.008 -2.223 -2.441 -2.662 -2.885 -3.110 -3.564 -3.655 -3.747 -3.838 -3.930 -4.022 -4.114 -4.206 -4.299 -4.392 -4.485 -4.578 -4.672 -4.766 -4.860 -4.955 -5.050 -5.145 -5.241 -5.336 -5.433 -0.865 -0.778 -0.816 -0.917 -1.055 -1.216 -1.394 -1.583 -1.779 -1.980 -2.186 -2.394 -2.605 -2.817 -3.030 -3.460 -3.546 -3.632 -3.719 -3.805 -3.891 -3.978 -4.065 -4.152 -4.239 -4.326 -4.413 -4.501 -4.588 -4.676 -4.764 -4.853 -4.942 -5.031 -5.120 -5.209 -0.929 -0.819 -0.846 -0.937 -1.068 -1.223 -1.394 -1.576 -1.765 -1.959 -2.157 -2.356 -2.558 -2.761 -2.965 -3.373 -3.455 -3.537 -3.619 -3.701 -3.783 -3.865 -3.947 -4.029 -4.111 -4.194 -4.276 -4.359 -4.442 -4.524 -4.607 -4.691 -4.774 -4.858 -4.942 -5.026 -0.998 -0.865 -0.879 -0.962 -1.084 -1.232 -1.397 -1.573 -1.755 -1.943 -2.134 -2.326 -2.520 -2.715 -2.910 -3.301 -3.379 -3.457 -3.535 -3.613 -3.692 -3.770 -3.848 -3.926 -4.004 -4.083 -4.161 -4.240 -4.318 -4.397 -4.476 -4.555 -4.634 -4.714 -4.793 -4.873 99999.999 -0.914 -0.915 -0.989 -1.104 -1.245 -1.404 -1.573 -1.750 -1.932 -2.116 -2.302 -2.489 -2.677 -2.864 -3.240 -3.314 -3.389 -3.464 -3.539 -3.614 -3.689 -3.764 -3.838 -3.913 -3.988 -4.063 -4.138 -4.213 -4.289 -4.364 -4.440 -4.515 -4.591 -4.667 -4.744 DyCl2+ DyCl2+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Migdisov09 2 2.000 3 1.000 60 -0.363 -0.434 -0.651 -0.948 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.363 -0.434 -0.651 -0.948 -1.300 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.362 -0.434 -0.650 -0.948 -1.300 -1.697 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.362 -0.433 -0.650 -0.947 -1.300 -1.696 -2.133 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.361 -0.432 -0.649 -0.946 -1.298 -1.695 -2.131 -2.607 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.360 -0.431 -0.648 -0.945 -1.297 -1.693 -2.128 -2.603 -3.121 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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Charge = 2. 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-3.570 -4.136 -4.252 -4.368 -4.486 -4.604 -4.723 -4.844 -4.965 -5.088 -5.211 -5.335 -5.461 -5.587 -5.714 -5.841 -5.969 -6.097 -6.225 -6.353 -6.480 -6.607 -0.707 -0.702 -0.793 -0.933 -1.104 -1.296 -1.502 -1.719 -1.944 -2.176 -2.415 -2.658 -2.907 -3.159 -3.414 -3.931 -4.036 -4.142 -4.247 -4.354 -4.460 -4.568 -4.676 -4.784 -4.893 -5.003 -5.114 -5.225 -5.336 -5.448 -5.561 -5.674 -5.787 -5.901 -6.015 -6.129 -0.749 -0.728 -0.808 -0.940 -1.103 -1.287 -1.485 -1.692 -1.907 -2.128 -2.354 -2.584 -2.817 -3.053 -3.291 -3.772 -3.869 -3.966 -4.063 -4.161 -4.259 -4.357 -4.456 -4.554 -4.654 -4.753 -4.854 -4.954 -5.055 -5.156 -5.258 -5.360 -5.463 -5.566 -5.669 -5.773 -0.801 -0.760 -0.829 -0.952 -1.108 -1.284 -1.474 -1.674 -1.880 -2.092 -2.307 -2.525 -2.746 -2.968 -3.193 -3.644 -3.734 -3.825 -3.916 -4.006 -4.098 -4.189 -4.280 -4.372 -4.464 -4.556 -4.648 -4.741 -4.834 -4.927 -5.021 -5.115 -5.209 -5.303 -5.398 -5.494 -0.860 -0.798 -0.855 -0.969 -1.117 -1.286 -1.469 -1.662 -1.860 -2.063 -2.269 -2.478 -2.688 -2.899 -3.112 -3.538 -3.623 -3.709 -3.794 -3.880 -3.966 -4.051 -4.137 -4.223 -4.309 -4.395 -4.481 -4.568 -4.655 -4.742 -4.829 -4.916 -5.004 -5.092 -5.180 -5.269 -0.925 -0.841 -0.886 -0.991 -1.131 -1.293 -1.469 -1.655 -1.846 -2.042 -2.240 -2.440 -2.641 -2.843 -3.045 -3.450 -3.531 -3.612 -3.693 -3.774 -3.856 -3.937 -4.018 -4.099 -4.180 -4.261 -4.343 -4.424 -4.506 -4.588 -4.670 -4.752 -4.835 -4.917 -5.000 -5.083 -0.995 -0.888 -0.920 -1.016 -1.148 -1.303 -1.473 -1.652 -1.837 -2.026 -2.217 -2.409 -2.603 -2.796 -2.990 -3.377 -3.454 -3.531 -3.608 -3.686 -3.763 -3.840 -3.917 -3.994 -4.071 -4.149 -4.226 -4.303 -4.381 -4.459 -4.537 -4.614 -4.693 -4.771 -4.850 -4.928 99999.999 -0.938 -0.957 -1.044 -1.168 -1.317 -1.480 -1.653 -1.832 -2.015 -2.200 -2.385 -2.571 -2.758 -2.943 -3.314 -3.388 -3.462 -3.536 -3.610 -3.684 -3.758 -3.831 -3.905 -3.979 -4.053 -4.127 -4.201 -4.275 -4.349 -4.423 -4.498 -4.572 -4.647 -4.722 -4.797 HoCl2+ HoCl2+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Migdisov09 2 2.000 3 1.000 61 -0.350 -0.449 -0.680 -0.985 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.350 -0.449 -0.680 -0.985 -1.341 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.350 -0.448 -0.680 -0.985 -1.340 -1.736 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.333 -0.433 -0.665 -0.968 -1.319 -1.710 -2.137 -2.600 -3.101 -3.649 -4.261 -4.966 -5.808 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.326 -0.428 -0.659 -0.961 -1.311 -1.700 -2.124 -2.583 -3.080 -3.621 -4.223 -4.910 -5.722 -6.737 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.318 -0.421 -0.651 -0.952 -1.301 -1.687 -2.108 -2.562 -3.053 -3.586 -4.175 -4.841 -5.617 -6.572 -7.905 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.313 -0.415 -0.645 -0.945 -1.293 -1.677 -2.096 -2.547 -3.033 -3.560 -4.139 -4.790 -5.541 -6.452 -7.716 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.305 -0.408 -0.637 -0.936 -1.282 -1.664 -2.079 -2.525 -3.006 -3.524 -4.091 -4.720 -5.438 -6.293 -7.452 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.298 -0.401 -0.630 -0.927 -1.271 -1.651 -2.062 -2.504 -2.979 -3.490 -4.044 -4.655 -5.343 -6.147 -7.208 -7.693 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.291 -0.395 -0.623 -0.919 -1.261 -1.638 -2.046 -2.484 -2.953 -3.457 -4.000 -4.594 -5.254 -6.013 -6.986 -7.767 -8.024 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.285 -0.389 -0.616 -0.911 -1.251 -1.626 -2.031 -2.465 -2.929 -3.425 -3.958 -4.536 -5.172 -5.890 -6.785 -7.699 -7.976 -8.282 -8.762 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.279 -0.383 -0.610 -0.903 -1.242 -1.614 -2.016 -2.446 -2.905 -3.394 -3.918 -4.482 -5.095 -5.778 -6.604 -7.596 -7.880 -8.174 -8.502 -8.934 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.274 -0.378 -0.604 -0.896 -1.232 -1.602 -2.001 -2.428 -2.882 -3.365 -3.880 -4.431 -5.024 -5.675 -6.441 -7.488 -7.769 -8.058 -8.363 -8.700 -9.110 -9.645 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.269 -0.373 -0.598 -0.889 -1.224 -1.591 -1.987 -2.410 -2.860 -3.337 -3.843 -4.382 -4.958 -5.582 -6.296 -7.383 -7.658 -7.941 -8.234 -8.544 -8.884 -9.277 -9.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.265 -0.369 -0.592 -0.882 -1.215 -1.581 -1.974 -2.393 -2.838 -3.310 -3.809 -4.337 -4.897 -5.497 -6.167 -7.282 -7.551 -7.827 -8.111 -8.407 -8.719 -9.057 -9.434 -9.865 -10.360 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.262 -0.364 -0.587 -0.876 -1.207 -1.570 -1.961 -2.377 -2.817 -3.283 -3.775 -4.294 -4.840 -5.419 -6.052 -7.187 -7.449 -7.718 -7.994 -8.278 -8.575 -8.886 -9.220 -9.582 -9.982 -10.423 -10.905 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.258 -0.361 -0.582 -0.870 -1.199 -1.560 -1.948 -2.361 -2.797 -3.258 -3.743 -4.253 -4.787 -5.349 -5.952 -7.096 -7.352 -7.614 -7.882 -8.158 -8.442 -8.738 -9.047 -9.374 -9.722 -10.096 -10.497 -10.923 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.256 -0.357 -0.578 -0.864 -1.192 -1.551 -1.936 -2.345 -2.778 -3.234 -3.713 -4.214 -4.738 -5.285 -5.864 -7.010 -7.260 -7.515 -7.776 -8.044 -8.319 -8.603 -8.896 -9.201 -9.520 -9.855 -10.207 -10.576 -10.959 -11.352 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.253 -0.354 -0.574 -0.858 -1.184 -1.541 -1.924 -2.330 -2.759 -3.210 -3.683 -4.178 -4.692 -5.227 -5.787 -6.927 -7.172 -7.421 -7.676 -7.937 -8.204 -8.477 -8.759 -9.049 -9.349 -9.659 -9.981 -10.313 -10.656 -11.005 -11.358 99999.999 99999.999 99999.999 99999.999 99999.999 -0.251 -0.351 -0.570 -0.853 -1.177 -1.532 -1.913 -2.316 -2.741 -3.187 -3.655 -4.143 -4.649 -5.174 -5.718 -6.849 -7.088 -7.332 -7.581 -7.835 -8.094 -8.360 -8.632 -8.910 -9.196 -9.490 -9.791 -10.100 -10.415 -10.735 -11.058 -11.379 -11.695 99999.999 99999.999 99999.999 -0.250 -0.348 -0.566 -0.848 -1.171 -1.524 -1.902 -2.302 -2.723 -3.165 -3.628 -4.110 -4.609 -5.125 -5.658 -6.774 -7.009 -7.247 -7.490 -7.738 -7.991 -8.249 -8.513 -8.782 -9.057 -9.338 -9.625 -9.917 -10.214 -10.513 -10.814 -11.114 -11.409 -11.697 99999.999 99999.999 -0.249 -0.346 -0.562 -0.843 -1.164 -1.515 -1.891 -2.288 -2.706 -3.144 -3.602 -4.078 -4.571 -5.079 -5.603 -6.702 -6.932 -7.166 -7.404 -7.646 -7.893 -8.145 -8.401 -8.662 -8.929 -9.200 -9.475 -9.755 -10.038 -10.322 -10.608 -10.892 -11.172 -11.446 -11.711 -11.965 -0.248 -0.344 -0.559 -0.838 -1.158 -1.507 -1.880 -2.275 -2.689 -3.123 -3.576 -4.047 -4.534 -5.036 -5.552 -6.634 -6.859 -7.088 -7.321 -7.558 -7.800 -8.045 -8.295 -8.549 -8.808 -9.071 -9.337 -9.607 -9.879 -10.153 -10.426 -10.699 -10.968 -11.232 -11.489 -11.735 -0.261 -0.338 -0.539 -0.803 -1.108 -1.439 -1.792 -2.161 -2.546 -2.945 -3.358 -3.784 -4.222 -4.669 -5.126 -6.068 -6.261 -6.456 -6.653 -6.852 -7.053 -7.257 -7.462 -7.670 -7.880 -8.092 -8.306 -8.522 -8.740 -8.959 -9.178 -9.399 -9.619 -9.840 -10.059 -10.277 -0.304 -0.354 -0.537 -0.787 -1.077 -1.392 -1.727 -2.075 -2.437 -2.809 -3.191 -3.583 -3.983 -4.390 -4.804 -5.649 -5.821 -5.993 -6.167 -6.343 -6.519 -6.697 -6.876 -7.056 -7.238 -7.422 -7.606 -7.792 -7.980 -8.168 -8.358 -8.549 -8.741 -8.934 -9.127 -9.321 -0.372 -0.389 -0.552 -0.785 -1.060 -1.361 -1.679 -2.011 -2.352 -2.702 -3.059 -3.423 -3.794 -4.169 -4.549 -5.321 -5.477 -5.633 -5.791 -5.949 -6.108 -6.267 -6.428 -6.589 -6.751 -6.915 -7.079 -7.244 -7.410 -7.578 -7.746 -7.915 -8.086 -8.257 -8.429 -8.602 -0.459 -0.438 -0.579 -0.796 -1.056 -1.342 -1.646 -1.962 -2.286 -2.617 -2.954 -3.295 -3.641 -3.991 -4.343 -5.055 -5.199 -5.343 -5.487 -5.632 -5.777 -5.923 -6.069 -6.216 -6.364 -6.512 -6.661 -6.811 -6.961 -7.113 -7.265 -7.418 -7.571 -7.726 -7.882 -8.038 -0.561 -0.499 -0.617 -0.816 -1.061 -1.334 -1.625 -1.926 -2.236 -2.550 -2.869 -3.191 -3.516 -3.843 -4.173 -4.836 -4.970 -5.103 -5.237 -5.371 -5.505 -5.640 -5.775 -5.911 -6.047 -6.183 -6.320 -6.457 -6.596 -6.734 -6.874 -7.014 -7.155 -7.296 -7.438 -7.582 -0.676 -0.569 -0.663 -0.845 -1.076 -1.335 -1.612 -1.901 -2.197 -2.497 -2.801 -3.106 -3.413 -3.721 -4.031 -4.653 -4.777 -4.902 -5.027 -5.152 -5.278 -5.403 -5.529 -5.655 -5.782 -5.908 -6.035 -6.163 -6.291 -6.420 -6.549 -6.679 -6.809 -6.940 -7.072 -7.204 -0.801 -0.648 -0.717 -0.882 -1.097 -1.343 -1.608 -1.885 -2.168 -2.456 -2.745 -3.036 -3.327 -3.619 -3.912 -4.497 -4.615 -4.732 -4.849 -4.967 -5.085 -5.202 -5.320 -5.439 -5.557 -5.676 -5.795 -5.914 -6.034 -6.155 -6.275 -6.397 -6.519 -6.641 -6.764 -6.888 99999.999 -0.732 -0.778 -0.925 -1.125 -1.358 -1.611 -1.876 -2.148 -2.424 -2.701 -2.979 -3.256 -3.534 -3.811 -4.365 -4.476 -4.587 -4.698 -4.809 -4.920 -5.031 -5.142 -5.254 -5.365 -5.477 -5.589 -5.702 -5.815 -5.928 -6.042 -6.156 -6.271 -6.386 -6.502 -6.619 ErF+2 ErF+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Migdisov09 2 1.000 23 1.000 62 -4.114 -4.266 -4.447 -4.637 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.114 -4.266 -4.447 -4.637 -4.834 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.114 -4.266 -4.447 -4.637 -4.834 -5.037 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.111 -4.264 -4.445 -4.635 -4.831 -5.033 -5.244 -5.467 -5.706 -5.968 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.110 -4.263 -4.443 -4.633 -4.829 -5.031 -5.241 -5.463 -5.701 -5.961 -6.255 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.107 -4.261 -4.442 -4.632 -4.827 -5.028 -5.237 -5.458 -5.694 -5.952 -6.242 -6.583 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.105 -4.259 -4.440 -4.629 -4.823 -5.024 -5.232 -5.451 -5.685 -5.940 -6.226 -6.559 -6.961 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.101 -4.256 -4.437 -4.626 -4.819 -5.018 -5.225 -5.442 -5.673 -5.924 -6.204 -6.528 -6.915 -7.396 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.097 -4.253 -4.433 -4.621 -4.814 -5.012 -5.216 -5.431 -5.659 -5.905 -6.178 -6.490 -6.858 -7.312 -7.919 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.094 -4.250 -4.430 -4.618 -4.810 -5.007 -5.210 -5.423 -5.648 -5.891 -6.158 -6.462 -6.816 -7.250 -7.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.090 -4.247 -4.427 -4.614 -4.804 -4.999 -5.201 -5.411 -5.633 -5.871 -6.131 -6.423 -6.759 -7.164 -7.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.085 -4.243 -4.423 -4.609 -4.799 -4.993 -5.192 -5.400 -5.618 -5.852 -6.105 -6.387 -6.706 -7.084 -7.598 -6.744 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.082 -4.240 -4.419 -4.605 -4.794 -4.986 -5.183 -5.389 -5.604 -5.834 -6.081 -6.352 -6.656 -7.010 -7.478 -7.374 -7.201 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.078 -4.237 -4.416 -4.601 -4.789 -4.980 -5.175 -5.378 -5.591 -5.816 -6.058 -6.320 -6.610 -6.942 -7.367 -7.483 -7.485 -7.430 -7.383 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.075 -4.234 -4.413 -4.597 -4.784 -4.973 -5.167 -5.368 -5.578 -5.799 -6.035 -6.290 -6.567 -6.879 -7.266 -7.496 -7.553 -7.583 -7.587 -7.599 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.071 -4.231 -4.410 -4.594 -4.779 -4.967 -5.159 -5.358 -5.565 -5.783 -6.014 -6.261 -6.527 -6.821 -7.175 -7.480 -7.558 -7.623 -7.673 -7.712 -7.759 -7.851 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.069 -4.229 -4.407 -4.590 -4.775 -4.961 -5.152 -5.348 -5.553 -5.767 -5.993 -6.234 -6.490 -6.769 -7.093 -7.451 -7.539 -7.621 -7.693 -7.757 -7.817 -7.885 -7.980 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.066 -4.226 -4.404 -4.587 -4.770 -4.956 -5.145 -5.339 -5.541 -5.752 -5.974 -6.208 -6.456 -6.721 -7.020 -7.416 -7.510 -7.599 -7.683 -7.762 -7.836 -7.909 -7.989 -8.087 -8.212 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.063 -4.224 -4.401 -4.583 -4.766 -4.950 -5.137 -5.330 -5.529 -5.737 -5.955 -6.184 -6.424 -6.678 -6.956 -7.380 -7.475 -7.568 -7.658 -7.745 -7.829 -7.910 -7.992 -8.079 -8.177 -8.292 -8.427 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.061 -4.222 -4.399 -4.580 -4.762 -4.945 -5.131 -5.321 -5.518 -5.723 -5.937 -6.161 -6.395 -6.639 -6.900 -7.342 -7.438 -7.533 -7.626 -7.718 -7.807 -7.894 -7.980 -8.067 -8.158 -8.255 -8.363 -8.481 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.059 -4.220 -4.396 -4.577 -4.758 -4.940 -5.124 -5.312 -5.507 -5.709 -5.920 -6.140 -6.367 -6.603 -6.852 -7.305 -7.400 -7.496 -7.590 -7.684 -7.776 -7.867 -7.957 -8.046 -8.136 -8.228 -8.324 -8.425 -8.531 -8.641 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.057 -4.218 -4.394 -4.574 -4.754 -4.935 -5.117 -5.304 -5.496 -5.696 -5.904 -6.119 -6.342 -6.571 -6.809 -7.267 -7.362 -7.458 -7.552 -7.647 -7.741 -7.834 -7.926 -8.017 -8.108 -8.199 -8.291 -8.385 -8.480 -8.577 -8.674 99999.999 99999.999 99999.999 99999.999 99999.999 -4.055 -4.216 -4.392 -4.571 -4.750 -4.930 -5.111 -5.296 -5.486 -5.683 -5.888 -6.100 -6.318 -6.542 -6.772 -7.231 -7.325 -7.419 -7.514 -7.608 -7.703 -7.796 -7.890 -7.982 -8.074 -8.166 -8.257 -8.348 -8.439 -8.530 -8.619 -8.706 -8.789 99999.999 99999.999 99999.999 -4.054 -4.214 -4.390 -4.568 -4.746 -4.925 -5.105 -5.288 -5.476 -5.671 -5.873 -6.081 -6.296 -6.515 -6.739 -7.195 -7.288 -7.381 -7.475 -7.569 -7.663 -7.757 -7.851 -7.944 -8.037 -8.129 -8.221 -8.311 -8.400 -8.488 -8.574 -8.658 -8.737 -8.810 99999.999 99999.999 -4.052 -4.213 -4.388 -4.565 -4.743 -4.920 -5.099 -5.280 -5.467 -5.659 -5.858 -6.063 -6.274 -6.490 -6.710 -7.160 -7.252 -7.344 -7.437 -7.530 -7.624 -7.717 -7.811 -7.904 -7.997 -8.090 -8.181 -8.272 -8.361 -8.448 -8.533 -8.615 -8.693 -8.766 -8.833 -8.892 -4.051 -4.211 -4.386 -4.563 -4.739 -4.916 -5.093 -5.273 -5.457 -5.647 -5.843 -6.046 -6.254 -6.466 -6.683 -7.126 -7.217 -7.308 -7.399 -7.492 -7.584 -7.677 -7.770 -7.863 -7.956 -8.049 -8.140 -8.231 -8.320 -8.408 -8.493 -8.575 -8.653 -8.727 -8.795 -8.856 -4.048 -4.203 -4.371 -4.541 -4.710 -4.876 -5.042 -5.208 -5.375 -5.545 -5.719 -5.897 -6.078 -6.263 -6.450 -6.832 -6.909 -6.988 -7.067 -7.146 -7.226 -7.307 -7.389 -7.471 -7.554 -7.637 -7.721 -7.805 -7.890 -7.974 -8.059 -8.142 -8.226 -8.308 -8.389 -8.469 -4.058 -4.203 -4.365 -4.528 -4.689 -4.847 -5.002 -5.156 -5.310 -5.465 -5.622 -5.780 -5.941 -6.104 -6.268 -6.602 -6.669 -6.737 -6.806 -6.874 -6.944 -7.013 -7.084 -7.155 -7.226 -7.298 -7.371 -7.444 -7.518 -7.592 -7.667 -7.742 -7.818 -7.893 -7.970 -8.046 -4.079 -4.212 -4.365 -4.520 -4.673 -4.824 -4.971 -5.115 -5.258 -5.400 -5.543 -5.686 -5.830 -5.975 -6.122 -6.416 -6.476 -6.536 -6.596 -6.656 -6.717 -6.777 -6.839 -6.901 -6.963 -7.025 -7.089 -7.152 -7.216 -7.281 -7.347 -7.412 -7.479 -7.546 -7.614 -7.682 -4.109 -4.226 -4.370 -4.518 -4.664 -4.807 -4.946 -5.082 -5.216 -5.347 -5.478 -5.608 -5.739 -5.869 -6.000 -6.263 -6.316 -6.369 -6.423 -6.476 -6.529 -6.583 -6.637 -6.692 -6.746 -6.802 -6.857 -6.913 -6.969 -7.026 -7.084 -7.142 -7.200 -7.259 -7.319 -7.379 -4.146 -4.246 -4.379 -4.519 -4.658 -4.794 -4.926 -5.055 -5.181 -5.303 -5.424 -5.543 -5.662 -5.780 -5.899 -6.135 -6.182 -6.230 -6.277 -6.325 -6.373 -6.420 -6.469 -6.517 -6.566 -6.614 -6.664 -6.713 -6.763 -6.814 -6.865 -6.916 -6.968 -7.020 -7.073 -7.126 -4.187 -4.269 -4.392 -4.524 -4.656 -4.786 -4.911 -5.033 -5.151 -5.266 -5.378 -5.489 -5.597 -5.705 -5.812 -6.025 -6.068 -6.111 -6.153 -6.196 -6.239 -6.282 -6.325 -6.368 -6.412 -6.456 -6.500 -6.544 -6.589 -6.634 -6.679 -6.725 -6.771 -6.818 -6.865 -6.913 -4.234 -4.296 -4.409 -4.533 -4.658 -4.781 -4.900 -5.016 -5.127 -5.235 -5.340 -5.442 -5.542 -5.640 -5.738 -5.931 -5.970 -6.008 -6.047 -6.085 -6.124 -6.163 -6.202 -6.241 -6.280 -6.319 -6.359 -6.399 -6.439 -6.479 -6.520 -6.561 -6.603 -6.645 -6.688 -6.731 99999.999 -4.325 -4.427 -4.544 -4.662 -4.778 -4.892 -5.001 -5.107 -5.209 -5.307 -5.402 -5.494 -5.585 -5.674 -5.850 -5.885 -5.919 -5.954 -5.989 -6.024 -6.059 -6.095 -6.130 -6.165 -6.201 -6.237 -6.273 -6.309 -6.346 -6.383 -6.420 -6.458 -6.496 -6.535 -6.574 ErCl+2 ErCl+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Migdisov09 2 1.000 3 1.000 62 -0.661 -0.697 -0.825 -1.004 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.661 -0.697 -0.825 -1.004 -1.217 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.661 -0.697 -0.825 -1.004 -1.217 -1.455 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-3.811 -4.241 -4.880 -5.046 -5.220 -5.404 -5.610 -5.857 -6.170 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.633 -0.672 -0.796 -0.968 -1.169 -1.393 -1.635 -1.892 -2.164 -2.450 -2.751 -3.069 -3.405 -3.765 -4.170 -4.824 -4.985 -5.152 -5.327 -5.512 -5.716 -5.949 -6.225 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.632 -0.671 -0.795 -0.965 -1.166 -1.389 -1.629 -1.884 -2.154 -2.437 -2.735 -3.047 -3.375 -3.724 -4.106 -4.771 -4.928 -5.090 -5.257 -5.432 -5.617 -5.817 -6.039 -6.290 -6.574 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.632 -0.670 -0.793 -0.963 -1.163 -1.385 -1.623 -1.877 -2.144 -2.425 -2.719 -3.027 -3.348 -3.686 -4.051 -4.722 -4.875 -5.032 -5.193 -5.360 -5.534 -5.718 -5.914 -6.126 -6.358 -6.612 -6.887 99999.999 99999.999 99999.999 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-4.978 -5.125 -5.276 -5.431 -5.589 -5.751 -5.917 -6.088 -6.263 -6.443 -6.627 -6.813 -7.001 -7.188 -7.373 99999.999 99999.999 99999.999 -0.631 -0.667 -0.788 -0.954 -1.150 -1.366 -1.598 -1.844 -2.101 -2.370 -2.650 -2.939 -3.237 -3.543 -3.858 -4.513 -4.650 -4.790 -4.931 -5.076 -5.223 -5.373 -5.526 -5.683 -5.843 -6.006 -6.173 -6.343 -6.515 -6.690 -6.866 -7.041 -7.214 -7.384 99999.999 99999.999 -0.632 -0.667 -0.787 -0.953 -1.147 -1.363 -1.594 -1.838 -2.094 -2.360 -2.637 -2.924 -3.218 -3.521 -3.831 -4.478 -4.612 -4.749 -4.888 -5.029 -5.173 -5.319 -5.468 -5.620 -5.774 -5.932 -6.092 -6.255 -6.419 -6.585 -6.752 -6.918 -7.083 -7.245 -7.402 -7.554 -0.633 -0.667 -0.786 -0.951 -1.145 -1.359 -1.589 -1.832 -2.086 -2.351 -2.626 -2.909 -3.201 -3.500 -3.806 -4.443 -4.576 -4.710 -4.846 -4.984 -5.125 -5.268 -5.413 -5.561 -5.711 -5.864 -6.018 -6.175 -6.333 -6.493 -6.653 -6.812 -6.970 -7.126 -7.278 -7.426 -0.649 -0.674 -0.786 -0.943 -1.129 -1.334 -1.553 -1.783 -2.022 -2.270 -2.524 -2.786 -3.052 -3.324 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Radius(Å) = 2.31 Alk. = 0.000 Ref: Migdisov09 2 2.000 3 1.000 62 -0.374 -0.449 -0.655 -0.934 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.374 -0.449 -0.655 -0.934 -1.265 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.374 -0.448 -0.654 -0.934 -1.264 -1.636 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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Radius(Å) = 2.75 Alk. = 0.000 Ref: Migdisov09 2 1.000 23 1.000 63 -4.116 -4.281 -4.466 -4.658 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.116 -4.281 -4.466 -4.658 -4.852 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.116 -4.281 -4.466 -4.657 -4.851 -5.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.076 -4.248 -4.430 -4.610 -4.789 -4.966 -5.146 -5.328 -5.517 -5.714 -5.920 -6.135 -6.359 -6.594 -6.845 -7.261 -7.350 -7.439 -7.525 -7.608 -7.688 -7.765 -7.840 -7.914 -7.991 -8.074 -8.166 -8.268 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.075 -4.247 -4.428 -4.608 -4.785 -4.962 -5.139 -5.320 -5.507 -5.701 -5.903 -6.113 -6.332 -6.558 -6.796 -7.224 -7.314 -7.404 -7.492 -7.578 -7.662 -7.744 -7.824 -7.903 -7.981 -8.061 -8.144 -8.231 -8.323 -8.418 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.074 -4.246 -4.426 -4.605 -4.782 -4.957 -5.133 -5.312 -5.497 -5.688 -5.887 -6.093 -6.307 -6.526 -6.754 -7.188 -7.278 -7.367 -7.456 -7.544 -7.631 -7.716 -7.799 -7.881 -7.962 -8.043 -8.123 -8.205 -8.288 -8.371 -8.455 99999.999 99999.999 99999.999 99999.999 99999.999 -4.073 -4.245 -4.425 -4.603 -4.779 -4.953 -5.127 -5.305 -5.487 -5.675 -5.871 -6.074 -6.283 -6.497 -6.717 -7.153 -7.242 -7.331 -7.419 -7.508 -7.595 -7.682 -7.768 -7.852 -7.936 -8.018 -8.099 -8.179 -8.259 -8.338 -8.415 -8.490 -8.559 99999.999 99999.999 99999.999 -4.072 -4.244 -4.423 -4.601 -4.775 -4.948 -5.122 -5.297 -5.477 -5.663 -5.856 -6.056 -6.261 -6.471 -6.685 -7.118 -7.206 -7.294 -7.382 -7.471 -7.559 -7.646 -7.733 -7.819 -7.904 -7.987 -8.070 -8.151 -8.230 -8.308 -8.383 -8.455 -8.522 -8.584 99999.999 99999.999 -4.072 -4.243 -4.422 -4.599 -4.772 -4.944 -5.116 -5.290 -5.468 -5.652 -5.842 -6.038 -6.240 -6.446 -6.655 -7.083 -7.170 -7.258 -7.345 -7.433 -7.521 -7.608 -7.696 -7.782 -7.868 -7.953 -8.036 -8.118 -8.199 -8.277 -8.352 -8.424 -8.491 -8.553 -8.609 -8.656 -4.071 -4.242 -4.420 -4.597 -4.769 -4.940 -5.111 -5.283 -5.459 -5.640 -5.828 -6.021 -6.219 -6.422 -6.628 -7.050 -7.136 -7.222 -7.309 -7.396 -7.483 -7.570 -7.657 -7.744 -7.830 -7.916 -8.000 -8.083 -8.164 -8.243 -8.319 -8.392 -8.461 -8.524 -8.582 -8.633 -4.075 -4.240 -4.412 -4.581 -4.745 -4.906 -5.064 -5.222 -5.380 -5.541 -5.706 -5.874 -6.046 -6.220 -6.397 -6.759 -6.832 -6.907 -6.981 -7.057 -7.132 -7.209 -7.286 -7.364 -7.442 -7.521 -7.600 -7.680 -7.759 -7.839 -7.918 -7.997 -8.075 -8.152 -8.228 -8.303 -4.092 -4.247 -4.411 -4.572 -4.728 -4.880 -5.028 -5.174 -5.318 -5.464 -5.610 -5.759 -5.910 -6.063 -6.217 -6.530 -6.594 -6.658 -6.722 -6.787 -6.852 -6.918 -6.984 -7.051 -7.118 -7.186 -7.254 -7.323 -7.393 -7.463 -7.534 -7.605 -7.676 -7.748 -7.820 -7.892 -4.119 -4.261 -4.416 -4.569 -4.717 -4.861 -5.000 -5.136 -5.269 -5.401 -5.534 -5.667 -5.801 -5.936 -6.072 -6.346 -6.401 -6.457 -6.513 -6.569 -6.626 -6.683 -6.740 -6.798 -6.856 -6.914 -6.974 -7.033 -7.094 -7.155 -7.216 -7.278 -7.340 -7.404 -7.467 -7.532 -4.155 -4.280 -4.425 -4.570 -4.711 -4.847 -4.978 -5.105 -5.229 -5.351 -5.471 -5.591 -5.711 -5.831 -5.951 -6.194 -6.242 -6.291 -6.340 -6.390 -6.439 -6.489 -6.539 -6.589 -6.640 -6.691 -6.743 -6.795 -6.847 -6.900 -6.954 -7.008 -7.062 -7.118 -7.174 -7.230 -4.196 -4.304 -4.439 -4.576 -4.709 -4.838 -4.962 -5.081 -5.196 -5.309 -5.419 -5.528 -5.635 -5.743 -5.851 -6.066 -6.109 -6.152 -6.195 -6.239 -6.283 -6.326 -6.370 -6.415 -6.459 -6.504 -6.549 -6.595 -6.641 -6.688 -6.735 -6.782 -6.830 -6.879 -6.928 -6.977 -4.243 -4.332 -4.456 -4.585 -4.711 -4.832 -4.949 -5.061 -5.169 -5.274 -5.375 -5.474 -5.572 -5.669 -5.765 -5.957 -5.995 -6.034 -6.072 -6.111 -6.149 -6.188 -6.227 -6.266 -6.306 -6.345 -6.385 -6.426 -6.466 -6.508 -6.549 -6.591 -6.633 -6.676 -6.720 -6.764 -4.293 -4.363 -4.476 -4.596 -4.715 -4.830 -4.940 -5.046 -5.147 -5.244 -5.338 -5.429 -5.518 -5.605 -5.692 -5.863 -5.897 -5.932 -5.966 -6.000 -6.035 -6.069 -6.104 -6.139 -6.174 -6.209 -6.245 -6.280 -6.317 -6.353 -6.390 -6.427 -6.465 -6.503 -6.542 -6.582 99999.999 -4.396 -4.498 -4.610 -4.722 -4.831 -4.935 -5.034 -5.129 -5.220 -5.307 -5.391 -5.472 -5.551 -5.629 -5.782 -5.813 -5.843 -5.874 -5.905 -5.935 -5.966 -5.997 -6.028 -6.059 -6.091 -6.123 -6.155 -6.187 -6.220 -6.253 -6.286 -6.320 -6.354 -6.389 -6.425 TmCl+2 TmCl+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Migdisov09 2 1.000 3 1.000 63 -0.757 -0.712 -0.771 -0.890 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.757 -0.712 -0.771 -0.890 -1.051 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.757 -0.712 -0.771 -0.890 -1.051 -1.244 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.757 -0.711 -0.770 -0.890 -1.051 -1.244 -1.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.757 -0.711 -0.770 -0.890 -1.050 -1.243 -1.463 -1.709 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.756 -0.711 -0.770 -0.889 -1.050 -1.242 -1.462 -1.707 -1.977 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.755 -0.710 -0.769 -0.888 -1.049 -1.241 -1.460 -1.705 -1.974 -2.273 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.754 -0.709 -0.768 -0.887 -1.047 -1.239 -1.458 -1.701 -1.970 -2.267 -2.602 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.753 -0.708 -0.767 -0.885 -1.045 -1.236 -1.454 -1.697 -1.964 -2.259 -2.591 -2.973 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.751 -0.706 -0.765 -0.883 -1.042 -1.233 -1.450 -1.691 -1.957 -2.249 -2.576 -2.951 -3.397 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.748 -0.704 -0.763 -0.881 -1.039 -1.229 -1.444 -1.684 -1.947 -2.236 -2.558 -2.924 -3.355 -3.892 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.746 -0.702 -0.760 -0.877 -1.035 -1.223 -1.437 -1.675 -1.935 -2.220 -2.535 -2.891 -3.304 -3.809 -4.520 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.743 -0.700 -0.758 -0.875 -1.032 -1.219 -1.432 -1.668 -1.926 -2.208 -2.518 -2.866 -3.267 -3.750 -4.416 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.741 -0.697 -0.755 -0.871 -1.027 -1.213 -1.424 -1.658 -1.913 -2.191 -2.495 -2.833 -3.217 -3.672 -4.280 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.738 -0.695 -0.752 -0.868 -1.023 -1.208 -1.417 -1.648 -1.901 -2.175 -2.473 -2.802 -3.171 -3.600 -4.158 -4.792 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.736 -0.693 -0.750 -0.865 -1.019 -1.203 -1.410 -1.639 -1.889 -2.159 -2.452 -2.773 -3.128 -3.535 -4.049 -4.632 -4.868 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.734 -0.691 -0.748 -0.862 -1.015 -1.197 -1.404 -1.631 -1.878 -2.145 -2.433 -2.745 -3.089 -3.476 -3.951 -4.552 -4.742 -4.972 -5.319 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.733 -0.690 -0.746 -0.859 -1.011 -1.193 -1.397 -1.622 -1.867 -2.130 -2.414 -2.720 -3.052 -3.421 -3.863 -4.479 -4.656 -4.849 -5.075 -5.369 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.731 -0.688 -0.744 -0.857 -1.008 -1.188 -1.391 -1.614 -1.856 -2.117 -2.396 -2.695 -3.018 -3.372 -3.784 -4.413 -4.581 -4.760 -4.953 -5.174 -5.440 -5.778 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.730 -0.687 -0.742 -0.854 -1.004 -1.183 -1.385 -1.607 -1.846 -2.104 -2.379 -2.672 -2.987 -3.327 -3.713 -4.352 -4.514 -4.683 -4.861 -5.054 -5.269 -5.517 -5.811 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.729 -0.686 -0.740 -0.852 -1.001 -1.179 -1.379 -1.599 -1.837 -2.091 -2.363 -2.651 -2.957 -3.286 -3.651 -4.297 -4.452 -4.614 -4.783 -4.961 -5.152 -5.361 -5.595 -5.860 -6.159 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.728 -0.685 -0.739 -0.849 -0.998 -1.175 -1.374 -1.592 -1.827 -2.079 -2.347 -2.631 -2.930 -3.249 -3.596 -4.245 -4.396 -4.551 -4.712 -4.881 -5.058 -5.247 -5.450 -5.671 -5.915 -6.181 -6.469 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.728 -0.684 -0.737 -0.847 -0.995 -1.171 -1.368 -1.585 -1.818 -2.068 -2.332 -2.611 -2.905 -3.215 -3.547 -4.197 -4.343 -4.494 -4.649 -4.810 -4.977 -5.153 -5.338 -5.535 -5.746 -5.972 -6.213 -6.468 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.728 -0.683 -0.736 -0.845 -0.992 -1.167 -1.363 -1.578 -1.810 -2.056 -2.318 -2.593 -2.882 -3.184 -3.504 -4.152 -4.294 -4.440 -4.590 -4.745 -4.905 -5.071 -5.245 -5.426 -5.617 -5.818 -6.030 -6.252 -6.482 -6.717 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.727 -0.683 -0.735 -0.844 -0.990 -1.163 -1.358 -1.572 -1.801 -2.046 -2.304 -2.576 -2.860 -3.156 -3.467 -4.110 -4.248 -4.390 -4.536 -4.686 -4.840 -4.999 -5.163 -5.334 -5.512 -5.696 -5.888 -6.088 -6.293 -6.503 -6.716 99999.999 99999.999 99999.999 99999.999 99999.999 -0.728 -0.682 -0.734 -0.842 -0.987 -1.160 -1.354 -1.565 -1.793 -2.035 -2.291 -2.560 -2.839 -3.131 -3.434 -4.070 -4.205 -4.343 -4.485 -4.630 -4.779 -4.933 -5.090 -5.253 -5.421 -5.594 -5.772 -5.956 -6.144 -6.336 -6.531 -6.725 -6.917 99999.999 99999.999 99999.999 -0.728 -0.682 -0.733 -0.840 -0.985 -1.156 -1.349 -1.559 -1.785 -2.025 -2.279 -2.544 -2.820 -3.107 -3.404 -4.032 -4.164 -4.299 -4.437 -4.579 -4.723 -4.872 -5.024 -5.180 -5.340 -5.504 -5.673 -5.846 -6.022 -6.200 -6.381 -6.561 -6.741 -6.917 99999.999 99999.999 -0.728 -0.682 -0.732 -0.839 -0.983 -1.153 -1.344 -1.553 -1.777 -2.016 -2.266 -2.529 -2.802 -3.085 -3.378 -3.995 -4.125 -4.258 -4.392 -4.530 -4.671 -4.815 -4.962 -5.113 -5.267 -5.425 -5.586 -5.750 -5.916 -6.085 -6.255 -6.426 -6.595 -6.762 -6.925 -7.083 -0.729 -0.682 -0.732 -0.838 -0.980 -1.150 -1.340 -1.548 -1.770 -2.006 -2.255 -2.515 -2.785 -3.064 -3.353 -3.961 -4.088 -4.218 -4.350 -4.484 -4.622 -4.762 -4.905 -5.051 -5.200 -5.352 -5.507 -5.664 -5.823 -5.985 -6.147 -6.309 -6.471 -6.630 -6.787 -6.939 -0.746 -0.689 -0.731 -0.830 -0.964 -1.125 -1.305 -1.500 -1.707 -1.926 -2.155 -2.393 -2.638 -2.890 -3.148 -3.682 -3.791 -3.902 -4.014 -4.127 -4.242 -4.358 -4.475 -4.593 -4.713 -4.834 -4.956 -5.079 -5.203 -5.328 -5.454 -5.580 -5.707 -5.834 -5.960 -6.086 -0.777 -0.707 -0.740 -0.830 -0.957 -1.110 -1.280 -1.465 -1.661 -1.866 -2.080 -2.300 -2.527 -2.759 -2.995 -3.479 -3.578 -3.677 -3.777 -3.878 -3.979 -4.082 -4.184 -4.288 -4.392 -4.498 -4.604 -4.710 -4.818 -4.926 -5.034 -5.144 -5.254 -5.364 -5.475 -5.586 -0.820 -0.733 -0.756 -0.838 -0.957 -1.102 -1.264 -1.440 -1.626 -1.820 -2.022 -2.229 -2.441 -2.657 -2.876 -3.323 -3.414 -3.505 -3.596 -3.688 -3.780 -3.873 -3.967 -4.060 -4.155 -4.249 -4.345 -4.440 -4.537 -4.633 -4.731 -4.829 -4.927 -5.026 -5.125 -5.225 -0.872 -0.766 -0.778 -0.851 -0.963 -1.100 -1.255 -1.423 -1.600 -1.785 -1.976 -2.172 -2.372 -2.575 -2.780 -3.198 -3.282 -3.367 -3.452 -3.537 -3.623 -3.708 -3.795 -3.881 -3.968 -4.055 -4.142 -4.230 -4.318 -4.407 -4.496 -4.585 -4.675 -4.765 -4.856 -4.947 -0.931 -0.805 -0.805 -0.869 -0.973 -1.103 -1.251 -1.412 -1.582 -1.759 -1.941 -2.127 -2.316 -2.508 -2.702 -3.096 -3.175 -3.254 -3.334 -3.414 -3.494 -3.574 -3.655 -3.735 -3.816 -3.897 -3.979 -4.060 -4.142 -4.225 -4.307 -4.390 -4.473 -4.557 -4.641 -4.725 -0.997 -0.848 -0.836 -0.891 -0.988 -1.111 -1.252 -1.406 -1.569 -1.739 -1.913 -2.091 -2.271 -2.454 -2.638 -3.011 -3.086 -3.161 -3.236 -3.311 -3.387 -3.463 -3.538 -3.614 -3.691 -3.767 -3.843 -3.920 -3.997 -4.074 -4.152 -4.229 -4.307 -4.386 -4.464 -4.543 -1.067 -0.895 -0.870 -0.917 -1.005 -1.122 -1.257 -1.404 -1.561 -1.724 -1.891 -2.062 -2.235 -2.409 -2.585 -2.940 -3.011 -3.082 -3.154 -3.225 -3.297 -3.369 -3.441 -3.513 -3.585 -3.657 -3.730 -3.802 -3.875 -3.948 -4.022 -4.095 -4.169 -4.243 -4.317 -4.392 99999.999 -0.945 -0.908 -0.945 -1.026 -1.136 -1.264 -1.406 -1.557 -1.714 -1.875 -2.039 -2.205 -2.372 -2.541 -2.880 -2.948 -3.016 -3.084 -3.152 -3.221 -3.289 -3.358 -3.427 -3.495 -3.564 -3.633 -3.703 -3.772 -3.842 -3.911 -3.981 -4.052 -4.122 -4.193 -4.264 TmCl2+ TmCl2+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Migdisov09 2 2.000 3 1.000 63 -0.385 -0.463 -0.672 -0.955 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.385 -0.463 -0.672 -0.955 -1.288 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.385 -0.463 -0.672 -0.954 -1.287 -1.661 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.380 -0.459 -0.668 -0.950 -1.281 -1.654 -2.064 -2.512 -3.002 -3.543 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.378 -0.456 -0.665 -0.947 -1.278 -1.650 -2.058 -2.505 -2.993 -3.531 -4.139 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.374 -0.453 -0.662 -0.943 -1.273 -1.644 -2.051 -2.495 -2.980 -3.514 -4.115 -4.816 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.369 -0.449 -0.657 -0.937 -1.267 -1.636 -2.041 -2.483 -2.964 -3.492 -4.085 -4.771 -5.595 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.363 -0.443 -0.651 -0.931 -1.258 -1.626 -2.028 -2.467 -2.943 -3.465 -4.047 -4.715 -5.509 -6.508 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.355 -0.436 -0.644 -0.922 -1.248 -1.613 -2.012 -2.446 -2.917 -3.430 -4.000 -4.647 -5.405 -6.343 -7.666 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.349 -0.431 -0.638 -0.916 -1.241 -1.603 -2.000 -2.431 -2.897 -3.404 -3.965 -4.596 -5.329 -6.224 -7.473 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.342 -0.424 -0.631 -0.907 -1.230 -1.590 -1.984 -2.410 -2.870 -3.369 -3.916 -4.527 -5.227 -6.065 -7.207 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.335 -0.418 -0.624 -0.898 -1.220 -1.577 -1.967 -2.389 -2.844 -3.335 -3.870 -4.463 -5.132 -5.919 -6.963 -7.559 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.328 -0.412 -0.617 -0.890 -1.210 -1.565 -1.952 -2.369 -2.818 -3.302 -3.826 -4.402 -5.044 -5.786 -6.742 -7.549 -7.840 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.323 -0.406 -0.611 -0.883 -1.200 -1.553 -1.937 -2.350 -2.794 -3.271 -3.785 -4.345 -4.962 -5.664 -6.542 -7.461 -7.749 -8.077 -8.591 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.317 -0.400 -0.604 -0.875 -1.191 -1.541 -1.922 -2.332 -2.770 -3.240 -3.745 -4.291 -4.886 -5.552 -6.361 -7.348 -7.636 -7.939 -8.282 -8.737 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.312 -0.396 -0.599 -0.868 -1.182 -1.530 -1.908 -2.314 -2.748 -3.211 -3.707 -4.240 -4.816 -5.450 -6.200 -7.235 -7.517 -7.810 -8.120 -8.469 -8.894 -9.448 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.308 -0.391 -0.593 -0.861 -1.173 -1.519 -1.894 -2.296 -2.726 -3.184 -3.671 -4.192 -4.750 -5.357 -6.055 -7.127 -7.401 -7.684 -7.980 -8.295 -8.643 -9.047 -9.533 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.304 -0.387 -0.588 -0.855 -1.165 -1.509 -1.881 -2.280 -2.705 -3.157 -3.637 -4.147 -4.690 -5.273 -5.927 -7.024 -7.290 -7.565 -7.849 -8.147 -8.463 -8.807 -9.193 -9.634 -10.141 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.301 -0.383 -0.583 -0.849 -1.157 -1.499 -1.868 -2.263 -2.684 -3.131 -3.604 -4.104 -4.633 -5.196 -5.813 -6.926 -7.186 -7.452 -7.727 -8.012 -8.309 -8.624 -8.962 -9.331 -9.738 -10.188 -10.679 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.298 -0.379 -0.578 -0.843 -1.150 -1.489 -1.856 -2.248 -2.664 -3.106 -3.572 -4.064 -4.581 -5.126 -5.714 -6.834 -7.087 -7.346 -7.612 -7.886 -8.171 -8.467 -8.778 -9.109 -9.462 -9.842 -10.250 -10.683 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.295 -0.376 -0.574 -0.837 -1.142 -1.480 -1.844 -2.233 -2.645 -3.082 -3.542 -4.026 -4.532 -5.063 -5.626 -6.747 -6.993 -7.245 -7.504 -7.769 -8.043 -8.326 -8.620 -8.926 -9.248 -9.586 -9.943 -10.317 -10.706 -11.105 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.293 -0.373 -0.570 -0.832 -1.135 -1.471 -1.832 -2.218 -2.627 -3.058 -3.513 -3.989 -4.487 -5.005 -5.549 -6.664 -6.904 -7.150 -7.402 -7.659 -7.924 -8.196 -8.477 -8.767 -9.068 -9.380 -9.704 -10.040 -10.387 -10.741 -11.099 99999.999 99999.999 99999.999 99999.999 99999.999 -0.292 -0.370 -0.566 -0.826 -1.129 -1.462 -1.821 -2.204 -2.609 -3.036 -3.485 -3.955 -4.444 -4.952 -5.481 -6.585 -6.820 -7.060 -7.305 -7.555 -7.812 -8.075 -8.346 -8.623 -8.909 -9.203 -9.506 -9.816 -10.134 -10.457 -10.783 -11.108 -11.429 99999.999 99999.999 99999.999 -0.290 -0.368 -0.563 -0.822 -1.122 -1.454 -1.810 -2.190 -2.591 -3.014 -3.458 -3.922 -4.404 -4.903 -5.421 -6.510 -6.740 -6.974 -7.213 -7.457 -7.707 -7.962 -8.224 -8.491 -8.765 -9.046 -9.333 -9.625 -9.923 -10.225 -10.528 -10.830 -11.129 -11.420 99999.999 99999.999 -0.289 -0.366 -0.560 -0.817 -1.116 -1.445 -1.800 -2.176 -2.574 -2.993 -3.432 -3.890 -4.366 -4.858 -5.366 -6.438 -6.663 -6.892 -7.126 -7.364 -7.607 -7.856 -8.109 -8.368 -8.633 -8.902 -9.177 -9.456 -9.739 -10.025 -10.312 -10.597 -10.880 -11.156 -11.424 -11.681 -0.289 -0.364 -0.556 -0.813 -1.110 -1.437 -1.789 -2.163 -2.558 -2.973 -3.407 -3.860 -4.329 -4.815 -5.315 -6.369 -6.590 -6.814 -7.043 -7.275 -7.513 -7.755 -8.001 -8.253 -8.509 -8.770 -9.035 -9.303 -9.575 -9.848 -10.123 -10.396 -10.666 -10.932 -11.190 -11.439 -0.304 -0.361 -0.538 -0.780 -1.062 -1.372 -1.703 -2.052 -2.417 -2.797 -3.192 -3.600 -4.020 -4.451 -4.892 -5.804 -5.991 -6.181 -6.373 -6.566 -6.763 -6.961 -7.162 -7.365 -7.570 -7.778 -7.988 -8.200 -8.413 -8.628 -8.844 -9.061 -9.279 -9.496 -9.712 -9.927 -0.350 -0.379 -0.539 -0.766 -1.033 -1.327 -1.640 -1.969 -2.310 -2.663 -3.027 -3.401 -3.784 -4.175 -4.573 -5.387 -5.553 -5.720 -5.889 -6.059 -6.230 -6.402 -6.576 -6.751 -6.928 -7.106 -7.286 -7.467 -7.650 -7.834 -8.019 -8.206 -8.393 -8.582 -8.771 -8.961 -0.420 -0.416 -0.556 -0.767 -1.019 -1.298 -1.595 -1.906 -2.228 -2.558 -2.898 -3.244 -3.597 -3.957 -4.321 -5.062 -5.212 -5.363 -5.514 -5.667 -5.820 -5.975 -6.130 -6.286 -6.443 -6.601 -6.760 -6.920 -7.082 -7.244 -7.408 -7.572 -7.738 -7.904 -8.072 -8.241 -0.509 -0.467 -0.585 -0.779 -1.016 -1.281 -1.564 -1.859 -2.164 -2.476 -2.794 -3.118 -3.447 -3.780 -4.117 -4.799 -4.937 -5.075 -5.213 -5.353 -5.492 -5.633 -5.774 -5.915 -6.058 -6.201 -6.344 -6.489 -6.635 -6.781 -6.928 -7.076 -7.225 -7.375 -7.526 -7.678 -0.613 -0.530 -0.625 -0.801 -1.024 -1.275 -1.544 -1.825 -2.115 -2.411 -2.711 -3.016 -3.324 -3.635 -3.949 -4.582 -4.709 -4.837 -4.965 -5.094 -5.223 -5.352 -5.482 -5.612 -5.743 -5.874 -6.006 -6.138 -6.271 -6.405 -6.539 -6.674 -6.810 -6.947 -7.085 -7.223 -0.730 -0.602 -0.673 -0.832 -1.040 -1.277 -1.533 -1.802 -2.078 -2.360 -2.645 -2.933 -3.223 -3.515 -3.809 -4.401 -4.519 -4.639 -4.758 -4.878 -4.997 -5.117 -5.238 -5.359 -5.480 -5.601 -5.724 -5.846 -5.969 -6.093 -6.217 -6.342 -6.467 -6.594 -6.721 -6.848 -0.856 -0.682 -0.729 -0.870 -1.063 -1.287 -1.531 -1.787 -2.051 -2.320 -2.591 -2.865 -3.139 -3.415 -3.692 -4.247 -4.359 -4.471 -4.582 -4.694 -4.807 -4.919 -5.032 -5.144 -5.258 -5.371 -5.485 -5.600 -5.714 -5.830 -5.946 -6.062 -6.179 -6.297 -6.415 -6.534 99999.999 -0.769 -0.791 -0.915 -1.093 -1.304 -1.535 -1.780 -2.032 -2.289 -2.548 -2.809 -3.070 -3.331 -3.593 -4.117 -4.222 -4.327 -4.433 -4.538 -4.644 -4.749 -4.855 -4.961 -5.068 -5.175 -5.282 -5.389 -5.497 -5.606 -5.714 -5.824 -5.934 -6.044 -6.156 -6.268 YbF+2 YbF+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Migdisov09 2 1.000 23 1.000 64 -4.203 -4.369 -4.549 -4.731 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.203 -4.369 -4.549 -4.731 -4.914 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.203 -4.369 -4.549 -4.731 -4.914 -5.101 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-7.301 -7.382 -7.462 -7.541 -7.618 -7.693 -7.766 -7.838 -7.908 -7.977 -8.045 -8.111 -8.175 -8.236 -8.292 99999.999 99999.999 99999.999 -4.162 -4.334 -4.508 -4.676 -4.840 -5.000 -5.161 -5.323 -5.489 -5.662 -5.841 -6.027 -6.219 -6.415 -6.615 -7.020 -7.101 -7.183 -7.265 -7.346 -7.427 -7.507 -7.586 -7.663 -7.739 -7.814 -7.886 -7.957 -8.025 -8.091 -8.155 -8.215 -8.270 -8.319 99999.999 99999.999 -4.162 -4.334 -4.507 -4.674 -4.837 -4.996 -5.155 -5.315 -5.480 -5.650 -5.826 -6.009 -6.198 -6.390 -6.586 -6.986 -7.067 -7.148 -7.229 -7.310 -7.391 -7.471 -7.551 -7.630 -7.708 -7.784 -7.858 -7.931 -8.001 -8.069 -8.133 -8.194 -8.250 -8.301 -8.344 -8.380 -4.162 -4.333 -4.505 -4.672 -4.834 -4.992 -5.150 -5.308 -5.471 -5.638 -5.812 -5.992 -6.177 -6.367 -6.559 -6.953 -7.033 -7.113 -7.193 -7.274 -7.354 -7.435 -7.515 -7.594 -7.673 -7.750 -7.826 -7.901 -7.973 -8.042 -8.109 -8.171 -8.229 -8.282 -8.329 -8.369 -4.167 -4.333 -4.498 -4.658 -4.811 -4.959 -5.103 -5.247 -5.392 -5.539 -5.690 -5.845 -6.003 -6.164 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Radius(Å) = 2.75 Alk. = 0.000 Ref: Migdisov09 2 1.000 3 1.000 64 -0.749 -0.690 -0.733 -0.837 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.749 -0.690 -0.733 -0.837 -0.982 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.749 -0.690 -0.733 -0.836 -0.982 -1.159 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-3.181 -3.582 -4.180 -4.341 -4.511 -4.695 -4.903 -5.155 -5.477 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.724 -0.666 -0.706 -0.802 -0.936 -1.099 -1.286 -1.493 -1.719 -1.963 -2.225 -2.506 -2.808 -3.136 -3.511 -4.122 -4.276 -4.438 -4.609 -4.792 -4.996 -5.233 -5.513 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.723 -0.665 -0.704 -0.799 -0.933 -1.095 -1.280 -1.485 -1.709 -1.950 -2.208 -2.484 -2.779 -3.095 -3.449 -4.067 -4.217 -4.372 -4.534 -4.704 -4.887 -5.086 -5.309 -5.563 -5.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.722 -0.665 -0.703 -0.797 -0.930 -1.091 -1.275 -1.478 -1.700 -1.938 -2.193 -2.464 -2.751 -3.058 -3.393 -4.017 -4.162 -4.311 -4.466 -4.628 -4.797 -4.978 -5.172 -5.384 -5.617 -5.873 -6.150 99999.999 99999.999 99999.999 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-4.244 -4.384 -4.527 -4.675 -4.827 -4.984 -5.145 -5.312 -5.483 -5.660 -5.841 -6.025 -6.212 -6.398 -6.583 99999.999 99999.999 99999.999 -0.722 -0.662 -0.698 -0.789 -0.917 -1.073 -1.250 -1.446 -1.658 -1.884 -2.124 -2.377 -2.641 -2.916 -3.201 -3.805 -3.933 -4.063 -4.197 -4.333 -4.472 -4.615 -4.762 -4.912 -5.067 -5.225 -5.387 -5.553 -5.723 -5.894 -6.068 -6.241 -6.413 -6.582 99999.999 99999.999 -0.723 -0.662 -0.697 -0.787 -0.915 -1.070 -1.246 -1.440 -1.650 -1.874 -2.112 -2.362 -2.623 -2.894 -3.175 -3.769 -3.894 -4.022 -4.152 -4.285 -4.421 -4.560 -4.702 -4.847 -4.996 -5.148 -5.303 -5.461 -5.621 -5.783 -5.947 -6.110 -6.273 -6.433 -6.589 -6.740 -0.724 -0.663 -0.697 -0.786 -0.913 -1.067 -1.242 -1.434 -1.643 -1.865 -2.101 -2.348 -2.606 -2.873 -3.150 -3.735 -3.858 -3.983 -4.110 -4.240 -4.372 -4.508 -4.646 -4.786 -4.930 -5.077 -5.226 -5.377 -5.531 -5.686 -5.842 -5.998 -6.153 -6.306 -6.456 -6.602 -0.742 -0.671 -0.697 -0.779 -0.898 -1.042 -1.207 -1.387 -1.580 -1.785 -2.001 -2.226 -2.459 -2.699 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Radius(Å) = 2.31 Alk. = 0.000 Ref: Migdisov09 2 2.000 3 1.000 64 -0.359 -0.441 -0.644 -0.914 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.359 -0.441 -0.644 -0.914 -1.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.359 -0.441 -0.644 -0.913 -1.230 -1.585 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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Radius(Å) = 2.75 Alk. = 0.000 Ref: Migdisov09 2 1.000 23 1.000 65 -4.058 -4.244 -4.441 -4.638 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.058 -4.244 -4.441 -4.638 -4.834 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.058 -4.244 -4.441 -4.638 -4.834 -5.031 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.051 -4.239 -4.436 -4.631 -4.825 -5.019 -5.217 -5.424 -5.644 -5.883 -6.152 -6.467 -6.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.049 -4.237 -4.434 -4.629 -4.821 -5.014 -5.211 -5.416 -5.633 -5.868 -6.131 -6.436 -6.805 -7.267 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.046 -4.234 -4.431 -4.625 -4.817 -5.008 -5.203 -5.406 -5.619 -5.849 -6.105 -6.399 -6.748 -7.184 -7.774 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-6.697 -7.032 -7.304 -7.377 -7.437 -7.483 -7.519 -7.566 -7.658 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.026 -4.218 -4.412 -4.601 -4.784 -4.964 -5.145 -5.328 -5.518 -5.717 -5.926 -6.148 -6.386 -6.646 -6.951 -7.274 -7.357 -7.432 -7.500 -7.560 -7.616 -7.681 -7.775 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.024 -4.217 -4.411 -4.598 -4.781 -4.960 -5.138 -5.320 -5.507 -5.702 -5.907 -6.123 -6.352 -6.599 -6.879 -7.240 -7.326 -7.409 -7.488 -7.561 -7.631 -7.700 -7.777 -7.872 -7.995 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.023 -4.216 -4.409 -4.596 -4.777 -4.955 -5.132 -5.311 -5.496 -5.688 -5.889 -6.100 -6.321 -6.556 -6.815 -7.203 -7.291 -7.378 -7.462 -7.543 -7.621 -7.697 -7.775 -7.858 -7.953 -8.065 -8.196 99999.999 99999.999 99999.999 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-7.316 -7.403 -7.491 -7.578 -7.665 -7.751 -7.837 -7.923 -8.008 -8.094 -8.180 -8.265 -8.350 -8.432 -8.510 99999.999 99999.999 99999.999 -4.018 -4.211 -4.401 -4.585 -4.761 -4.933 -5.103 -5.273 -5.446 -5.625 -5.809 -6.000 -6.195 -6.396 -6.601 -7.019 -7.105 -7.191 -7.277 -7.364 -7.451 -7.538 -7.625 -7.712 -7.798 -7.884 -7.970 -8.054 -8.138 -8.221 -8.302 -8.380 -8.454 -8.523 99999.999 99999.999 -4.018 -4.210 -4.400 -4.583 -4.758 -4.929 -5.097 -5.266 -5.437 -5.613 -5.795 -5.982 -6.175 -6.372 -6.572 -6.984 -7.069 -7.154 -7.239 -7.325 -7.411 -7.498 -7.585 -7.671 -7.758 -7.844 -7.929 -8.014 -8.097 -8.179 -8.258 -8.334 -8.407 -8.475 -8.537 -8.591 -4.017 -4.209 -4.399 -4.581 -4.756 -4.925 -5.092 -5.259 -5.428 -5.602 -5.781 -5.966 -6.155 -6.348 -6.545 -6.951 -7.034 -7.117 -7.201 -7.286 -7.372 -7.458 -7.544 -7.630 -7.716 -7.802 -7.887 -7.972 -8.055 -8.136 -8.215 -8.292 -8.364 -8.432 -8.495 -8.551 -4.023 -4.209 -4.392 -4.567 -4.733 -4.892 -5.047 -5.200 -5.352 -5.506 -5.662 -5.822 -5.984 -6.149 -6.317 -6.660 -6.730 -6.800 -6.872 -6.943 -7.016 -7.089 -7.163 -7.238 -7.313 -7.389 -7.466 -7.543 -7.620 -7.697 -7.774 -7.851 -7.927 -8.002 -8.077 -8.150 -4.041 -4.217 -4.393 -4.560 -4.718 -4.868 -5.013 -5.154 -5.292 -5.430 -5.569 -5.709 -5.851 -5.995 -6.139 -6.434 -6.493 -6.553 -6.614 -6.675 -6.736 -6.798 -6.861 -6.924 -6.988 -7.052 -7.117 -7.183 -7.249 -7.316 -7.383 -7.451 -7.519 -7.588 -7.657 -7.726 -4.069 -4.232 -4.399 -4.558 -4.708 -4.850 -4.986 -5.117 -5.245 -5.370 -5.495 -5.619 -5.744 -5.870 -5.997 -6.252 -6.304 -6.355 -6.407 -6.460 -6.513 -6.566 -6.619 -6.673 -6.728 -6.783 -6.838 -6.894 -6.951 -7.008 -7.065 -7.124 -7.183 -7.242 -7.302 -7.363 -4.106 -4.253 -4.410 -4.560 -4.703 -4.838 -4.966 -5.088 -5.206 -5.321 -5.434 -5.545 -5.656 -5.768 -5.879 -6.102 -6.147 -6.192 -6.238 -6.283 -6.329 -6.375 -6.421 -6.467 -6.514 -6.562 -6.609 -6.658 -6.706 -6.756 -6.805 -6.856 -6.906 -6.958 -7.010 -7.063 -4.148 -4.278 -4.424 -4.567 -4.702 -4.830 -4.951 -5.065 -5.175 -5.281 -5.383 -5.484 -5.583 -5.682 -5.780 -5.977 -6.016 -6.056 -6.095 -6.135 -6.175 -6.215 -6.255 -6.295 -6.336 -6.377 -6.419 -6.461 -6.503 -6.546 -6.589 -6.632 -6.677 -6.721 -6.767 -6.813 -4.196 -4.307 -4.442 -4.577 -4.705 -4.826 -4.940 -5.047 -5.149 -5.247 -5.341 -5.432 -5.522 -5.610 -5.697 -5.870 -5.905 -5.939 -5.974 -6.009 -6.044 -6.079 -6.114 -6.149 -6.185 -6.221 -6.257 -6.294 -6.331 -6.368 -6.406 -6.444 -6.483 -6.522 -6.561 -6.602 -4.248 -4.338 -4.463 -4.590 -4.710 -4.825 -4.932 -5.033 -5.128 -5.219 -5.305 -5.389 -5.469 -5.548 -5.625 -5.779 -5.809 -5.840 -5.870 -5.901 -5.931 -5.962 -5.993 -6.024 -6.056 -6.087 -6.119 -6.151 -6.183 -6.216 -6.249 -6.283 -6.317 -6.352 -6.387 -6.422 99999.999 -4.372 -4.487 -4.605 -4.718 -4.826 -4.927 -5.022 -5.112 -5.196 -5.275 -5.351 -5.424 -5.495 -5.564 -5.700 -5.726 -5.753 -5.780 -5.807 -5.834 -5.861 -5.888 -5.916 -5.943 -5.971 -5.999 -6.028 -6.056 -6.085 -6.114 -6.144 -6.174 -6.205 -6.236 -6.268 LuCl+2 LuCl+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: Migdisov09 2 1.000 3 1.000 65 -0.807 -0.668 -0.650 -0.705 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.807 -0.668 -0.650 -0.705 -0.812 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.807 -0.668 -0.650 -0.705 -0.812 -0.958 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.807 -0.668 -0.650 -0.705 -0.811 -0.957 -1.136 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.807 -0.667 -0.649 -0.705 -0.811 -0.957 -1.136 -1.344 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.806 -0.667 -0.649 -0.704 -0.810 -0.956 -1.134 -1.343 -1.580 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.806 -0.666 -0.648 -0.703 -0.809 -0.955 -1.133 -1.341 -1.577 -1.846 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.805 -0.665 -0.647 -0.702 -0.808 -0.953 -1.130 -1.337 -1.573 -1.840 -2.147 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.803 -0.664 -0.646 -0.701 -0.806 -0.950 -1.127 -1.333 -1.568 -1.833 -2.136 -2.492 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.801 -0.663 -0.644 -0.699 -0.804 -0.947 -1.123 -1.328 -1.560 -1.823 -2.122 -2.471 -2.895 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.799 -0.661 -0.642 -0.696 -0.800 -0.943 -1.118 -1.321 -1.551 -1.810 -2.105 -2.445 -2.853 -3.376 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.796 -0.658 -0.640 -0.693 -0.796 -0.938 -1.111 -1.312 -1.540 -1.795 -2.083 -2.413 -2.803 -3.291 -4.015 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.794 -0.657 -0.638 -0.691 -0.793 -0.934 -1.106 -1.305 -1.531 -1.783 -2.067 -2.390 -2.767 -3.232 -3.893 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.792 -0.654 -0.635 -0.687 -0.789 -0.929 -1.099 -1.296 -1.519 -1.767 -2.045 -2.358 -2.719 -3.154 -3.748 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.790 -0.652 -0.633 -0.684 -0.785 -0.924 -1.092 -1.288 -1.507 -1.752 -2.024 -2.328 -2.675 -3.085 -3.625 -4.862 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.788 -0.650 -0.631 -0.682 -0.782 -0.919 -1.086 -1.279 -1.496 -1.738 -2.004 -2.301 -2.634 -3.022 -3.517 -4.322 -4.735 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.786 -0.649 -0.628 -0.679 -0.778 -0.914 -1.080 -1.271 -1.486 -1.724 -1.985 -2.274 -2.596 -2.964 -3.421 -4.152 -4.414 -4.763 -5.289 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.784 -0.647 -0.627 -0.676 -0.774 -0.909 -1.074 -1.263 -1.476 -1.710 -1.968 -2.250 -2.561 -2.912 -3.336 -4.038 -4.254 -4.507 -4.821 -5.238 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.783 -0.646 -0.625 -0.674 -0.771 -0.905 -1.068 -1.256 -1.466 -1.697 -1.951 -2.227 -2.529 -2.865 -3.260 -3.947 -4.140 -4.354 -4.599 -4.890 -5.248 -5.694 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.782 -0.645 -0.623 -0.672 -0.768 -0.901 -1.062 -1.248 -1.456 -1.685 -1.934 -2.205 -2.499 -2.822 -3.193 -3.871 -4.049 -4.241 -4.453 -4.690 -4.963 -5.283 -5.661 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.781 -0.644 -0.622 -0.669 -0.765 -0.897 -1.057 -1.241 -1.447 -1.673 -1.919 -2.184 -2.471 -2.782 -3.133 -3.804 -3.971 -4.149 -4.340 -4.548 -4.778 -5.037 -5.329 -5.662 -6.035 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.781 -0.643 -0.620 -0.667 -0.762 -0.893 -1.052 -1.234 -1.438 -1.662 -1.904 -2.165 -2.445 -2.747 -3.080 -3.744 -3.903 -4.070 -4.247 -4.437 -4.642 -4.865 -5.110 -5.381 -5.680 -6.007 -6.359 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.781 -0.642 -0.619 -0.666 -0.760 -0.889 -1.047 -1.228 -1.430 -1.651 -1.890 -2.147 -2.421 -2.714 -3.033 -3.690 -3.841 -4.000 -4.167 -4.344 -4.531 -4.732 -4.948 -5.182 -5.435 -5.709 -6.002 -6.311 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.780 -0.642 -0.618 -0.664 -0.757 -0.886 -1.042 -1.222 -1.422 -1.641 -1.877 -2.129 -2.398 -2.685 -2.992 -3.640 -3.786 -3.938 -4.097 -4.263 -4.438 -4.623 -4.820 -5.029 -5.252 -5.490 -5.743 -6.009 -6.286 -6.571 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.780 -0.641 -0.617 -0.662 -0.755 -0.882 -1.037 -1.215 -1.414 -1.630 -1.864 -2.113 -2.378 -2.658 -2.956 -3.594 -3.735 -3.881 -4.033 -4.192 -4.357 -4.530 -4.713 -4.905 -5.107 -5.321 -5.545 -5.780 -6.025 -6.276 -6.532 99999.999 99999.999 99999.999 99999.999 99999.999 -0.781 -0.641 -0.616 -0.661 -0.752 -0.879 -1.033 -1.210 -1.406 -1.621 -1.851 -2.097 -2.358 -2.633 -2.923 -3.551 -3.688 -3.829 -3.975 -4.127 -4.285 -4.449 -4.620 -4.799 -4.987 -5.183 -5.387 -5.600 -5.820 -6.046 -6.277 -6.510 -6.743 99999.999 99999.999 99999.999 -0.781 -0.641 -0.616 -0.659 -0.750 -0.876 -1.029 -1.204 -1.399 -1.611 -1.840 -2.083 -2.339 -2.610 -2.894 -3.510 -3.643 -3.781 -3.922 -4.068 -4.219 -4.376 -4.539 -4.708 -4.883 -5.066 -5.255 -5.451 -5.653 -5.861 -6.072 -6.285 -6.499 -6.711 99999.999 99999.999 -0.782 -0.641 -0.615 -0.658 -0.748 -0.873 -1.024 -1.198 -1.392 -1.602 -1.828 -2.068 -2.322 -2.588 -2.868 -3.472 -3.602 -3.735 -3.873 -4.014 -4.160 -4.310 -4.466 -4.626 -4.793 -4.965 -5.143 -5.326 -5.514 -5.706 -5.902 -6.100 -6.298 -6.496 -6.692 -6.884 -0.783 -0.641 -0.614 -0.657 -0.746 -0.870 -1.020 -1.193 -1.385 -1.593 -1.817 -2.055 -2.305 -2.568 -2.843 -3.436 -3.563 -3.693 -3.826 -3.963 -4.104 -4.249 -4.399 -4.553 -4.712 -4.875 -5.044 -5.216 -5.393 -5.574 -5.758 -5.943 -6.129 -6.316 -6.500 -6.682 -0.800 -0.649 -0.615 -0.651 -0.732 -0.847 -0.988 -1.149 -1.326 -1.518 -1.723 -1.939 -2.165 -2.400 -2.643 -3.154 -3.261 -3.368 -3.478 -3.589 -3.702 -3.816 -3.932 -4.050 -4.170 -4.292 -4.415 -4.540 -4.666 -4.794 -4.923 -5.053 -5.184 -5.316 -5.448 -5.580 -0.832 -0.668 -0.625 -0.653 -0.727 -0.834 -0.966 -1.117 -1.283 -1.463 -1.653 -1.853 -2.060 -2.275 -2.497 -2.956 -3.051 -3.147 -3.243 -3.340 -3.439 -3.538 -3.638 -3.740 -3.842 -3.945 -4.050 -4.155 -4.261 -4.368 -4.476 -4.585 -4.695 -4.805 -4.916 -5.028 -0.876 -0.695 -0.642 -0.661 -0.728 -0.828 -0.952 -1.095 -1.252 -1.420 -1.599 -1.785 -1.979 -2.179 -2.384 -2.806 -2.892 -2.979 -3.067 -3.155 -3.244 -3.334 -3.424 -3.515 -3.606 -3.699 -3.791 -3.885 -3.979 -4.074 -4.169 -4.265 -4.362 -4.459 -4.557 -4.655 -0.928 -0.729 -0.664 -0.675 -0.735 -0.828 -0.945 -1.080 -1.229 -1.388 -1.557 -1.733 -1.915 -2.102 -2.294 -2.687 -2.767 -2.848 -2.929 -3.010 -3.092 -3.175 -3.258 -3.341 -3.425 -3.509 -3.594 -3.679 -3.765 -3.851 -3.938 -4.025 -4.113 -4.201 -4.289 -4.378 -0.988 -0.768 -0.692 -0.694 -0.746 -0.832 -0.942 -1.071 -1.212 -1.364 -1.524 -1.691 -1.863 -2.040 -2.221 -2.590 -2.665 -2.741 -2.817 -2.893 -2.969 -3.046 -3.124 -3.201 -3.279 -3.357 -3.436 -3.515 -3.595 -3.674 -3.755 -3.835 -3.916 -3.997 -4.079 -4.161 -1.053 -0.811 -0.724 -0.717 -0.761 -0.841 -0.945 -1.066 -1.201 -1.347 -1.499 -1.658 -1.822 -1.990 -2.161 -2.510 -2.581 -2.653 -2.724 -2.796 -2.868 -2.941 -3.013 -3.086 -3.160 -3.233 -3.307 -3.381 -3.455 -3.530 -3.605 -3.681 -3.757 -3.833 -3.909 -3.986 -1.124 -0.859 -0.759 -0.743 -0.780 -0.853 -0.950 -1.066 -1.195 -1.334 -1.480 -1.632 -1.788 -1.948 -2.111 -2.444 -2.511 -2.579 -2.647 -2.715 -2.784 -2.852 -2.921 -2.990 -3.060 -3.129 -3.199 -3.269 -3.340 -3.410 -3.481 -3.553 -3.624 -3.696 -3.768 -3.841 99999.999 -0.909 -0.797 -0.772 -0.802 -0.868 -0.959 -1.069 -1.193 -1.326 -1.466 -1.612 -1.762 -1.915 -2.070 -2.388 -2.453 -2.517 -2.582 -2.647 -2.712 -2.778 -2.843 -2.909 -2.975 -3.042 -3.108 -3.175 -3.242 -3.309 -3.377 -3.445 -3.513 -3.582 -3.650 -3.719 LuCl2+ LuCl2+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Migdisov09 2 2.000 3 1.000 65 -0.461 -0.434 -0.562 -0.780 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.461 -0.434 -0.562 -0.780 -1.061 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.460 -0.434 -0.562 -0.780 -1.060 -1.391 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.460 -0.433 -0.562 -0.779 -1.060 -1.391 -1.766 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.459 -0.433 -0.561 -0.779 -1.059 -1.389 -1.765 -2.184 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.458 -0.431 -0.560 -0.777 -1.057 -1.387 -1.762 -2.181 -2.646 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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Radius(Å) = 2.75 Alk. = 1.000 Ref: Ding2002 2 1.000 35 1.000 51 2.240 2.580 2.920 3.260 3.600 3.900 4.200 4.500 4.800 5.150 5.500 5.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.240 2.580 2.920 3.260 3.600 3.900 4.200 4.500 4.800 5.150 5.500 5.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.240 2.580 2.920 3.260 3.600 3.900 4.200 4.500 4.800 5.150 5.500 5.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 2.240 2.580 2.920 3.260 3.600 3.900 4.200 4.500 4.800 5.150 5.500 5.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.240 2.580 2.920 3.260 3.600 3.900 4.200 4.500 4.800 5.150 5.500 5.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.240 2.580 2.920 3.260 3.600 3.900 4.200 4.500 4.800 5.150 5.500 5.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.240 2.580 2.920 3.260 3.600 3.900 4.200 4.500 4.800 5.150 5.500 5.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.240 2.580 2.920 3.260 3.600 3.900 4.200 4.500 4.800 5.150 5.500 5.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.240 2.580 2.920 3.260 3.600 3.900 4.200 4.500 4.800 5.150 5.500 5.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.240 2.580 2.920 3.260 3.600 3.900 4.200 4.500 4.800 5.150 5.500 5.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.240 2.580 2.920 3.260 3.600 3.900 4.200 4.500 4.800 5.150 5.500 5.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.240 2.580 2.920 3.260 3.600 3.900 4.200 4.500 4.800 5.150 5.500 5.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.240 2.580 2.920 3.260 3.600 3.900 4.200 4.500 4.800 5.150 5.500 5.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.240 2.580 2.920 3.260 3.600 3.900 4.200 4.500 4.800 5.150 5.500 5.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.240 2.580 2.920 3.260 3.600 3.900 4.200 4.500 4.800 5.150 5.500 5.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.240 2.580 2.920 3.260 3.600 3.900 4.200 4.500 4.800 5.150 5.500 5.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.240 2.580 2.920 3.260 3.600 3.900 4.200 4.500 4.800 5.150 5.500 5.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.240 2.580 2.920 3.260 3.600 3.900 4.200 4.500 4.800 5.150 5.500 5.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.240 2.580 2.920 3.260 3.600 3.900 4.200 4.500 4.800 5.150 5.500 5.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.240 2.580 2.920 3.260 3.600 3.900 4.200 4.500 4.800 5.150 5.500 5.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.580 2.920 3.260 3.600 3.900 4.200 4.500 4.800 5.150 5.500 5.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 Ce(Ac)+2 CeCH3COO+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Ding2002 2 1.000 35 1.000 52 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 Pr(Ac)+2 PrCH3COO+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Ding2002 2 1.000 35 1.000 53 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 Nd(Ac)+2 NdCH3COO+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Ding2002 2 1.000 35 1.000 54 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.620 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.900 3.180 3.440 3.700 4.000 4.300 4.600 4.900 5.200 5.500 5.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 Sm(Ac)+2 SmCH3COO+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Ding2002 2 1.000 35 1.000 56 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 Eu(Ac)+2 EuCH3COO+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Ding2002 2 1.000 35 1.000 57 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 Gd(Ac)+2 GdCH3COO+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Ding2002 2 1.000 35 1.000 58 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 Tb(Ac)+2 TbCH3COO+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Ding2002 2 1.000 35 1.000 59 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 Dy(Ac)+2 DyCH3COO+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Ding2002 2 1.000 35 1.000 60 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 Ho(Ac)+2 HoCH3COO+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Ding2002 2 1.000 35 1.000 61 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 Er(Ac)+2 ErCH3COO+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Ding2002 2 1.000 35 1.000 62 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 Tm(Ac)+2 TmCH3COO+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Ding2002 2 1.000 35 1.000 63 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 Yb(Ac)+2 YbCH3COO+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Ding2002 2 1.000 35 1.000 64 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.600 3.030 3.415 3.800 4.150 4.500 4.900 5.300 5.650 6.000 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 Lu(Ac)+2 LuCH3COO+2 P-T:All Charge = 2. Radius(Å) = 2.75 Alk. = 1.000 Ref: Ding2002 2 1.000 35 1.000 65 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.810 3.130 3.415 3.700 4.000 4.300 4.650 5.000 5.350 5.700 6.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 EuCO3,aq EuCO3(0) P-T:All Charge = 0. Radius(Å) = 4.00 Alk. = 2.000 Ref: Liu2017 6 -2.125 1 -0.125 4 1.000 57 0.125 6 0.500 2 1.000 5 7.757 7.233 6.809 6.459 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.757 7.233 6.809 6.459 6.163 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.756 7.232 6.809 6.459 6.163 5.904 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.755 7.231 6.808 6.458 6.162 5.903 5.668 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.754 7.230 6.806 6.457 6.161 5.902 5.667 5.446 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.752 7.227 6.804 6.455 6.159 5.901 5.666 5.446 5.229 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.748 7.223 6.800 6.451 6.156 5.898 5.665 5.445 5.229 5.006 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.743 7.218 6.795 6.446 6.152 5.895 5.662 5.444 5.229 5.008 4.764 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.736 7.211 6.788 6.440 6.146 5.890 5.659 5.442 5.229 5.010 4.770 4.488 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.727 7.201 6.778 6.431 6.138 5.884 5.654 5.439 5.229 5.014 4.779 4.505 4.162 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.716 7.187 6.765 6.419 6.128 5.875 5.648 5.435 5.229 5.017 4.789 4.525 4.200 3.764 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.699 7.170 6.748 6.404 6.115 5.864 5.639 5.430 5.227 5.022 4.801 4.550 4.246 3.847 3.223 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.687 7.156 6.736 6.392 6.104 5.856 5.633 5.426 5.226 5.025 4.810 4.567 4.278 3.904 3.331 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.669 7.136 6.717 6.375 6.089 5.843 5.623 5.420 5.224 5.028 4.821 4.591 4.321 3.980 3.472 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.651 7.117 6.698 6.358 6.074 5.830 5.613 5.413 5.221 5.030 4.830 4.612 4.359 4.048 3.597 3.277 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.632 7.097 6.679 6.340 6.058 5.817 5.602 5.406 5.218 5.032 4.839 4.631 4.394 4.109 3.708 3.441 3.256 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.613 7.076 6.659 6.323 6.043 5.803 5.592 5.398 5.215 5.033 4.847 4.647 4.425 4.163 3.808 3.516 3.381 3.202 2.888 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.594 7.057 6.640 6.305 6.027 5.790 5.581 5.391 5.210 5.034 4.853 4.662 4.453 4.212 3.895 3.585 3.465 3.327 3.152 2.899 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.575 7.036 6.620 6.287 6.011 5.776 5.570 5.383 5.206 5.033 4.858 4.676 4.478 4.255 3.972 3.648 3.536 3.415 3.276 3.107 2.886 2.582 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.556 7.015 6.601 6.269 5.995 5.762 5.559 5.374 5.201 5.032 4.863 4.687 4.500 4.293 4.040 3.704 3.600 3.489 3.367 3.230 3.067 2.867 2.614 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.536 6.995 6.581 6.251 5.979 5.749 5.547 5.366 5.196 5.031 4.866 4.698 4.520 4.326 4.098 3.754 3.657 3.555 3.444 3.323 3.187 3.032 2.848 2.628 2.368 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.516 6.974 6.561 6.233 5.962 5.735 5.536 5.357 5.190 5.029 4.869 4.706 4.537 4.356 4.148 3.801 3.710 3.613 3.511 3.401 3.281 3.149 3.000 2.830 2.635 2.414 2.167 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.496 6.953 6.541 6.214 5.946 5.720 5.524 5.348 5.184 5.027 4.872 4.714 4.552 4.381 4.191 3.843 3.757 3.667 3.571 3.470 3.361 3.244 3.115 2.973 2.815 2.640 2.448 2.238 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.476 6.932 6.521 6.195 5.930 5.706 5.512 5.339 5.178 5.024 4.873 4.721 4.565 4.403 4.227 3.882 3.801 3.716 3.626 3.531 3.431 3.324 3.209 3.085 2.950 2.804 2.645 2.474 2.294 2.106 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.456 6.911 6.501 6.177 5.913 5.691 5.500 5.329 5.171 5.021 4.874 4.726 4.576 4.421 4.257 3.919 3.841 3.761 3.676 3.587 3.494 3.395 3.290 3.178 3.059 2.931 2.795 2.650 2.498 2.340 2.179 99999.999 99999.999 99999.999 99999.999 99999.999 7.435 6.890 6.481 6.159 5.896 5.677 5.487 5.319 5.164 5.017 4.874 4.731 4.586 4.438 4.282 3.952 3.879 3.802 3.722 3.638 3.551 3.459 3.362 3.259 3.150 3.036 2.916 2.789 2.657 2.520 2.381 2.240 2.102 99999.999 99999.999 99999.999 7.415 6.868 6.460 6.139 5.879 5.662 5.475 5.309 5.157 5.013 4.873 4.734 4.594 4.451 4.303 3.984 3.914 3.841 3.765 3.686 3.603 3.517 3.426 3.331 3.231 3.127 3.017 2.903 2.786 2.664 2.541 2.417 2.294 2.174 99999.999 99999.999 7.394 6.847 6.440 6.121 5.862 5.647 5.462 5.299 5.150 5.009 4.872 4.737 4.602 4.463 4.321 4.013 3.946 3.877 3.805 3.730 3.651 3.570 3.484 3.396 3.303 3.206 3.106 3.002 2.895 2.785 2.673 2.562 2.450 2.341 2.236 2.137 7.373 6.825 6.419 6.102 5.845 5.632 5.450 5.288 5.142 5.004 4.871 4.739 4.607 4.474 4.337 4.040 3.976 3.910 3.841 3.770 3.696 3.619 3.538 3.455 3.368 3.278 3.185 3.088 2.989 2.889 2.787 2.684 2.582 2.482 2.385 2.292 7.155 6.604 6.209 5.908 5.670 5.476 5.314 5.176 5.054 4.943 4.839 4.738 4.641 4.543 4.446 4.243 4.200 4.156 4.112 4.065 4.019 3.970 3.921 3.869 3.817 3.762 3.707 3.651 3.592 3.533 3.473 3.413 3.351 3.290 3.228 3.167 6.924 6.373 5.992 5.707 5.486 5.311 5.169 5.050 4.949 4.860 4.780 4.706 4.634 4.565 4.497 4.358 4.330 4.301 4.271 4.241 4.210 4.179 4.146 4.113 4.079 4.044 4.008 3.971 3.933 3.894 3.855 3.814 3.773 3.731 3.689 3.645 6.682 6.135 5.769 5.501 5.298 5.140 5.015 4.915 4.833 4.764 4.704 4.651 4.602 4.555 4.511 4.423 4.406 4.388 4.369 4.350 4.331 4.311 4.291 4.271 4.249 4.227 4.205 4.181 4.157 4.133 4.107 4.080 4.053 4.025 3.996 3.967 6.432 5.892 5.541 5.290 5.104 4.964 4.856 4.772 4.707 4.656 4.614 4.580 4.550 4.524 4.500 4.454 4.445 4.435 4.426 4.416 4.407 4.396 4.386 4.374 4.363 4.351 4.338 4.325 4.311 4.297 4.282 4.266 4.249 4.232 4.214 4.195 6.176 5.645 5.309 5.075 4.906 4.783 4.691 4.624 4.575 4.540 4.515 4.497 4.485 4.476 4.469 4.459 4.458 4.456 4.454 4.452 4.449 4.446 4.443 4.440 4.437 4.433 4.428 4.423 4.418 4.411 4.404 4.397 4.390 4.381 4.371 4.361 5.916 5.393 5.073 4.857 4.705 4.598 4.523 4.471 4.437 4.417 4.407 4.404 4.407 4.414 4.423 4.446 4.450 4.455 4.460 4.464 4.468 4.472 4.476 4.479 4.482 4.485 4.487 4.488 4.489 4.490 4.491 4.490 4.489 4.487 4.485 4.482 5.650 5.139 4.835 4.636 4.502 4.411 4.350 4.314 4.294 4.288 4.292 4.304 4.321 4.342 4.366 4.417 4.427 4.437 4.448 4.458 4.468 4.477 4.487 4.496 4.504 4.513 4.521 4.528 4.535 4.542 4.548 4.553 4.558 4.563 4.566 4.569 99999.999 4.882 4.594 4.413 4.295 4.220 4.176 4.153 4.148 4.155 4.173 4.198 4.228 4.262 4.299 4.376 4.391 4.407 4.422 4.437 4.452 4.467 4.481 4.496 4.509 4.523 4.536 4.549 4.561 4.572 4.583 4.594 4.604 4.613 4.621 4.629 Eu(HCO3)+ Eu(HCO3)(+1) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 1.000 Ref: Liu2017 6 -1.125 1 -0.125 4 1.000 57 0.125 6 0.500 2 1.000 5 -1.033 -1.139 -1.331 -1.567 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.033 -1.139 -1.331 -1.567 -1.828 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.033 -1.139 -1.331 -1.567 -1.828 -2.109 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.032 -1.138 -1.331 -1.566 -1.828 -2.109 -2.406 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.032 -1.138 -1.330 -1.566 -1.827 -2.108 -2.406 -2.719 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.030 -1.137 -1.330 -1.565 -1.827 -2.107 -2.404 -2.717 -3.049 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.028 -1.136 -1.329 -1.564 -1.825 -2.106 -2.402 -2.715 -3.046 -3.401 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.026 -1.134 -1.327 -1.562 -1.823 -2.103 -2.399 -2.711 -3.041 -3.395 -3.781 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.023 -1.131 -1.325 -1.560 -1.821 -2.100 -2.395 -2.707 -3.035 -3.386 -3.769 -4.201 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.018 -1.128 -1.322 -1.557 -1.817 -2.096 -2.390 -2.700 -3.027 -3.375 -3.754 -4.178 -4.673 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.013 -1.124 -1.318 -1.553 -1.813 -2.091 -2.384 -2.692 -3.016 -3.361 -3.734 -4.149 -4.628 -5.214 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.005 -1.119 -1.314 -1.549 -1.808 -2.084 -2.376 -2.681 -3.003 -3.343 -3.710 -4.114 -4.574 -5.127 -5.891 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.000 -1.115 -1.310 -1.545 -1.804 -2.080 -2.370 -2.674 -2.993 -3.330 -3.692 -4.088 -4.534 -5.064 -5.783 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.993 -1.110 -1.306 -1.540 -1.798 -2.073 -2.361 -2.663 -2.979 -3.312 -3.667 -4.053 -4.482 -4.982 -5.640 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.986 -1.106 -1.302 -1.536 -1.793 -2.066 -2.354 -2.653 -2.966 -3.295 -3.644 -4.020 -4.434 -4.907 -5.512 -6.182 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.980 -1.102 -1.298 -1.532 -1.789 -2.061 -2.346 -2.644 -2.954 -3.279 -3.622 -3.989 -4.388 -4.838 -5.397 -6.024 -6.271 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.975 -1.098 -1.295 -1.529 -1.784 -2.055 -2.339 -2.634 -2.942 -3.263 -3.601 -3.960 -4.347 -4.775 -5.294 -5.945 -6.146 -6.388 -6.753 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.969 -1.095 -1.291 -1.525 -1.780 -2.050 -2.332 -2.626 -2.931 -3.249 -3.582 -3.933 -4.308 -4.718 -5.201 -5.870 -6.059 -6.263 -6.501 -6.811 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.964 -1.091 -1.289 -1.522 -1.776 -2.045 -2.326 -2.617 -2.920 -3.235 -3.563 -3.908 -4.272 -4.666 -5.118 -5.802 -5.982 -6.172 -6.377 -6.610 -6.891 -7.249 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.960 -1.088 -1.286 -1.519 -1.772 -2.040 -2.320 -2.609 -2.910 -3.221 -3.545 -3.884 -4.240 -4.619 -5.044 -5.740 -5.913 -6.093 -6.283 -6.488 -6.715 -6.977 -7.287 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.955 -1.086 -1.284 -1.517 -1.769 -2.036 -2.314 -2.602 -2.900 -3.209 -3.529 -3.862 -4.209 -4.576 -4.978 -5.683 -5.849 -6.022 -6.203 -6.392 -6.595 -6.816 -7.063 -7.343 -7.659 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.952 -1.083 -1.282 -1.514 -1.766 -2.032 -2.308 -2.595 -2.890 -3.197 -3.513 -3.841 -4.181 -4.537 -4.920 -5.629 -5.791 -5.958 -6.131 -6.310 -6.498 -6.698 -6.913 -7.147 -7.404 -7.685 -7.990 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.948 -1.081 -1.280 -1.512 -1.763 -2.028 -2.303 -2.588 -2.881 -3.184 -3.498 -3.821 -4.155 -4.502 -4.870 -5.580 -5.737 -5.899 -6.065 -6.237 -6.415 -6.601 -6.797 -7.006 -7.229 -7.467 -7.722 -7.992 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.945 -1.080 -1.278 -1.510 -1.761 -2.024 -2.299 -2.581 -2.873 -3.174 -3.483 -3.802 -4.131 -4.471 -4.825 -5.533 -5.687 -5.844 -6.004 -6.170 -6.341 -6.517 -6.702 -6.894 -7.096 -7.308 -7.531 -7.765 -8.009 -8.258 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.942 -1.078 -1.277 -1.508 -1.758 -2.021 -2.294 -2.575 -2.864 -3.163 -3.469 -3.785 -4.109 -4.442 -4.786 -5.489 -5.639 -5.792 -5.948 -6.109 -6.273 -6.443 -6.618 -6.798 -6.986 -7.182 -7.384 -7.595 -7.812 -8.034 -8.259 99999.999 99999.999 99999.999 99999.999 99999.999 -0.940 -1.077 -1.276 -1.507 -1.756 -2.018 -2.290 -2.569 -2.857 -3.153 -3.457 -3.769 -4.088 -4.415 -4.752 -5.448 -5.594 -5.744 -5.896 -6.052 -6.211 -6.374 -6.542 -6.715 -6.892 -7.076 -7.264 -7.459 -7.657 -7.860 -8.065 -8.270 -8.473 99999.999 99999.999 99999.999 -0.938 -1.076 -1.275 -1.505 -1.754 -2.015 -2.285 -2.563 -2.849 -3.143 -3.444 -3.753 -4.069 -4.392 -4.722 -5.408 -5.552 -5.698 -5.847 -5.999 -6.153 -6.312 -6.473 -6.639 -6.809 -6.983 -7.162 -7.344 -7.530 -7.718 -7.909 -8.099 -8.288 -8.474 99999.999 99999.999 -0.936 -1.075 -1.274 -1.504 -1.753 -2.012 -2.281 -2.558 -2.842 -3.134 -3.432 -3.738 -4.050 -4.369 -4.694 -5.371 -5.512 -5.655 -5.801 -5.949 -6.099 -6.253 -6.410 -6.570 -6.734 -6.901 -7.072 -7.245 -7.421 -7.599 -7.778 -7.958 -8.136 -8.312 -8.484 -8.650 -0.934 -1.075 -1.274 -1.504 -1.751 -2.010 -2.278 -2.553 -2.835 -3.124 -3.421 -3.724 -4.033 -4.348 -4.669 -5.336 -5.474 -5.614 -5.757 -5.902 -6.048 -6.199 -6.351 -6.507 -6.665 -6.826 -6.990 -7.156 -7.325 -7.495 -7.666 -7.837 -8.007 -8.175 -8.340 -8.500 -0.933 -1.082 -1.280 -1.506 -1.746 -1.996 -2.253 -2.516 -2.782 -3.053 -3.328 -3.607 -3.890 -4.176 -4.464 -5.053 -5.172 -5.293 -5.414 -5.537 -5.660 -5.784 -5.910 -6.037 -6.165 -6.293 -6.423 -6.554 -6.686 -6.818 -6.951 -7.084 -7.218 -7.352 -7.485 -7.618 -0.956 -1.108 -1.303 -1.523 -1.757 -1.999 -2.246 -2.497 -2.750 -3.007 -3.265 -3.526 -3.789 -4.053 -4.319 -4.854 -4.962 -5.070 -5.178 -5.288 -5.397 -5.507 -5.617 -5.729 -5.840 -5.953 -6.065 -6.179 -6.293 -6.408 -6.523 -6.638 -6.754 -6.871 -6.987 -7.104 -0.997 -1.148 -1.339 -1.552 -1.779 -2.013 -2.252 -2.493 -2.736 -2.979 -3.224 -3.470 -3.716 -3.963 -4.210 -4.705 -4.805 -4.904 -5.003 -5.103 -5.203 -5.303 -5.403 -5.504 -5.605 -5.706 -5.807 -5.909 -6.012 -6.114 -6.217 -6.321 -6.424 -6.529 -6.633 -6.738 -1.053 -1.201 -1.386 -1.592 -1.812 -2.038 -2.268 -2.500 -2.733 -2.966 -3.200 -3.432 -3.665 -3.898 -4.130 -4.593 -4.685 -4.777 -4.870 -4.962 -5.054 -5.147 -5.239 -5.332 -5.425 -5.518 -5.611 -5.704 -5.798 -5.892 -5.985 -6.080 -6.175 -6.269 -6.365 -6.460 -1.121 -1.263 -1.441 -1.641 -1.852 -2.071 -2.293 -2.517 -2.741 -2.964 -3.187 -3.409 -3.630 -3.850 -4.070 -4.505 -4.592 -4.679 -4.765 -4.852 -4.938 -5.024 -5.111 -5.197 -5.283 -5.370 -5.456 -5.543 -5.630 -5.717 -5.804 -5.891 -5.979 -6.066 -6.154 -6.243 -1.199 -1.334 -1.505 -1.696 -1.900 -2.111 -2.325 -2.541 -2.757 -2.972 -3.185 -3.397 -3.608 -3.817 -4.026 -4.438 -4.520 -4.602 -4.683 -4.765 -4.846 -4.928 -5.009 -5.090 -5.171 -5.252 -5.333 -5.414 -5.496 -5.577 -5.659 -5.740 -5.822 -5.904 -5.986 -6.069 -1.284 -1.411 -1.574 -1.758 -1.954 -2.157 -2.363 -2.572 -2.780 -2.987 -3.192 -3.395 -3.597 -3.797 -3.995 -4.386 -4.464 -4.542 -4.619 -4.697 -4.774 -4.851 -4.927 -5.004 -5.081 -5.157 -5.234 -5.311 -5.388 -5.464 -5.541 -5.618 -5.695 -5.772 -5.850 -5.927 99999.999 -1.494 -1.649 -1.825 -2.012 -2.208 -2.407 -2.608 -2.808 -3.008 -3.205 -3.400 -3.594 -3.785 -3.974 -4.348 -4.422 -4.496 -4.569 -4.643 -4.716 -4.790 -4.862 -4.935 -5.008 -5.081 -5.154 -5.227 -5.300 -5.372 -5.445 -5.519 -5.592 -5.665 -5.738 -5.812 EuCl+ EuCl(+) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Liu2017 6 -1.125 1 -0.125 4 1.000 57 0.125 6 0.500 2 1.000 3 0.339 0.270 0.136 -0.036 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.339 0.270 0.136 -0.036 -0.234 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.339 0.271 0.136 -0.036 -0.234 -0.452 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.339 0.271 0.137 -0.036 -0.234 -0.451 -0.688 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.340 0.271 0.137 -0.035 -0.233 -0.451 -0.687 -0.942 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.341 0.272 0.138 -0.035 -0.232 -0.450 -0.686 -0.940 -1.215 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.342 0.273 0.139 -0.033 -0.231 -0.448 -0.684 -0.938 -1.212 -1.512 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.344 0.275 0.140 -0.032 -0.229 -0.446 -0.681 -0.934 -1.208 -1.506 -1.837 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.347 0.277 0.143 -0.029 -0.226 -0.443 -0.677 -0.929 -1.201 -1.497 -1.826 -2.204 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.351 0.280 0.145 -0.026 -0.222 -0.438 -0.672 -0.923 -1.193 -1.486 -1.811 -2.182 -2.623 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.355 0.284 0.149 -0.023 -0.218 -0.433 -0.665 -0.915 -1.182 -1.472 -1.792 -2.154 -2.579 -3.111 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.361 0.289 0.153 -0.018 -0.213 -0.426 -0.657 -0.904 -1.169 -1.455 -1.769 -2.120 -2.527 -3.026 -3.734 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.366 0.292 0.156 -0.015 -0.209 -0.421 -0.651 -0.897 -1.160 -1.442 -1.751 -2.095 -2.489 -2.965 -3.627 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.371 0.297 0.161 -0.010 -0.203 -0.415 -0.643 -0.886 -1.146 -1.425 -1.727 -2.060 -2.438 -2.886 -3.488 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.377 0.301 0.166 -0.005 -0.197 -0.408 -0.634 -0.876 -1.133 -1.408 -1.704 -2.028 -2.391 -2.813 -3.364 -4.033 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.382 0.306 0.170 0.000 -0.192 -0.402 -0.626 -0.866 -1.120 -1.391 -1.682 -1.998 -2.347 -2.746 -3.253 -3.834 -4.083 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.388 0.309 0.174 0.005 -0.187 -0.395 -0.618 -0.856 -1.108 -1.376 -1.662 -1.970 -2.307 -2.686 -3.153 -3.744 -3.937 -4.175 -4.538 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.393 0.314 0.178 0.009 -0.182 -0.389 -0.611 -0.847 -1.096 -1.360 -1.642 -1.943 -2.269 -2.631 -3.063 -3.666 -3.843 -4.038 -4.268 -4.571 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.397 0.317 0.181 0.013 -0.177 -0.383 -0.604 -0.838 -1.085 -1.346 -1.623 -1.918 -2.234 -2.580 -2.983 -3.597 -3.763 -3.941 -4.135 -4.358 -4.630 -4.977 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.401 0.321 0.185 0.017 -0.172 -0.378 -0.597 -0.829 -1.074 -1.332 -1.605 -1.894 -2.202 -2.534 -2.912 -3.533 -3.692 -3.859 -4.036 -4.229 -4.446 -4.697 -4.996 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.406 0.324 0.188 0.021 -0.168 -0.372 -0.590 -0.821 -1.063 -1.319 -1.588 -1.872 -2.172 -2.492 -2.848 -3.476 -3.628 -3.787 -3.953 -4.130 -4.320 -4.530 -4.766 -5.034 -5.338 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.409 0.327 0.191 0.024 -0.164 -0.367 -0.583 -0.812 -1.053 -1.306 -1.572 -1.851 -2.144 -2.454 -2.792 -3.422 -3.570 -3.722 -3.880 -4.046 -4.221 -4.408 -4.611 -4.834 -5.078 -5.347 -5.638 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.412 0.330 0.194 0.028 -0.160 -0.362 -0.577 -0.805 -1.043 -1.294 -1.556 -1.831 -2.118 -2.419 -2.742 -3.373 -3.515 -3.662 -3.813 -3.971 -4.136 -4.309 -4.493 -4.690 -4.900 -5.127 -5.369 -5.626 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.416 0.333 0.197 0.031 -0.156 -0.357 -0.571 -0.797 -1.034 -1.282 -1.541 -1.812 -2.093 -2.387 -2.698 -3.326 -3.464 -3.606 -3.753 -3.904 -4.061 -4.225 -4.395 -4.575 -4.764 -4.964 -5.175 -5.398 -5.628 -5.865 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.419 0.335 0.200 0.034 -0.152 -0.352 -0.565 -0.790 -1.024 -1.270 -1.527 -1.794 -2.071 -2.359 -2.660 -3.283 -3.417 -3.555 -3.696 -3.842 -3.993 -4.148 -4.310 -4.478 -4.653 -4.836 -5.027 -5.225 -5.429 -5.639 -5.853 99999.999 99999.999 99999.999 99999.999 99999.999 0.422 0.338 0.202 0.038 -0.148 -0.348 -0.560 -0.783 -1.015 -1.259 -1.513 -1.777 -2.050 -2.332 -2.626 -3.241 -3.372 -3.506 -3.644 -3.785 -3.930 -4.080 -4.234 -4.393 -4.558 -4.728 -4.905 -5.086 -5.273 -5.464 -5.657 -5.851 -6.043 99999.999 99999.999 99999.999 0.425 0.340 0.205 0.040 -0.144 -0.343 -0.554 -0.776 -1.007 -1.248 -1.500 -1.760 -2.030 -2.308 -2.596 -3.202 -3.330 -3.461 -3.595 -3.732 -3.872 -4.017 -4.165 -4.317 -4.474 -4.635 -4.801 -4.971 -5.144 -5.321 -5.499 -5.679 -5.856 -6.032 99999.999 99999.999 0.427 0.342 0.207 0.043 -0.141 -0.339 -0.549 -0.769 -0.998 -1.238 -1.487 -1.745 -2.011 -2.285 -2.569 -3.165 -3.290 -3.418 -3.548 -3.682 -3.818 -3.958 -4.101 -4.248 -4.398 -4.552 -4.709 -4.871 -5.034 -5.200 -5.368 -5.536 -5.703 -5.868 -6.029 -6.186 0.429 0.344 0.209 0.046 -0.138 -0.335 -0.544 -0.762 -0.990 -1.228 -1.475 -1.730 -1.993 -2.264 -2.543 -3.129 -3.252 -3.377 -3.505 -3.635 -3.768 -3.903 -4.042 -4.184 -4.328 -4.477 -4.628 -4.781 -4.937 -5.095 -5.254 -5.413 -5.572 -5.730 -5.884 -6.033 0.441 0.356 0.224 0.065 -0.112 -0.301 -0.500 -0.707 -0.921 -1.142 -1.369 -1.602 -1.840 -2.084 -2.332 -2.843 -2.947 -3.053 -3.160 -3.268 -3.377 -3.488 -3.600 -3.713 -3.827 -3.943 -4.060 -4.177 -4.296 -4.416 -4.537 -4.658 -4.779 -4.901 -5.022 -5.143 0.437 0.357 0.229 0.076 -0.096 -0.278 -0.469 -0.666 -0.869 -1.076 -1.288 -1.504 -1.724 -1.948 -2.174 -2.635 -2.728 -2.823 -2.918 -3.013 -3.109 -3.206 -3.303 -3.401 -3.499 -3.599 -3.699 -3.800 -3.902 -4.004 -4.107 -4.211 -4.315 -4.419 -4.524 -4.629 0.420 0.347 0.226 0.078 -0.087 -0.263 -0.446 -0.635 -0.828 -1.025 -1.225 -1.428 -1.634 -1.841 -2.051 -2.475 -2.560 -2.646 -2.732 -2.819 -2.905 -2.992 -3.080 -3.168 -3.256 -3.346 -3.435 -3.525 -3.615 -3.706 -3.798 -3.889 -3.982 -4.074 -4.167 -4.261 0.393 0.330 0.216 0.074 -0.085 -0.255 -0.431 -0.613 -0.798 -0.986 -1.176 -1.368 -1.561 -1.756 -1.952 -2.346 -2.425 -2.504 -2.584 -2.664 -2.744 -2.824 -2.904 -2.985 -3.066 -3.147 -3.229 -3.311 -3.392 -3.475 -3.558 -3.641 -3.725 -3.809 -3.894 -3.978 0.358 0.306 0.200 0.065 -0.089 -0.252 -0.423 -0.598 -0.776 -0.955 -1.137 -1.319 -1.502 -1.686 -1.871 -2.241 -2.315 -2.389 -2.463 -2.537 -2.612 -2.687 -2.762 -2.836 -2.911 -2.986 -3.062 -3.137 -3.213 -3.289 -3.366 -3.442 -3.520 -3.597 -3.674 -3.753 0.316 0.278 0.179 0.050 -0.096 -0.254 -0.419 -0.588 -0.759 -0.932 -1.106 -1.280 -1.454 -1.629 -1.804 -2.153 -2.223 -2.293 -2.363 -2.432 -2.502 -2.573 -2.643 -2.713 -2.783 -2.853 -2.924 -2.994 -3.065 -3.136 -3.207 -3.279 -3.351 -3.423 -3.495 -3.568 0.269 0.245 0.155 0.033 -0.108 -0.260 -0.419 -0.582 -0.748 -0.914 -1.082 -1.249 -1.416 -1.582 -1.748 -2.080 -2.146 -2.212 -2.278 -2.345 -2.411 -2.477 -2.543 -2.609 -2.675 -2.742 -2.808 -2.874 -2.941 -3.008 -3.075 -3.142 -3.210 -3.278 -3.346 -3.414 99999.999 0.208 0.126 0.011 -0.123 -0.269 -0.423 -0.581 -0.740 -0.902 -1.063 -1.223 -1.384 -1.543 -1.702 -2.018 -2.081 -2.144 -2.207 -2.270 -2.332 -2.395 -2.458 -2.521 -2.584 -2.647 -2.710 -2.773 -2.836 -2.900 -2.963 -3.027 -3.091 -3.155 -3.220 -3.284 EuF+ EuF(+) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Liu2017 6 -1.125 1 -0.125 4 1.000 57 0.125 6 0.500 2 1.000 23 -0.386 -0.411 -0.519 -0.672 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.386 -0.411 -0.519 -0.672 -0.856 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.385 -0.411 -0.519 -0.672 -0.856 -1.062 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.382 -0.408 -0.516 -0.670 -0.853 -1.059 -1.285 -1.533 -1.801 -2.097 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.379 -0.406 -0.515 -0.668 -0.851 -1.057 -1.283 -1.529 -1.797 -2.090 -2.420 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.376 -0.404 -0.513 -0.666 -0.848 -1.053 -1.279 -1.524 -1.790 -2.082 -2.408 -2.786 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.373 -0.401 -0.510 -0.663 -0.845 -1.050 -1.274 -1.518 -1.782 -2.071 -2.393 -2.763 -3.203 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.368 -0.397 -0.507 -0.660 -0.841 -1.044 -1.267 -1.510 -1.771 -2.057 -2.373 -2.734 -3.159 -3.690 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.361 -0.393 -0.502 -0.655 -0.835 -1.038 -1.259 -1.499 -1.758 -2.039 -2.349 -2.699 -3.106 -3.605 -4.304 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.357 -0.389 -0.499 -0.651 -0.831 -1.033 -1.253 -1.491 -1.748 -2.026 -2.331 -2.673 -3.067 -3.543 -4.203 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.350 -0.384 -0.494 -0.646 -0.825 -1.026 -1.245 -1.480 -1.734 -2.008 -2.307 -2.638 -3.015 -3.462 -4.066 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.344 -0.380 -0.490 -0.641 -0.820 -1.019 -1.236 -1.470 -1.721 -1.990 -2.283 -2.605 -2.966 -3.387 -3.941 -4.339 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.337 -0.375 -0.485 -0.637 -0.814 -1.012 -1.228 -1.459 -1.708 -1.974 -2.261 -2.574 -2.921 -3.319 -3.827 -4.293 -4.468 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.332 -0.370 -0.481 -0.632 -0.809 -1.006 -1.220 -1.449 -1.695 -1.957 -2.240 -2.544 -2.879 -3.257 -3.724 -4.241 -4.402 -4.589 -4.880 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.326 -0.366 -0.477 -0.628 -0.804 -1.000 -1.212 -1.440 -1.683 -1.942 -2.219 -2.517 -2.840 -3.199 -3.632 -4.180 -4.337 -4.505 -4.696 -4.950 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.321 -0.362 -0.473 -0.623 -0.799 -0.994 -1.205 -1.431 -1.671 -1.927 -2.200 -2.490 -2.804 -3.147 -3.549 -4.120 -4.273 -4.433 -4.604 -4.797 -5.031 -5.336 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.316 -0.358 -0.470 -0.619 -0.794 -0.988 -1.198 -1.422 -1.660 -1.913 -2.181 -2.466 -2.770 -3.099 -3.475 -4.062 -4.211 -4.366 -4.527 -4.699 -4.891 -5.112 -5.379 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.311 -0.354 -0.466 -0.615 -0.789 -0.982 -1.191 -1.413 -1.649 -1.899 -2.163 -2.443 -2.739 -3.056 -3.409 -4.009 -4.153 -4.302 -4.457 -4.619 -4.791 -4.980 -5.190 -5.432 -5.708 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.306 -0.351 -0.462 -0.611 -0.785 -0.977 -1.184 -1.404 -1.638 -1.886 -2.146 -2.421 -2.710 -3.016 -3.351 -3.958 -4.099 -4.243 -4.392 -4.547 -4.709 -4.880 -5.064 -5.266 -5.488 -5.733 -6.000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.301 -0.347 -0.459 -0.607 -0.781 -0.971 -1.177 -1.396 -1.628 -1.873 -2.130 -2.400 -2.683 -2.980 -3.299 -3.910 -4.047 -4.188 -4.332 -4.481 -4.635 -4.796 -4.965 -5.145 -5.337 -5.544 -5.766 -6.002 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.297 -0.344 -0.455 -0.604 -0.776 -0.966 -1.170 -1.388 -1.618 -1.860 -2.115 -2.380 -2.658 -2.948 -3.254 -3.865 -3.998 -4.135 -4.275 -4.419 -4.567 -4.721 -4.880 -5.047 -5.222 -5.406 -5.600 -5.803 -6.016 -6.234 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.293 -0.340 -0.452 -0.600 -0.772 -0.961 -1.164 -1.380 -1.608 -1.848 -2.099 -2.362 -2.635 -2.918 -3.215 -3.822 -3.952 -4.085 -4.222 -4.361 -4.505 -4.652 -4.805 -4.962 -5.125 -5.295 -5.471 -5.654 -5.843 -6.036 -6.232 99999.999 99999.999 99999.999 99999.999 99999.999 -0.289 -0.337 -0.449 -0.597 -0.768 -0.956 -1.158 -1.372 -1.599 -1.836 -2.085 -2.344 -2.612 -2.891 -3.180 -3.781 -3.909 -4.039 -4.171 -4.307 -4.446 -4.589 -4.735 -4.886 -5.041 -5.200 -5.364 -5.534 -5.706 -5.882 -6.061 -6.239 -6.415 99999.999 99999.999 99999.999 -0.285 -0.334 -0.446 -0.593 -0.764 -0.951 -1.152 -1.365 -1.589 -1.825 -2.071 -2.327 -2.592 -2.866 -3.149 -3.742 -3.867 -3.994 -4.124 -4.256 -4.391 -4.530 -4.672 -4.816 -4.965 -5.117 -5.273 -5.432 -5.593 -5.757 -5.923 -6.088 -6.252 -6.412 99999.999 99999.999 -0.281 -0.331 -0.443 -0.590 -0.760 -0.946 -1.146 -1.358 -1.580 -1.814 -2.057 -2.310 -2.572 -2.842 -3.121 -3.705 -3.827 -3.952 -4.079 -4.208 -4.340 -4.474 -4.612 -4.752 -4.895 -5.041 -5.190 -5.342 -5.495 -5.650 -5.806 -5.963 -6.117 -6.269 -6.416 -6.559 -0.278 -0.328 -0.440 -0.587 -0.756 -0.942 -1.141 -1.351 -1.572 -1.803 -2.044 -2.294 -2.553 -2.820 -3.094 -3.669 -3.789 -3.911 -4.035 -4.162 -4.290 -4.422 -4.556 -4.692 -4.830 -4.972 -5.115 -5.260 -5.408 -5.556 -5.706 -5.855 -6.002 -6.147 -6.290 -6.427 -0.252 -0.307 -0.417 -0.560 -0.724 -0.902 -1.091 -1.289 -1.496 -1.710 -1.931 -2.159 -2.392 -2.631 -2.875 -3.376 -3.480 -3.584 -3.688 -3.794 -3.902 -4.010 -4.120 -4.230 -4.342 -4.455 -4.569 -4.684 -4.800 -4.917 -5.034 -5.152 -5.270 -5.388 -5.505 -5.622 -0.240 -0.294 -0.402 -0.541 -0.699 -0.870 -1.052 -1.240 -1.435 -1.636 -1.842 -2.053 -2.268 -2.486 -2.708 -3.160 -3.252 -3.344 -3.437 -3.531 -3.625 -3.720 -3.815 -3.912 -4.009 -4.107 -4.205 -4.304 -4.404 -4.504 -4.606 -4.707 -4.810 -4.912 -5.015 -5.119 -0.239 -0.290 -0.393 -0.527 -0.681 -0.846 -1.020 -1.201 -1.387 -1.577 -1.770 -1.968 -2.168 -2.370 -2.575 -2.989 -3.073 -3.157 -3.242 -3.327 -3.412 -3.497 -3.584 -3.670 -3.757 -3.844 -3.932 -4.020 -4.109 -4.198 -4.288 -4.379 -4.469 -4.561 -4.653 -4.745 -0.247 -0.291 -0.390 -0.519 -0.667 -0.827 -0.995 -1.169 -1.347 -1.528 -1.711 -1.897 -2.085 -2.275 -2.465 -2.851 -2.928 -3.006 -3.084 -3.161 -3.240 -3.319 -3.397 -3.476 -3.555 -3.635 -3.715 -3.796 -3.876 -3.957 -4.039 -4.121 -4.203 -4.286 -4.369 -4.452 -0.261 -0.298 -0.391 -0.516 -0.658 -0.813 -0.976 -1.143 -1.314 -1.487 -1.663 -1.839 -2.016 -2.195 -2.375 -2.735 -2.807 -2.879 -2.952 -3.025 -3.097 -3.170 -3.244 -3.317 -3.390 -3.464 -3.538 -3.612 -3.686 -3.761 -3.836 -3.911 -3.987 -4.063 -4.139 -4.216 -0.280 -0.308 -0.396 -0.515 -0.653 -0.802 -0.960 -1.122 -1.287 -1.453 -1.621 -1.789 -1.959 -2.127 -2.297 -2.637 -2.705 -2.773 -2.841 -2.909 -2.977 -3.045 -3.114 -3.183 -3.251 -3.320 -3.389 -3.458 -3.527 -3.597 -3.667 -3.737 -3.807 -3.878 -3.949 -4.020 -0.305 -0.322 -0.404 -0.518 -0.650 -0.795 -0.948 -1.104 -1.264 -1.425 -1.586 -1.747 -1.909 -2.070 -2.231 -2.553 -2.618 -2.682 -2.746 -2.810 -2.875 -2.939 -3.004 -3.068 -3.132 -3.197 -3.262 -3.327 -3.392 -3.458 -3.524 -3.589 -3.655 -3.722 -3.788 -3.855 99999.999 -0.338 -0.414 -0.523 -0.651 -0.791 -0.938 -1.091 -1.245 -1.400 -1.556 -1.711 -1.866 -2.021 -2.175 -2.481 -2.542 -2.603 -2.664 -2.725 -2.786 -2.847 -2.908 -2.970 -3.031 -3.092 -3.153 -3.215 -3.277 -3.338 -3.400 -3.463 -3.525 -3.588 -3.651 -3.714 EuOH+ EuOH(+) P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 1.000 Ref: Liu2017 5 -2.125 1 1.000 57 1.500 2 -0.125 4 0.125 6 14.363 13.068 11.990 11.081 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.363 13.068 11.990 11.081 10.305 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.363 13.068 11.991 11.082 10.305 9.635 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.364 13.069 11.991 11.082 10.306 9.635 9.049 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.364 13.069 11.991 11.082 10.306 9.636 9.050 8.532 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.365 13.070 11.992 11.083 10.307 9.637 9.051 8.533 8.071 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.366 13.071 11.993 11.084 10.308 9.638 9.052 8.534 8.073 7.655 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.368 13.072 11.995 11.086 10.310 9.639 9.053 8.536 8.074 7.658 7.275 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.370 13.074 11.996 11.088 10.312 9.641 9.056 8.539 8.077 7.660 7.279 6.922 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.373 13.077 11.999 11.090 10.314 9.644 9.059 8.542 8.081 7.665 7.284 6.929 6.593 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.376 13.081 12.003 11.094 10.318 9.648 9.062 8.546 8.085 7.670 7.290 6.937 6.604 6.292 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.381 13.086 12.008 11.098 10.322 9.652 9.067 8.551 8.091 7.676 7.299 6.948 6.618 6.305 6.036 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.385 13.089 12.011 11.102 10.326 9.655 9.071 8.555 8.095 7.681 7.304 6.956 6.628 6.316 6.016 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.389 13.094 12.015 11.106 10.330 9.660 9.075 8.560 8.101 7.688 7.313 6.966 6.643 6.335 6.025 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.394 13.099 12.020 11.111 10.335 9.665 9.080 8.565 8.107 7.695 7.321 6.977 6.657 6.355 6.048 6.947 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.399 13.103 12.025 11.115 10.339 9.669 9.085 8.570 8.112 7.701 7.328 6.986 6.670 6.373 6.074 6.212 6.488 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.403 13.108 12.029 11.119 10.343 9.673 9.089 8.575 8.117 7.707 7.336 6.996 6.683 6.391 6.101 6.032 6.105 6.266 6.505 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.407 13.112 12.033 11.123 10.347 9.678 9.094 8.580 8.122 7.713 7.342 7.005 6.695 6.407 6.127 5.953 5.961 6.011 6.112 6.259 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.412 13.116 12.037 11.127 10.351 9.681 9.098 8.584 8.128 7.719 7.349 7.013 6.706 6.422 6.150 5.910 5.889 5.892 5.924 5.990 6.084 6.187 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.415 13.120 12.041 11.131 10.355 9.685 9.102 8.588 8.132 7.724 7.355 7.021 6.716 6.436 6.172 5.885 5.847 5.826 5.823 5.842 5.885 5.947 6.017 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.420 13.124 12.044 11.135 10.358 9.689 9.105 8.592 8.137 7.729 7.361 7.028 6.725 6.449 6.191 5.869 5.822 5.785 5.763 5.755 5.765 5.792 5.832 5.879 5.927 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.423 13.128 12.048 11.138 10.362 9.693 9.109 8.597 8.141 7.734 7.367 7.035 6.734 6.459 6.208 5.860 5.805 5.760 5.724 5.701 5.689 5.691 5.707 5.732 5.764 5.798 5.829 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.427 13.131 12.051 11.142 10.365 9.696 9.113 8.601 8.146 7.739 7.372 7.041 6.742 6.470 6.221 5.854 5.795 5.743 5.699 5.664 5.639 5.625 5.621 5.628 5.642 5.663 5.687 5.711 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.430 13.134 12.055 11.145 10.369 9.699 9.117 8.604 8.150 7.743 7.378 7.048 6.749 6.478 6.233 5.851 5.789 5.732 5.683 5.640 5.606 5.579 5.562 5.554 5.554 5.562 5.574 5.590 5.608 5.627 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.433 13.138 12.058 11.148 10.372 9.703 9.120 8.608 8.154 7.748 7.383 7.053 6.755 6.486 6.243 5.850 5.785 5.725 5.671 5.623 5.582 5.548 5.521 5.502 5.490 5.485 5.486 5.493 5.503 5.516 5.532 99999.999 99999.999 99999.999 99999.999 99999.999 14.437 13.141 12.062 11.151 10.375 9.706 9.123 8.611 8.157 7.752 7.388 7.058 6.761 6.493 6.250 5.851 5.784 5.721 5.664 5.612 5.566 5.526 5.491 5.464 5.443 5.428 5.420 5.417 5.419 5.425 5.434 5.446 5.461 99999.999 99999.999 99999.999 14.440 13.144 12.065 11.154 10.378 9.709 9.126 8.614 8.161 7.756 7.392 7.064 6.767 6.499 6.257 5.852 5.783 5.719 5.660 5.604 5.554 5.509 5.470 5.436 5.408 5.386 5.369 5.358 5.352 5.350 5.353 5.358 5.368 5.381 99999.999 99999.999 14.443 13.147 12.068 11.157 10.381 9.712 9.129 8.618 8.165 7.760 7.396 7.069 6.772 6.504 6.263 5.854 5.784 5.718 5.657 5.600 5.546 5.498 5.454 5.416 5.382 5.354 5.330 5.313 5.299 5.290 5.286 5.286 5.289 5.296 5.306 5.320 14.446 13.150 12.071 11.160 10.384 9.715 9.132 8.621 8.168 7.764 7.401 7.074 6.777 6.509 6.267 5.857 5.786 5.719 5.656 5.597 5.541 5.490 5.443 5.401 5.363 5.330 5.301 5.277 5.258 5.243 5.232 5.225 5.223 5.224 5.228 5.237 14.470 13.175 12.095 11.184 10.408 9.739 9.157 8.648 8.198 7.797 7.437 7.113 6.821 6.555 6.314 5.897 5.822 5.750 5.682 5.615 5.552 5.490 5.431 5.375 5.320 5.269 5.219 5.172 5.126 5.083 5.042 5.004 4.968 4.933 4.901 4.871 14.485 13.192 12.112 11.201 10.425 9.756 9.176 8.667 8.219 7.820 7.464 7.143 6.854 6.591 6.353 5.937 5.863 5.791 5.721 5.654 5.590 5.527 5.467 5.408 5.351 5.296 5.243 5.192 5.142 5.094 5.047 5.001 4.957 4.915 4.874 4.834 14.496 13.204 12.124 11.213 10.437 9.768 9.188 8.681 8.234 7.838 7.484 7.166 6.879 6.620 6.384 5.972 5.899 5.827 5.759 5.692 5.628 5.565 5.505 5.446 5.390 5.335 5.281 5.229 5.179 5.130 5.082 5.035 4.990 4.946 4.903 4.861 14.501 13.211 12.132 11.221 10.445 9.777 9.197 8.691 8.245 7.850 7.498 7.183 6.898 6.641 6.408 6.002 5.929 5.858 5.790 5.725 5.661 5.599 5.540 5.481 5.425 5.371 5.318 5.267 5.216 5.168 5.120 5.075 5.029 4.986 4.942 4.901 14.502 13.215 12.136 11.226 10.450 9.782 9.203 8.698 8.253 7.859 7.509 7.195 6.913 6.658 6.427 6.026 5.953 5.884 5.817 5.752 5.689 5.628 5.569 5.512 5.457 5.403 5.351 5.300 5.251 5.203 5.156 5.111 5.066 5.023 4.981 4.940 14.501 13.216 12.138 11.228 10.452 9.785 9.206 8.701 8.257 7.865 7.516 7.204 6.924 6.671 6.442 6.045 5.973 5.904 5.838 5.774 5.712 5.652 5.594 5.538 5.483 5.430 5.379 5.329 5.280 5.233 5.187 5.143 5.099 5.057 5.015 4.974 14.497 13.215 12.137 11.228 10.452 9.785 9.207 8.703 8.260 7.868 7.521 7.210 6.932 6.681 6.454 6.060 5.990 5.921 5.856 5.792 5.731 5.672 5.614 5.559 5.505 5.453 5.402 5.353 5.305 5.259 5.214 5.170 5.127 5.085 5.044 5.005 99999.999 13.212 12.135 11.225 10.450 9.784 9.207 8.703 8.261 7.870 7.524 7.214 6.937 6.688 6.462 6.072 6.002 5.935 5.870 5.807 5.746 5.688 5.631 5.576 5.523 5.471 5.422 5.373 5.326 5.281 5.236 5.193 5.151 5.110 5.070 5.031 AgSO4- P-T:L-V Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: HH69 2 1.000 18 1.000 4 -1.300 -1.360 -1.600 -1.900 -2.200 -2.500 -2.800 99999.999 AlF++ P-T:L-V Charge = 2. Radius(Å) = 2.75 Alk. = 0.000 Ref: WO82 2 1.000 8 1.000 23 -7.000 -7.110 -7.540 -8.210 -9.170 -10.590 -13.000 99999.999 AlF2+ P-T:L-V Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: WO82 2 1.000 8 2.000 23 -12.600 -12.810 -13.580 -14.770 -16.490 -19.040 -23.370 99999.999 AlF3,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: WO82 2 1.000 8 3.000 23 -16.700 -16.940 -17.850 -19.330 -21.490 -24.720 -30.240 99999.999 AlF4- P-T:L-V Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: WO82 2 1.000 8 4.000 23 -19.100 -19.380 -20.450 -22.170 -24.670 -28.400 -34.760 99999.999 AlF5-- P-T:L-V Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: WO82 2 1.000 8 5.000 23 -20.970 -21.160 -22.100 -23.760 -26.240 -30.010 -36.500 99999.999 AlSO4+ P-T:L-V Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: IZ69 2 1.000 8 1.000 4 -3.050 -3.160 -3.520 -4.000 -4.500 -5.130 -5.860 99999.999 Al(SO4)2- P-T:L-V Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: IZ69 2 1.000 8 2.000 4 -4.950 -5.110 -5.630 -6.330 -7.020 -7.960 -9.110 99999.999 AsH3,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: SR89b 4 0.250 1 -0.750 4 1.000 25 0.750 6 20.980 19.740 17.750 16.210 14.990 14.040 13.380 99999.999 AsH3,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: SR89b 3 1.000 1 1.000 25 -1.500 31 124.735 114.570 97.985 85.045 74.570 65.850 58.425 99999.999 AsO+ P-T:L-V Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: SR89b 3 2.000 1 1.000 25 -2.000 2 -8.940 -8.820 -8.900 -9.190 -9.660 -10.120 -10.710 99999.999 AsO3--- P-T:L-V Charge =-3. Radius(Å) = 5.00 Alk. = 0.000 Ref: SR89b 2 -2.000 1 1.000 25 25.520 24.830 24.090 23.940 24.240 24.820 25.630 99999.999 HAsO3-- P-T:L-V Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: SR89b 2 -1.000 1 1.000 25 12.120 11.740 11.320 11.220 11.360 11.660 12.080 99999.999 Au2H2S3-- P-T:L-V Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: SR89c 3 -1.000 1 2.000 19 3.000 6 -55.750 -52.300 -46.090 -40.620 -35.790 -31.500 -27.680 99999.999 Au2H2S3-- P-T:L-V Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: SR89c 4 2.000 1 2.000 19 -6.000 31 3.000 4 359.270 327.020 274.850 234.720 202.530 175.740 152.500 99999.999 Au(OH)Cl- P-T:L-V Charge =-1. Radius(Å) = 3.00 Alk. = 0.000 Ref: WM91 FTA 4 -1.000 1 1.000 2 1.000 3 1.000 19 6.80 6.61 8.15 10.84 13.51 15.56 17.00 18.40 Au(OH)HS- P-T:L-V Charge =-1. Radius(Å) = 3.00 Alk. = 0.000 Ref: WM91 FTA 4 -1.000 1 1.000 2 1.000 19 1.000 6 -3.62 -3.11 -0.29 3.55 7.25 10.21 12.37 14.21 Au(HS)Cl- P-T:L-V Charge =-1. Radius(Å) = 3.00 Alk. = 0.000 Ref: WM91 FTA 3 1.000 6 1.000 19 1.000 3 -11.14 -10.73 -8.07 -4.43 -1.05 1.45 3.02 4.24 H2BO3- Skip P-T:L-V Charge =-1. Radius(Å) = 2.00 Alk. = 1.000 Ref: HL84B 2 -1.000 1 1.000 33 9.230 9.080 8.950 8.940 9.030 9.220 9.510 99999.999 BaCl2,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: SM64 2 1.000 22 2.000 3 0.080 -0.080 -0.380 -0.650 -0.910 -1.140 -1.350 99999.999 BaOH+ P-T:L-V Charge = 1. Radius(Å) = 2.31 Alk. = 1.000 Ref: SM64 3 -1.000 1 1.000 22 1.000 2 11.800 10.960 9.710 8.810 8.040 7.280 6.340 99999.999 CoCl2,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: PS85 2 1.000 28 2.000 3 0.034 0.036 0.041 0.048 0.056 0.067 0.086 99999.999 CoSO4,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: PS85 2 1.000 28 1.000 4 -0.036 -0.042 -0.055 -0.069 -0.087 -0.109 -0.144 99999.999 CoHSO4+ P-T:L-V Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: SM76 3 1.000 1 1.000 28 1.000 4 -2.470 -2.570 -2.820 -3.150 -3.600 -4.250 -5.310 -7.600 Cu(HS)2- P-T:L-V Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: BA79B 2 1.000 16 2.000 6 -18.740 -17.460 -15.410 -13.940 -12.870 -12.150 -11.250 99999.999 Cu(HS)2- P-T:L-V Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: BA79B 4 2.000 1 1.000 16 -4.000 31 2.000 4 257.940 235.420 198.550 169.620 146.010 126.010 108.870 99999.999 CuH4S3-a P-T:L-V Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: BA9B 3 1.000 1 3.000 6 1.000 16 -24.170 -22.750 -20.640 -19.260 -18.470 -18.260 -18.930 99999.999 CuH4S3-a P-T:L-V Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: BA9B 4 4.000 1 -6.000 31 1.000 16 3.000 4 390.850 356.570 300.300 256.080 219.850 188.980 161.250 99999.999 CuH4S3-b P-T:L-V Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: BA79B 3 1.000 1 3.000 6 1.000 16 -32.370 -29.950 -26.100 -23.200 -20.970 -19.240 -17.960 99999.999 CuH4S3-b P-T:L-V Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: BA79B 4 4.000 1 -6.000 31 1.000 16 3.000 4 382.650 349.370 294.840 252.140 217.350 188.000 162.220 99999.999 FeCl4-- P-T:L-V Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: BO88 2 1.000 11 4.000 3 1.980 1.600 1.000 0.080 -1.400 -3.200 -4.460 -5.860 FeCl2+ P-T:L-V Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: WO82 6 1.125 1 -0.125 6 -0.500 2 1.000 11 2.000 3 0.125 4 7.690 7.520 7.170 6.800 6.430 6.040 5.590 99999.999 FeCl2+ P-T:L-V Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: WO82 5 1.000 1 0.250 31 -0.500 2 1.000 11 2.000 3 -9.602 -8.285 -6.203 -4.672 -3.500 -2.595 -1.917 99999.999 FeCl3,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: HH69 6 1.125 1 -0.125 6 -0.500 2 1.000 11 3.000 3 0.125 4 7.210 6.440 4.970 3.450 1.890 0.390 -0.460 99999.999 FeCl3,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: HH69 5 1.000 1 0.250 31 -0.500 2 1.000 11 3.000 3 -10.082 -9.365 -8.403 -8.023 -8.040 -8.245 -7.967 99999.999 FeCl4- P-T:L-V Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: HH69 6 1.125 1 -0.125 6 -0.500 2 1.000 11 4.000 3 0.125 4 9.130 8.380 6.340 4.520 2.690 1.190 -0.260 99999.999 FeCl4- P-T:L-V Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: HH69 5 1.000 1 0.250 31 -0.500 2 1.000 11 4.000 3 -8.162 -7.425 -7.033 -6.952 -7.240 -7.445 -7.767 99999.999 FeF2+ P-T:L-V Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: WO82 6 1.125 1 -0.500 2 1.000 11 -0.125 6 0.125 4 2.000 23 -2.400 -1.800 -0.950 -0.380 0.020 0.270 0.400 99999.999 FeF2+ P-T:L-V Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: WO82 5 1.000 1 -0.500 2 1.000 11 0.250 31 2.000 23 -19.692 -17.605 -14.323 -11.852 -9.910 -8.365 -7.107 99999.999 FeF3,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: WO82 6 1.125 1 -0.500 2 1.000 11 -0.125 6 0.125 4 3.000 23 -5.480 -5.920 -6.140 -7.150 -8.820 -11.030 -14.130 -19.130 FeF3,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: WO82 5 1.000 1 -0.500 2 1.000 11 0.250 31 3.000 23 -22.772 -21.725 -19.512 -18.622 -18.750 -19.665 -21.637 99999.999 FeSO4,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: IZ69 2 1.000 11 1.000 4 -2.250 -2.470 -2.900 -3.338 -3.795 -4.314 -4.921 -5.640 FeSO4+ P-T:L-V Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: WO82 5 1.125 1 -0.125 6 -0.500 2 1.000 11 1.125 4 4.420 4.040 3.160 2.170 1.030 -0.420 -2.550 99999.999 FeSO4+ P-T:L-V Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: WO82 5 1.000 1 0.250 31 -0.500 2 1.000 11 1.000 4 -12.872 -11.765 -10.213 -9.302 -8.900 -9.055 -10.057 99999.999 HgClOH,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: SM76 4 -1.000 1 1.000 2 1.000 3 1.000 20 -4.400 -4.380 -4.500 -4.790 -5.370 -6.430 -8.470 99999.999 HgS2-- P-T:L-V Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: SR89c 3 -2.000 1 1.000 20 2.000 6 -24.290 -22.230 -18.910 -16.360 -14.390 -12.840 -11.660 99999.999 HgS2-- P-T:L-V Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: SR89c 3 1.000 20 -4.000 31 2.000 4 252.390 230.650 195.050 167.200 144.490 125.320 108.460 99999.999 HgH4S3,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: SR89c 3 1.000 1 3.000 6 1.000 20 -48.530 -45.840 -41.970 -39.550 -38.350 -38.420 -40.500 99999.999 HgH4S3,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: SR89c 4 4.000 1 -6.000 31 1.000 20 3.000 4 366.490 333.480 278.970 235.790 199.970 168.820 139.680 99999.999 Hg(HS)3- P-T:L-V Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: SR89c 2 1.000 20 3.000 6 -42.280 -39.460 -35.110 -32.020 -29.870 -28.570 -28.340 99999.999 Hg(HS)3- P-T:L-V Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: SR89c 4 3.000 1 1.000 20 -6.000 31 3.000 4 372.740 339.860 285.830 243.320 208.450 178.670 151.840 99999.999 MgSO4,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: MA67 2 1.000 10 1.000 4 -2.400 -2.620 -3.060 -3.500 -4.000 -4.580 -5.230 99999.999 MnCl2,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: IS94 2 2.000 3 1.000 14 -0.040 -0.260 -1.100 -2.120 -3.280 -4.580 -6.100 -8.150 MnCl3- P-T:L-V Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: IS94 2 3.000 3 1.000 14 0.310 -0.180 -1.330 -2.590 -3.920 -5.290 -6.630 -7.700 MnCO3,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 2.000 Ref: WO78 3 -1.000 1 1.000 5 1.000 14 3.820 3.760 3.750 3.730 3.700 3.790 4.350 6.910 NaCO3- P-T:L-V Charge =-1. Radius(Å) = 1.81 Alk. = 2.000 Ref: BS78 3 -1.000 1 1.000 13 1.000 5 9.360 9.130 8.930 8.840 8.830 9.060 10.140 14.330 NaHCO3,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 1.000 Ref: SW76 2 1.000 13 1.000 5 1.100 0.900 0.570 0.340 -0.060 -0.340 -0.950 -1.900 NaHS,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: SW76 2 1.000 13 1.000 6 1.100 0.900 0.570 0.340 -0.060 -0.340 -0.950 -1.900 NaHS,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: SW76 4 1.000 1 1.000 13 -2.000 31 1.000 4 139.440 127.340 107.550 92.120 79.380 68.740 59.110 99999.999 NaSO4- P-T:L-V Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: BS78 2 1.000 13 1.000 4 -0.720 -0.790 -0.940 -1.120 -1.360 -1.710 -2.300 99999.999 NiCl2,aq P-T:L-V Charge = 0. Radius(Å) = 3.33 Alk. = 0.000 Ref: EH82 2 1.000 26 2.000 3 4.100 3.680 2.830 1.820 0.550 -0.980 -2.790 -4.870 NiO,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: WO90 3 -2.000 1 1.000 26 1.000 2 20.288 18.870 16.604 14.947 13.720 12.740 11.827 10.799 NiOH2,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: TL80B 3 -2.000 1 2.000 2 1.000 26 20.300 19.000 16.900 15.500 13.800 12.600 11.700 10.800 NiOH3- P-T:L-V Charge =-1. Radius(Å) = 3.38 Alk. = 0.000 Ref: TL80B 3 -3.000 1 3.000 2 1.000 26 29.800 28.400 26.000 24.200 22.690 21.400 16.500 99999.999 NiSO4,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: WO90 2 1.000 26 1.000 4 -2.118 -2.191 -2.335 -2.527 -2.833 -3.318 -4.046 -5.081 NiHSO4+ P-T:L-V Charge = 1. Radius(Å) = 5.11 Alk. = 0.000 Ref: SM76 3 1.000 1 1.000 4 1.000 26 -2.400 -2.500 -2.760 -3.100 -3.560 -4.200 -5.270 -7.560 PbCO3,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 2.000 Ref: WO82 3 -1.000 1 1.000 17 1.000 5 0.360 0.270 0.140 -0.100 -0.240 -0.140 1.070 99999.999 PbOH+ P-T:L-V Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: HC88 3 -1.000 1 1.000 2 1.000 17 6.200 5.660 4.860 4.260 3.780 3.300 2.950 99999.999 PbH4S3,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: BA79 3 1.000 1 3.000 6 1.000 17 -23.080 -21.980 -20.470 -19.680 -19.490 -20.010 -21.720 99999.999 PbH4S3,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: BA79 4 4.000 1 -6.000 31 1.000 17 3.000 4 391.940 357.340 300.470 255.660 218.830 187.230 158.460 99999.999 PdOH2,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: WM92A 3 -2.000 1 2.000 2 1.000 39 4.380 4.041 3.499 3.086 2.759 2.496 2.278 2.095 PdOH3- P-T:L-V Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: WM92A 3 -3.000 1 3.000 2 1.000 39 16.570 15.231 13.225 11.849 10.941 10.411 10.305 10.987 PdOH4-- P-T:L-V Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: WM92A 3 -4.000 1 4.000 2 1.000 39 29.560 27.159 23.590 21.177 19.627 18.783 18.748 20.262 Pd(HS)+ P-T:L-V Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: PW94 2 1.000 6 1.000 39 -40.002 -37.876 -34.705 -32.635 -31.257 -30.163 -28.942 -27.187 Pd(HS)+ P-T:L-V Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: PW94 4 1.000 1 -2.000 31 1.000 4 1.000 39 98.338 88.564 72.275 59.145 48.183 38.917 31.118 99999.999 Pd(HS)2,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: PW94 2 2.000 6 1.000 39 -44.111 -41.131 -37.152 -34.707 -32.883 -31.242 -29.826 -29.154 Pd(HS)2,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: PW94 4 2.000 1 -4.000 31 2.000 4 1.000 39 232.569 211.749 176.808 148.853 125.997 106.918 90.294 99999.999 Pd(HS)3- P-T:L-V Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: PW94 2 3.000 6 1.000 39 -47.801 -45.023 -40.227 -36.442 -33.638 -31.755 -30.702 -30.358 Pd(HS)3- P-T:L-V Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: PW94 4 3.000 1 -6.000 31 3.000 4 1.000 39 367.218 334.297 280.713 238.898 204.682 175.485 149.478 99999.999 Pd(HS)4-- P-T:L-V Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: PW94 2 4.000 6 1.000 39 -51.382 -49.056 -44.460 -40.568 -37.772 -36.050 -34.967 -33.669 Pd(HS)4-- P-T:L-V Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: PW94 4 4.000 1 -8.000 31 4.000 4 1.000 39 501.978 456.704 383.460 326.552 279.988 240.270 205.273 99999.999 PtOH2,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: WM92A 3 -2.000 1 2.000 2 1.000 40 -0.320 -0.295 -0.256 -0.225 -0.202 -0.182 -0.166 -0.153 PtOH3- P-T:L-V Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: WM92A 3 -3.000 1 3.000 2 1.000 40 11.170 10.249 8.911 8.045 7.539 7.335 7.496 8.404 PtOH4-- P-T:L-V Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: WM92A 3 -4.000 1 4.000 2 1.000 40 23.960 21.992 19.116 17.231 16.099 15.592 15.835 17.584 Pt(HS)+ P-T:L-V Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: PW94 2 1.000 6 1.000 40 -53.362 -50.061 -45.053 -41.692 -39.402 -37.610 -35.741 -33.222 Pt(HS)+ P-T:L-V Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: PW94 4 1.000 1 -2.000 31 1.000 4 1.000 40 84.978 76.379 61.927 50.088 40.038 31.470 24.319 99999.999 Pt(HS)2,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: PW94 2 2.000 6 1.000 40 -57.418 -53.416 -47.721 -43.939 -41.083 -38.626 -36.509 -35.136 Pt(HS)2,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: PW94 4 2.000 1 -4.000 31 2.000 4 1.000 40 219.262 199.464 166.239 139.621 117.797 99.534 83.611 99999.999 Pt(HS)3- P-T:L-V Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: PW94 2 3.000 6 1.000 40 -61.073 -57.333 -50.826 -45.683 -41.878 -39.261 -37.554 -36.359 Pt(HS)3- P-T:L-V Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: PW94 4 3.000 1 -6.000 31 3.000 4 1.000 40 353.947 321.987 270.114 229.657 196.442 167.979 142.626 99999.999 Pt(HS)4-- P-T:L-V Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: PW94 2 4.000 6 1.000 40 -64.996 -60.887 -54.251 -49.394 -45.919 -43.430 -41.531 -39.825 Pt(HS)4-- P-T:L-V Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: PW94 4 4.000 1 -8.000 31 4.000 4 1.000 40 488.364 444.873 373.669 317.726 271.841 232.890 198.709 99999.999 S-- P-T:L-V Charge =-2. Radius(Å) = 3.00 Alk. = 2.000 Ref: EG71 2 -1.000 1 1.000 6 17.150 16.690 16.020 15.580 15.310 15.100 14.900 99999.999 S-- P-T:L-V Charge =-2. Radius(Å) = 3.00 Alk. = 2.000 Ref: EG71 2 -2.000 31 1.000 4 155.490 143.130 123.000 107.360 94.750 84.180 74.960 99999.999 Sb(OH)2+ P-T:L-V Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: SR89b 3 1.000 1 -1.000 2 1.000 24 -1.490 -1.130 -0.540 -0.100 0.250 0.530 0.760 99999.999 Sb(OH)2F,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: SR89b 4 1.000 1 -1.000 2 1.000 24 1.000 23 -7.170 -6.820 -5.880 -5.910 -6.560 -7.190 -8.540 99999.999 Se-- P-T:L-V Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: XI03 2 -1.000 1 1.000 43 14.950 14.463 13.820 13.620 13.230 12.530 11.700 99999.999 SeO3-- P-T:L-V Charge =-2. Radius(Å) = 4.00 Alk. = 0.000 Ref: XI03 4 -0.250 1 0.750 4 1.000 43 -0.750 6 26.897 25.009 21.860 19.547 17.773 16.400 15.359 99999.999 SeO3-- P-T:L-V Charge =-2. Radius(Å) = 3.15 Alk. = 0.000 Ref: XI03 3 -1.000 1 1.500 31 1.000 43 -76.841 -70.065 -58.413 -49.293 -41.780 -35.370 -29.646 99999.999 SeO4-- P-T:L-V Charge =-2. Radius(Å) = 3.15 Alk. = 0.000 Ref: XI03 3 1.000 4 1.000 43 -1.000 6 47.492 43.833 37.680 33.082 29.464 26.540 24.152 99999.999 SeO4-- P-T:L-V Charge =-2. Radius(Å) = 3.15 Alk. = 0.000 Ref: XI03 3 -1.000 1 2.000 31 1.000 43 -90.824 -82.932 -69.350 -58.704 -49.940 -42.486 -35.854 99999.999 HSeO3- P-T:L-V Charge =-1. Radius(Å) = 3.15 Alk. = 0.000 Ref: XI03 4 0.750 1 0.750 4 1.000 43 -0.750 6 19.727 17.838 14.550 11.917 9.703 7.780 6.019 99999.999 HSeO3- P-T:L-V Charge =-1. Radius(Å) = 3.15 Alk. = 0.000 Ref: XI03 2 1.500 31 1.000 43 -84.011 -77.236 -65.723 -56.923 -49.850 -43.990 -38.986 99999.999 HSeO4- P-T:L-V Charge =-1. Radius(Å) = 2.37 Alk. = 0.000 Ref: XI03 4 1.000 1 1.000 4 1.000 43 -1.000 6 45.572 41.619 34.840 29.562 25.224 21.530 18.232 99999.999 HSeO4- P-T:L-V Charge =-1. Radius(Å) = 2.37 Alk. = 0.000 Ref: XI03 2 2.000 31 1.000 43 -92.744 -85.145 -72.190 -62.224 -54.180 -47.496 -41.774 99999.999 H2Se P-T:L-V Charge = 0.0 Radius(Å) = 9.99 Alk. = 0.000 Ref: XI03 2 1.000 1 1.000 43 -3.820 -3.957 -4.310 -4.770 -4.990 -4.930 -4.720 99999.999 H2SeO3 P-T:L-V Charge = 0.0 Radius(Å) = 4.00 Alk. = 0.000 Ref: XI03 4 1.750 1 0.750 4 1.000 43 -0.750 6 17.027 15.026 11.490 8.577 6.053 3.720 1.389 99999.999 H2SeO3 P-T:L-V Charge = 0.0 Radius(Å) = 4.00 Alk. = 0.000 Ref: XI03 3 1.000 1 1.500 31 1.000 43 -86.711 -80.048 -68.783 -60.263 -53.500 -48.050 -43.616 99999.999 H2SeO4 P-T:L-V Charge = 0.0 Radius(Å) = 4.00 Alk. = 0.000 Ref: XI03 4 2.000 1 1.000 4 1.000 43 -1.000 6 47.582 43.195 35.550 29.412 24.214 19.640 15.362 99999.999 H2SeO4 P-T:L-V Charge = 0.0 Radius(Å) = 4.00 Alk. = 0.000 Ref: XI03 3 1.000 1 2.000 31 1.000 43 -90.734 -83.570 -71.480 -62.374 -55.190 -49.386 -44.644 99999.999 SnCl+ P-T:L-V Charge =+1. Radius(Å) = 2.81 Alk. = 0. Ref: JH85 FTA 2 1.000 42 1.000 3 -1.05 -1.21 -1.53 -1.90 -2.35 -2.94 -3.86 -5.80 SnCl2 P-T:L-V Charge = 0. Radius(Å) = 2.60 Alk. = 0. Ref: JH85 FTA 2 1.000 42 2.000 3 -1.71 -1.87 -2.29 -2.88 -3.59 -4.49 -5.87 -9.03 SnCl3- P-T:L-V Charge =-1. Radius(Å) = 2.21 Alk. = 0. Ref: JH85 FTA 2 1.000 42 3.000 3 -1.69 -2.00 -2.67 -3.45 -4.31 -5.33 -6.81 -10.06 SnF+ P-T:L-V Charge =+1. Radius(Å) = 2.33 Alk. = 0. Ref: JH85 FTA 2 1.000 42 1.000 23 -4.08 -4.04 -4.06 -4.10 -4.22 -4.54 -5.16 -6.52 SnF2 P-T:L-V Charge =+0. Radius(Å) = 2.0 Alk. = 0. Ref: JH85 FTA 2 1.000 42 2.000 23 -6.68 -6.65 -6.77 -6.85 -7.30 -7.90 -8.92 -11.57 SnF3- P-T:L-V Charge =-1. Radius(Å) = 1.49 Alk. = 0. Ref: JH85 FTA 2 1.000 42 3.000 23 -9.46 -9.43 -9.63 -9.72 -10.08 -10.68 -11.70 -14.35 Sn++++ P-T:L-V Charge =+4. Radius(Å) = 4.47 Alk. = 0. Ref: JH85 FTA 5 2.250 1 -1.00 2 -0.250 6 1.000 42 0.250 4 -1.760 -1.390 -0.910 -0.610 -0.610 -0.220 -0.130 -1.460 Sn++++ P-T:L-V Charge =+4. Radius(Å) = 4.47 Alk. = 0. Ref: JH85 FTA 4 2.000 1 1.000 42 0.500 31 -1.000 2 -36.350 -33.000 -27.650 -23.550 -20.470 -17.490 -14.890 -11.610 Sn(OH)+++ P-T:L-V Charge =+3. Radius(Å) = 3.31 Alk. = 0. Ref: JH85 FTA 4 1.250 1 -0.250 6 1.000 42 0.250 4 -2.370 -1.920 -1.290 -0.950 -1.290 -0.930 -0.420 -0.570 Sn(OH)+++ P-T:L-V Charge =+3. Radius(Å) = 3.31 Alk. = 0. Ref: JH85 FTA 3 1.000 1 1.000 42 0.500 31 -36.960 -33.530 -28.030 -23.890 -21.150 -18.200 -15.430 -13.650 Sn(OH)2++ P-T:L-V Charge =+2. Radius(Å) = 2.73 Alk. = 0. Ref: JH85 FTA 5 0.250 1 -0.250 6 1.000 42 1.000 2 0.250 4 -1.590 -1.160 -0.540 -0.230 -0.670 -0.240 0.250 0.090 Sn(OH)2++ P-T:L-V Charge =+2. Radius(Å) = 2.73 Alk. = 0. Ref: JH85 FTA 3 1.000 42 1.000 2 0.500 31 -36.170 -32.770 -27.280 -23.170 -20.530 -17.510 -14.770 -12.990 Sn(OH)3+ P-T:L-V Charge =+1. Radius(Å) = 2.53 Alk. = 0. Ref: JH85 FTA 5 -0.750 1 -0.250 6 1.000 42 2.000 2 0.250 4 -2.300 -1.790 -1.000 -0.570 -1.050 -0.350 0.210 0.050 Sn(OH)3+ P-T:L-V Charge =+1. Radius(Å) = 2.53 Alk. = 0. Ref: JH85 FTA 4 -1.000 1 1.000 42 2.000 2 0.500 31 -36.880 -33.400 -27.740 -23.510 -20.910 -17.620 -14.810 -13.030 Sn(OH)4 P-T:L-V Charge =+0. Radius(Å) = 4.00 Alk. = 0. Ref: JH85 FTA 5 -1.75 1 -0.250 6 1.000 42 3.000 2 0.250 4 -2.640 -2.080 -1.170 0.180 -0.130 0.240 1.270 2.110 Sn(OH)4 P-T:L-V Charge =+0. Radius(Å) = 4.00 Alk. = 0. Ref: JH85 FTA 4 -2.000 1 1.000 42 3.000 2 0.500 31 -37.220 -33.690 -27.910 -22.770 -19.990 -17.030 -13.750 -10.970 Sn(OH)5- P-T:L-V Charge =-1. Radius(Å) = 1.91 Alk. = 0. Ref: PA86 FTA 5 -2.750 1 -0.250 6 1.000 42 4.000 2 0.250 4 99999.999 99999.999 99999.999 99999.999 10.190 10.190 10.190 9.650 Sn(OH)5- P-T:L-V Charge =-1. Radius(Å) = 1.91 Alk. = 0. Ref: PA86 FTA 4 -3.000 1 1.000 42 0.500 31 4.000 2 99999.999 99999.999 99999.999 99999.999 -4.83 -4.83 -4.83 -3.43 Sn(OH)2Cl2 P-T:L-V Charge =+0. Radius(Å) = 5.00 Alk. = 0. Ref: PA86 FTA 6 0.250 1 -0.250 6 1.000 42 2.000 3 1.000 2 0.250 4 99999.999 99999.999 -8.83 -8.83 -8.83 -8.46 -8.62 -10.35 Sn(OH)2Cl2 P-T:L-V Charge =+0. Radius(Å) = 5.00 Alk. = 0. Ref: PA86 FTA 4 1.000 42 2.000 3 0.500 31 1.000 2 99999.999 99999.999 -28.69 -28.69 -28.69 -25.73 -23.63 -23.43 Sn(OH)4Cl- P-T:L-V Charge =-1. Radius(Å) = 2.05 Alk. = 0. Ref: PA86 FTA 6 -1.750 1 -0.250 6 1.000 42 3.000 2 1.000 3 0.250 4 99999.999 99999.999 99999.999 99999.999 3.59 3.59 3.59 2.35 Sn(OH)4Cl- P-T:L-V Charge =-1. Radius(Å) = 2.05 Alk. = 0. Ref: PA86 FTA 5 -2.000 1 1.000 42 0.500 31 3.000 2 1.000 3 99999.999 99999.999 99999.999 99999.999 -11.43 -11.43 -11.43 -10.73 SrSO4,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: KB73 2 1.000 21 1.000 4 -2.200 -2.260 -2.520 -2.840 -3.250 -3.840 -4.810 -6.300 H2Te,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: ZH94 2 1.000 1 1.000 41 -2.640 -2.790 -3.210 -3.710 -4.280 -4.940 -5.670 -6.520 Te-- P-T:L-V Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: ZH94 2 -1.000 1 1.000 41 12.170 11.760 11.270 11.050 11.030 11.180 11.500 12.080 H2TeO3,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: ZH94 4 1.750 1 -0.750 6 0.750 4 1.000 41 -2.051 -2.722 -4.086 -5.472 -6.876 -8.364 -10.041 99999.999 H2TeO3,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: ZH94 3 1.000 1 1.500 31 1.000 41 -105.806 -97.552 -84.336 -74.307 -66.456 -60.174 -55.086 99999.999 HTeO3- P-T:L-V Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: ZH94 4 0.750 1 -0.750 6 0.750 4 1.000 41 1.840 1.228 0.015 -1.172 -2.306 -3.434 -4.641 99999.999 HTeO3- P-T:L-V Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: ZH94 2 1.500 31 1.000 41 -101.916 -93.602 -80.236 -70.007 -61.886 -55.244 -49.686 99999.999 TeO3-- P-T:L-V Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: ZH94 4 -0.250 1 -0.750 6 0.750 4 1.000 41 12.540 11.648 10.175 8.929 7.894 7.026 6.280 99999.999 TeO3-- P-T:L-V Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: ZH94 3 -1.000 1 1.500 31 1.000 41 -91.216 -83.182 -70.076 -59.907 -51.686 -44.784 -38.766 99999.999 Te2-- P-T:L-V Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: ZH94 5 0.250 1 -0.250 6 -1.000 2 0.250 4 2.000 41 16.643 14.792 11.763 9.369 7.366 5.624 4.072 0.003 Te2-- P-T:L-V Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: ZH94 3 -1.000 2 0.500 31 2.000 41 -51.079 -46.924 -40.209 -35.036 -30.942 -27.608 -24.769 99999.999 Ti(OH)3+ P-T:L-V Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Knauss01 3 1.000 1 1.000 34 -1.000 2 -1.652 -1.788 -2.28 -2.24 -2.29 -2.9 -3.31 -3.42 Ti(OH)5- P-T:L-V Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: Knauss01 3 -1.000 1 1.000 34 1.000 2 11.145 10.803 10.11 9.42 8.86 7.95 7.43 6.705 UO2CO3,aq Skip P-T:L-V Charge = 0. Radius(Å) = 0.00 Alk. = 2.000 Ref: WO90 3 -1.000 1 1.000 30 1.000 5 0.529 0.248 -0.283 -0.815 -1.401 99999.999 99999.999 99999.999 UO2SO4,aq Skip P-T:L-V Charge = 0. Radius(Å) = 0.00 Alk. = 0.000 Ref: WO90 2 1.000 30 1.000 4 -3.138 -3.418 -4.040 -4.788 -5.740 99999.999 99999.999 99999.999 UO2CO32= P-T:L-V Charge =-2. Radius(Å) = 4.00 Alk. = 4.000 Ref: WO90 3 -2.000 1 1.000 30 2.000 5 3.608 3.058 2.006 0.990 -0.038 -1.182 -2.646 99999.999 UO2CO33---- P-T:L-V Charge =-4. Radius(Å) = 4.00 Alk. = 6.000 Ref: WO90 3 -3.000 1 1.000 30 3.000 5 9.333 9.328 9.065 8.522 7.751 6.674 5.012 99999.999 UCl+++ P-T:L-V Charge = 3. Radius(Å) = 8.00 Alk. = 0.000 Ref: WO90 6 1.750 1 1.000 30 1.000 3 -1.000 2 0.250 6 -0.250 4 -2.135 -1.620 -0.870 -0.396 -0.119 -0.003 -0.090 99999.999 UCl+++ P-T:L-V Charge = 3. Radius(Å) = 8.00 Alk. = 0.000 Ref: WO90 5 2.000 1 1.000 30 1.000 3 -1.000 2 -0.500 31 32.450 29.992 25.875 22.549 19.741 17.267 14.925 99999.999 UCl4,aq P-T:L-V Charge = 0. Radius(Å) = 0.00 Alk. = 0.000 Ref: WO90 6 1.750 1 4.000 3 1.000 30 0.250 6 -1.000 2 -0.250 4 -0.965 -2.117 -2.793 -4.633 -7.183 5.450 6.310 99999.999 UCl4,aq P-T:L-V Charge = 0. Radius(Å) = 0.00 Alk. = 0.000 Ref: WO90 5 2.000 1 4.000 3 1.000 30 -0.500 31 -1.000 2 33.620 30.139 23.952 18.312 12.677 22.720 21.325 99999.999 UO2Cl+ P-T:L-V Charge = 1. Radius(Å) = 4.00 Alk. = 0.000 Ref: WO90 2 1.000 30 1.000 3 -0.235 -0.329 -0.641 -1.068 -1.585 -2.219 -3.067 99999.999 UO2Cl2,aq Skip P-T:L-V Charge = 0. Radius(Å) = 0.00 Alk. = 0.000 Ref: WO90 2 2.000 3 1.000 30 0.414 0.084 -0.544 -1.179 -1.886 99999.999 99999.999 99999.999 UF+++ P-T:L-V Charge = 3. Radius(Å) = 8.00 Alk. = 0.000 Ref: WO90 6 1.750 1 1.000 30 1.000 23 -1.000 2 0.250 6 -0.250 4 -9.433 -8.635 -7.421 -6.581 -6.015 -5.676 -5.618 99999.999 UF+++ P-T:L-V Charge = 3. Radius(Å) = 8.00 Alk. = 0.000 Ref: WO90 5 2.000 1 1.000 30 1.000 23 -1.000 2 -0.500 31 25.152 22.977 19.324 16.364 13.845 11.594 9.397 99999.999 UF2++ P-T:L-V Charge = 2. Radius(Å) = 5.00 Alk. = 0.000 Ref: WO90 6 1.750 1 1.000 30 2.000 23 -1.000 2 0.250 6 -0.250 4 -15.280 -14.626 -13.776 -13.361 -13.285 -13.550 -14.335 99999.999 UF2++ P-T:L-V Charge = 2. Radius(Å) = 5.00 Alk. = 0.000 Ref: WO90 5 2.000 1 1.000 30 2.000 23 -1.000 2 -0.500 31 19.305 16.986 12.969 9.584 6.575 3.720 0.680 99999.999 UF3+ P-T:L-V Charge = 1. Radius(Å) = 4.00 Alk. = 0.000 Ref: WO90 6 1.750 1 1.000 30 3.000 23 -1.000 2 0.250 6 -0.250 4 -19.955 -19.323 -18.655 -18.557 -18.915 -19.759 -21.387 99999.999 UF3+ P-T:L-V Charge = 1. Radius(Å) = 4.00 Alk. = 0.000 Ref: WO90 5 2.000 1 1.000 30 3.000 23 -1.000 2 -0.500 31 14.630 12.289 8.090 4.388 0.945 -2.489 -6.372 99999.999 UF4,aq P-T:L-V Charge = 0. Radius(Å) = 0.00 Alk. = 0.000 Ref: WO90 6 1.750 1 4.000 23 1.000 30 0.250 6 -1.000 2 -0.250 4 -26.462 -25.633 -23.105 -22.492 -23.090 5.450 6.310 99999.999 UF4,aq P-T:L-V Charge = 0. Radius(Å) = 0.00 Alk. = 0.000 Ref: WO90 5 2.000 1 4.000 23 1.000 30 -0.500 31 -1.000 2 8.123 6.623 3.640 0.453 -3.230 22.720 21.325 99999.999 UF5- P-T:L-V Charge =-1. Radius(Å) = 4.00 Alk. = 0.000 Ref: WO90 6 1.750 1 1.000 30 5.000 23 -1.000 2 0.250 6 -0.250 4 -26.078 -25.317 -24.481 -24.296 -24.672 -25.727 -28.011 99999.999 UF5- P-T:L-V Charge =-1. Radius(Å) = 4.00 Alk. = 0.000 Ref: WO90 5 2.000 1 1.000 30 5.000 23 -1.000 2 -0.500 31 8.507 6.295 2.264 -1.351 -4.812 -8.457 -12.996 99999.999 UF6-- P-T:L-V Charge =-2. Radius(Å) = 4.00 Alk. = 0.000 Ref: WO90 6 1.750 1 1.000 30 6.000 23 -1.000 2 0.250 6 -0.250 4 -28.553 -27.732 -26.995 -27.119 -27.962 -29.662 -32.877 99999.999 UF6-- P-T:L-V Charge =-2. Radius(Å) = 4.00 Alk. = 0.000 Ref: WO90 5 2.000 1 1.000 30 6.000 23 -1.000 2 -0.500 31 6.032 3.880 -0.250 -4.174 -8.102 -12.392 -17.862 99999.999 UO2F+ P-T:L-V Charge = 1. Radius(Å) = 4.00 Alk. = 0.000 Ref: WO90 2 1.000 30 1.000 23 -5.080 -5.081 -5.232 -5.524 -5.935 -6.494 -7.319 99999.999 UO2F2,aq Skip P-T:L-V Charge = 0. Radius(Å) = 0.00 Alk. = 0.000 Ref: WO90 2 2.000 23 1.000 30 -8.731 -8.776 -9.076 -9.679 -10.651 99999.999 99999.999 99999.999 UO2F3- P-T:L-V Charge =-1. Radius(Å) = 4.00 Alk. = 0.000 Ref: WO90 2 1.000 30 3.000 23 -11.240 -11.198 -11.214 -11.335 -11.614 -12.165 -13.395 99999.999 UO2F4-- P-T:L-V Charge =-2. Radius(Å) = 4.00 Alk. = 0.000 Ref: WO90 2 1.000 30 4.000 23 -12.429 -12.417 -12.719 -13.337 -14.275 -15.671 -18.036 99999.999 U(OH)2++ P-T:L-V Charge = 2. Radius(Å) = 5.00 Alk. = 0.000 Ref: WO90 5 -0.250 1 1.000 30 1.000 2 0.250 6 -0.250 4 1.451 1.567 1.852 2.162 2.492 2.843 3.244 99999.999 U(OH)2++ P-T:L-V Charge = 2. Radius(Å) = 5.00 Alk. = 0.000 Ref: WO90 3 1.000 30 1.000 2 -0.500 31 36.036 33.180 28.597 25.107 22.352 20.113 18.259 99999.999 U(OH)3+ P-T:L-V Charge = 1. Radius(Å) = 4.00 Alk. = 0.000 Ref: WO90 5 -1.250 1 1.000 30 2.000 2 0.250 6 -0.250 4 4.079 3.925 3.781 3.760 3.820 3.937 4.127 99999.999 U(OH)3+ P-T:L-V Charge = 1. Radius(Å) = 4.00 Alk. = 0.000 Ref: WO90 4 -1.000 1 1.000 30 2.000 2 -0.500 31 38.664 35.537 30.526 26.705 23.680 21.207 19.142 99999.999 U(OH)5- P-T:L-V Charge =-1. Radius(Å) = 4.00 Alk. = 0.000 Ref: WO90 5 -3.250 1 1.000 30 4.000 2 0.250 6 -0.250 4 15.698 15.094 14.605 14.736 15.267 16.098 17.162 99999.999 U(OH)5- P-T:L-V Charge =-1. Radius(Å) = 4.00 Alk. = 0.000 Ref: WO90 4 -3.000 1 1.000 30 4.000 2 -0.500 31 50.283 46.706 41.350 37.681 35.127 33.368 32.177 99999.999 (UO2)2(OH)2++ P-T:L-V Charge = 2. Radius(Å) = 5.00 Alk. = 0.000 Ref: WO90 3 -2.000 1 2.000 30 2.000 2 5.680 5.134 4.410 4.026 3.859 3.834 3.901 99999.999 (UO2)3(OH)5+ P-T:L-V Charge = 1. Radius(Å) = 4.00 Alk. = 0.000 Ref: WO90 3 -5.000 1 3.000 30 5.000 2 15.819 14.458 12.566 11.432 10.788 10.456 10.327 99999.999 (UO2)3(OH)7- P-T:L-V Charge =-1. Radius(Å) = 4.00 Alk. = 0.000 Ref: WO90 3 -7.000 1 3.000 30 7.000 2 28.338 25.816 22.010 19.355 17.443 15.983 14.832 99999.999 USO4++ P-T:L-V Charge = 2. Radius(Å) = 5.00 Alk. = 0.000 Ref: WO90 5 1.750 1 1.000 30 0.750 4 -1.000 2 0.250 6 -6.261 -5.399 -4.309 -3.829 -3.782 -4.124 -4.991 99999.999 USO4++ P-T:L-V Charge = 2. Radius(Å) = 5.00 Alk. = 0.000 Ref: WO90 5 2.000 1 1.000 30 1.000 4 -1.000 2 -0.500 31 28.324 26.214 22.436 19.116 16.078 13.146 10.024 99999.999 UO2SO42-- P-T:L-V Charge =-2. Radius(Å) = 4.00 Alk. = 0.000 Ref: WO90 2 1.000 30 2.000 4 -4.250 -4.654 -5.705 -6.973 -8.459 -10.308 -12.985 99999.999 H2WO4 P-T:L-V Charge = 0. Radius(Å) = 3.34 Alk. = 0.000 Ref: HE90 FTA 2 2.000 1 1.000 44 99999.999 -9.600 -9.600 -9.600 -10.200 -10.800 -11.600 -12.400 HWO4- P-T:L-V Charge =-1. Radius(Å) = 3.34 Alk. = 0.000 Ref: HE90 FTA 2 1.000 1 1.000 44 99999.999 -5.400 -5.400 -5.400 -6.100 -6.900 -7.700 -8.600 ZnHCO3+ P-T:L-V Charge = 1. Radius(Å) = 2.31 Alk. = 1.000 Ref: BO86 2 1.000 15 1.000 5 -1.420 -1.550 -1.820 -2.200 -2.710 -3.410 -4.550 -6.030 ZnSO4,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: LA70 2 1.000 15 1.000 4 -2.320 -2.410 -2.660 -2.980 -3.350 -3.800 -4.350 -5.020 Zn(HS)2,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: BO86 2 1.000 15 2.000 6 -12.950 -12.620 -12.300 -12.300 -12.900 -13.800 -15.000 -16.300 Zn(HS)2,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: BO86 4 2.000 1 1.000 15 -4.000 31 2.000 4 263.730 240.260 201.660 171.260 145.980 124.360 105.120 99999.999 Zn(HS)3- P-T:L-V Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: BO86 2 1.000 15 3.000 6 -15.170 -14.700 -14.200 -14.200 -14.600 -15.300 -16.200 -17.100 Zn(HS)3- P-T:L-V Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: BO86 4 3.000 1 1.000 15 -6.000 31 3.000 4 399.850 364.620 306.740 261.140 223.720 191.940 163.980 99999.999 Zn(HS)4-- P-T:L-V Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: BO83 2 1.000 15 4.000 6 -13.400 -13.150 -13.000 -13.300 -14.000 -15.000 -16.000 -17.100 Zn(HS)4-- P-T:L-V Charge =-2. Radius(Å) = 3.00 Alk. = 0.000 Ref: BO83 4 4.000 1 1.000 15 -8.000 31 4.000 4 539.960 492.610 414.920 353.820 303.760 261.320 224.240 99999.999 HAc,aq P-T:L-V Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: GK94 2 1.000 1 1.000 35 -4.760 -4.791 -4.939 -5.181 -5.520 -5.990 -6.660 99999.999 AgAc,aq P-T:L-V Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: SK93 2 1.000 18 1.000 35 -0.730 -0.720 -0.860 -1.100 -1.430 -1.840 -2.400 -3.300 AlAc++ P-T:L-V Charge = 2. Radius(Å) = 4.00 Alk. = 0.000 Ref: SK93 2 1.000 8 1.000 35 -2.750 -3.060 -3.810 -4.660 -5.570 -6.540 -7.620 -8.710 AlAc2+ P-T:L-V Charge = 1. Radius(Å) = 2.50 Alk. = 0.000 Ref: SK93 2 1.000 8 2.000 35 -4.600 -5.170 -6.570 -8.150 -9.850 -11.700 -13.800 -16.000 BaAc+ P-T:L-V Charge = 1. Radius(Å) = 2.50 Alk. = 0.000 Ref: SK93 2 1.000 22 1.000 35 -0.990 -1.140 -1.590 -2.160 -2.800 -3.530 -4.420 -5.600 CaAc+ P-T:L-V Charge = 1. Radius(Å) = 2.50 Alk. = 0.000 Ref: SK93 2 1.000 9 1.000 35 -0.930 -1.000 -1.350 -1.840 -2.430 -3.120 -3.980 -4.510 CaAc2,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: HC88 2 2.000 35 1.000 9 -1.900 -2.100 -2.400 -2.800 -3.300 99999.999 99999.999 99999.999 CoAc+ P-T:L-V Charge = 1. Radius(Å) = 2.50 Alk. = 0.000 Ref: SK93 2 1.000 28 1.000 35 -1.460 -1.400 -1.520 -1.820 -2.260 -2.820 -3.540 -4.500 CoAc2,aq P-T:L-V Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: SK93 2 1.000 28 2.000 35 -2.370 -2.190 -2.360 -2.970 -3.850 -4.980 -6.460 -8.480 CuAc,aq P-T:L-V Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: SK93 2 1.000 16 1.000 35 -0.330 -0.320 -0.460 -0.740 -1.110 -1.560 -2.180 -3.130 CuAc+ P-T:L-V Charge = 1. Radius(Å) = 2.50 Alk. = 0.000 Ref: SK93 6 1.125 1 0.125 4 1.000 16 -0.500 2 -0.125 6 1.000 35 -3.711 -3.106 -2.357 -1.982 -1.862 -1.942 -2.224 -2.903 CuAc+ P-T:L-V Charge = 1. Radius(Å) = 2.50 Alk. = 0.000 Ref: SK93 5 1.000 1 1.000 16 -0.500 2 0.250 31 1.000 35 -21.000 -18.910 -15.736 -13.455 -11.788 -10.570 -9.725 -9.347 CuAc2,aq P-T:L-V Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: SK93 6 1.125 1 0.125 4 1.000 16 -0.500 2 -0.125 6 2.000 35 -5.111 -4.376 -3.677 -3.612 -3.952 -4.622 -5.674 -7.443 CuAc2,aq P-T:L-V Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: SK93 5 1.000 1 1.000 16 -0.500 2 0.250 31 2.000 35 -22.400 -20.180 -17.056 -15.085 -13.878 -13.250 -13.175 -13.887 KAc,aq P-T:L-V Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: SK93 2 1.000 12 1.000 35 0.260 0.160 -0.130 -0.480 -0.880 -1.340 -1.930 -2.850 MgAc+ P-T:L-V Charge = 1. Radius(Å) = 2.50 Alk. = 0.000 Ref: SK93 2 1.000 10 1.000 35 -1.280 -1.220 -1.350 -1.670 -2.100 -2.650 -3.370 -4.330 MnAc+ P-T:L-V Charge = 1. Radius(Å) = 2.50 Alk. = 0.000 Ref: SK93 2 1.000 14 1.000 35 -1.220 -1.240 -1.500 -1.920 -2.470 -3.120 -3.930 -4.440 MnAc2,aq P-T:L-V Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: SK93 2 1.000 14 2.000 35 -2.060 -2.030 -2.490 -3.340 -4.440 -5.750 -7.400 -9.590 NaAc,aq P-T:L-V Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: SK93 2 1.000 13 1.000 35 0.100 0.060 -0.140 -0.440 -0.810 -1.250 -1.840 -2.760 NH4Ac,aq P-T:L-V Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: SK93 2 1.000 32 1.000 35 -0.210 -0.300 -0.600 -1.000 -1.460 -1.990 -2.650 -3.640 NH4Ac,aq P-T:L-V Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: SK93 3 1.000 1 1.000 48 1.000 35 -9.451 -8.838 -8.001 -7.516 -7.259 -7.189 -7.327 -7.826 NiAc+ P-T:L-V Charge = 1. Radius(Å) = 2.50 Alk. = 0.000 Ref: SK93 2 1.000 26 1.000 35 -1.430 -1.340 -1.410 -1.670 -2.050 -2.560 -3.240 -4.160 NiAc2,aq P-T:L-V Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: SK93 2 1.000 26 2.000 35 -2.320 -2.080 -2.140 -2.610 -3.380 -4.390 -5.770 -7.670 PbAc+ P-T:L-V Charge = 1. Radius(Å) = 2.50 Alk. = 0.000 Ref: SK93 2 1.000 17 1.000 35 -2.400 -2.450 -2.740 -3.170 -3.700 -4.330 -5.140 -6.230 PbAc2,aq P-T:L-V Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: SK93 2 1.000 17 2.000 35 -3.400 -3.650 -4.480 -5.530 -6.730 -8.080 -9.710 -11.900 PbAc3- P-T:L-V Charge =-1. Radius(Å) = 2.50 Alk. = 0.000 Ref: GK94 2 1.000 17 3.000 35 -3.720 -3.670 -3.660 -3.770 -4.020 99999.999 99999.999 99999.999 SrAc+ P-T:L-V Charge = 1. Radius(Å) = 2.50 Alk. = 0.000 Ref: SK93 2 1.000 21 1.000 35 -1.150 -1.230 -1.570 -2.040 -2.600 -3.260 -4.070 -5.140 HOxal- P-T:L-V Charge =-1. Radius(Å) = 2.50 Alk. = 1.000 Ref: GK94 2 1.000 1 1.000 36 -4.280 -4.410 -4.790 -5.260 -5.810 99999.999 99999.999 99999.999 H2Oxal,aq P-T:L-V Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: GK94 2 2.000 1 1.000 36 -5.550 -5.770 -6.370 -7.100 -7.970 99999.999 99999.999 99999.999 AlOxal+ P-T:L-V Charge = 1. Radius(Å) = 2.50 Alk. = 0.000 Ref: GK94 2 1.000 8 1.000 36 -5.190 -5.580 -6.350 -7.150 -7.900 99999.999 99999.999 99999.999 AlOxal2- P-T:L-V Charge =-1. Radius(Å) = 4.00 Alk. = 0.000 Ref: GK94 2 1.000 8 2.000 36 -11.000 -11.000 -11.000 -11.000 -11.000 99999.999 99999.999 99999.999 AlOx3--- P-T:L-V Charge =-3. Radius(Å) = 4.00 Alk. = 0.000 Ref: GK94 2 1.000 8 3.000 36 -15.000 -15.600 -17.000 -18.300 -19.600 99999.999 99999.999 99999.999 CaOxal,aq P-T:L-V Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: GK94 2 1.000 9 1.000 36 -3.000 -3.000 -3.000 -3.000 -3.000 99999.999 99999.999 99999.999 CaOxal2 P-T:L-V Charge =-2. Radius(Å) = 4.00 Alk. = 0.000 Ref: HC88 2 2.000 36 1.000 9 -4.600 -4.800 -5.300 -6.000 -6.900 99999.999 99999.999 99999.999 FeOxal,aq P-T:L-V Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: GK94 2 1.000 11 1.000 36 -4.400 -4.500 -4.900 -5.200 -5.800 99999.999 99999.999 99999.999 KOxal- P-T:L-V Charge =-1. Radius(Å) = 2.50 Alk. = 0.000 Ref: GK94 2 1.000 12 1.000 36 -0.700 -0.700 -0.700 -0.700 -0.700 99999.999 99999.999 99999.999 MgOxal,aq P-T:L-V Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: GK94 2 1.000 10 1.000 36 -3.470 -3.470 -3.470 -3.470 -3.470 99999.999 99999.999 99999.999 NaOxal- P-T:L-V Charge =-1. Radius(Å) = 2.50 Alk. = 0.000 Ref: GK94 2 1.000 13 1.000 36 -0.900 -0.900 -0.900 -0.900 -0.900 99999.999 99999.999 99999.999 PbOxal,aq P-T:L-V Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: GK94 2 1.000 17 1.000 36 -5.360 -5.490 -5.920 -6.580 -7.400 99999.999 99999.999 99999.999 PbOx2-- P-T:L-V Charge =-2. Radius(Å) = 4.00 Alk. = 0.000 Ref: GK94 2 1.000 17 2.000 36 -7.460 -7.580 -8.100 -8.820 -9.680 99999.999 99999.999 99999.999 ZnOxal,aq P-T:L-V Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: GK94 2 1.000 15 1.000 36 -4.900 -4.900 -5.100 -5.400 -5.900 99999.999 99999.999 99999.999 HSuc- P-T:L-V Charge =-1. Radius(Å) = 2.50 Alk. = 1.000 Ref: GK94 2 1.000 1 1.000 37 -5.640 -5.680 -5.890 -6.250 -6.890 99999.999 99999.999 99999.999 H2Suc,aq P-T:L-V Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: GK94 2 2.000 1 1.000 37 -9.850 -9.860 -10.140 -10.690 -11.690 99999.999 99999.999 99999.999 AlSuc+ P-T:L-V Charge = 1. Radius(Å) = 2.50 Alk. = 0.000 Ref: GK94 2 1.000 8 1.000 37 -5.300 -5.300 -5.300 -5.300 -5.300 99999.999 99999.999 99999.999 AlSuc2- P-T:L-V Charge =-1. Radius(Å) = 2.50 Alk. = 0.000 Ref: GK94 2 1.000 8 2.000 37 -10.000 -10.000 -10.000 -10.000 -10.000 99999.999 99999.999 99999.999 CaSuc,aq P-T:L-V Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: GK94 2 1.000 9 1.000 37 -2.000 -2.000 -2.000 -2.000 -2.000 99999.999 99999.999 99999.999 FeSuc,aq P-T:L-V Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: GK94 2 1.000 11 1.000 37 -2.200 -2.400 -2.800 -3.300 -3.900 99999.999 99999.999 99999.999 KSuc- P-T:L-V Charge =-1. Radius(Å) = 2.50 Alk. = 0.000 Ref: GK94 2 1.000 12 1.000 37 -0.300 -0.300 -0.300 -0.300 -0.300 99999.999 99999.999 99999.999 MgSuc,aq P-T:L-V Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: GK94 2 1.000 10 1.000 37 -2.050 -2.050 -2.050 -2.050 -2.050 99999.999 99999.999 99999.999 NaSuc- P-T:L-V Charge =-1. Radius(Å) = 2.50 Alk. = 0.000 Ref: GK94 2 1.000 13 1.000 37 -0.300 -0.300 -0.300 -0.300 -0.300 99999.999 99999.999 99999.999 PbSuc,aq P-T:L-V Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: GK94 2 1.000 17 1.000 37 -3.500 -3.700 -4.300 -5.000 -5.900 99999.999 99999.999 99999.999 ZnSuc,aq P-T:L-V Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: GK94 2 1.000 15 1.000 37 -2.460 -2.730 -3.330 -4.020 -4.850 99999.999 99999.999 99999.999 HMal- P-T:L-V Charge =-1. Radius(Å) = 2.50 Alk. = 1.000 Ref: GK94 2 1.000 1 1.000 38 -5.700 -5.810 -6.140 99999.999 99999.999 99999.999 99999.999 99999.999 H2Mal,aq P-T:L-V Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: GK94 2 2.000 1 1.000 38 -8.550 -8.690 -9.160 99999.999 99999.999 99999.999 99999.999 99999.999 AlMal+ P-T:L-V Charge = 1. Radius(Å) = 2.50 Alk. = 0.000 Ref: GK94 2 1.000 8 1.000 38 -3.560 -5.730 -8.220 -11.510 -15.300 99999.999 99999.999 99999.999 CaMal,aq P-T:L-V Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: GK94 2 1.000 9 1.000 38 -2.510 -2.900 -3.390 -4.090 -4.950 99999.999 99999.999 99999.999 FeMal,aq P-T:L-V Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: GK94 2 1.000 11 1.000 38 -2.800 -3.240 -3.730 -4.360 -4.980 99999.999 99999.999 99999.999 MgMal,aq P-T:L-V Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: GK94 2 1.000 10 1.000 38 -2.900 -3.190 -3.580 -4.160 -4.900 99999.999 99999.999 99999.999 NaMal- P-T:L-V Charge =-1. Radius(Å) = 2.50 Alk. = 0.000 Ref: GK94 2 1.000 13 1.000 38 -0.740 -0.740 -0.740 -0.740 -0.740 99999.999 99999.999 99999.999 PbMal,aq P-T:L-V Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: GK94 2 1.000 17 1.000 38 -2.540 -2.970 -3.470 -4.090 -4.720 99999.999 99999.999 99999.999 ZnMal,aq P-T:L-V Charge = 0. Radius(Å) = 2.50 Alk. = 0.000 Ref: GK94 2 1.000 15 1.000 38 -3.850 -4.140 -4.550 -5.180 -6.010 99999.999 99999.999 99999.999 PO4-3 Skip P-T:L-V Charge =-3. Radius(Å) = 5.00 Alk. = 2.000 Ref: KH88 2 -1.000 1 1.000 27 12.340 12.180 12.100 12.200 12.450 12.800 13.300 13.800 H2PO4- Skip P-T:L-V Charge =-1. Radius(Å) = 2.00 Alk. = 0.000 Ref: KH88 2 1.000 1 1.000 27 -7.200 -7.180 -7.330 -7.570 -7.900 -8.360 -8.960 -10.400 H3PO4 Skip P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: KH88 2 2.000 1 1.000 27 -9.350 -9.450 -9.920 -10.530 -11.260 -12.170 -13.300 -15.350 CaPO4- P-T:L-V Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: KH88 3 -1.000 1 1.000 27 1.000 9 5.870 5.490 4.870 4.110 3.260 2.030 -0.110 -5.310 CaHPO4 P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 1.000 Ref: KH88 2 1.000 27 1.000 9 9.730 9.360 8.810 8.330 7.870 7.240 6.170 3.340 CaH2PO4+ P-T:L-V Charge =+1. Radius(Å) = 2.31 Alk. = 0.000 Ref: KH88 3 1.000 1 1.000 27 1.000 9 10.900 10.530 10.000 9.600 9.240 8.790 8.030 5.900 NaHPO4- P-T:L-V Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: KH88 2 1.000 27 1.000 13 12.050 11.670 11.050 10.290 9.440 8.210 6.070 1.380 KHPO4- P-T:L-V Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: KH88 2 1.000 27 1.000 12 12.050 11.670 11.050 10.290 9.440 8.210 6.070 1.380 FeHPO4 P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 1.000 Ref: KH88 2 1.000 27 1.000 11 8.740 8.460 8.010 7.640 7.450 7.200 7.000 6.700 MgPO4- P-T:L-V Charge =-1. Radius(Å) = 1.81 Alk. = 0.000 Ref: KH88 3 -1.000 1 1.000 27 1.000 10 5.870 5.490 4.870 4.110 3.260 2.030 -0.110 -5.310 MgHPO4 P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 1.000 Ref: KH88 2 1.000 27 1.000 10 9.230 8.860 8.310 7.830 7.370 6.740 5.670 2.800 MgH2PO4+ P-T:L-V Charge =+1. Radius(Å) = 2.31 Alk. = 0.000 Ref: KH88 3 1.000 1 1.000 27 1.000 10 10.900 10.530 10.000 9.600 9.240 8.790 8.030 5.900 MnHPO4 P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 1.000 Ref: KH88 2 1.000 27 1.000 14 8.760 8.480 8.030 7.650 7.470 7.200 7.000 6.700 B12 COE -1954.696 7.748054 -0.0102901 B13 COE -1103.019 4.52872 -.00507785 B23 COE -800.592 2.28989 -.00153919 C112 COE 104.453 -.38428 0.00036586 C122 COE -8.284265 0.0119097 0.80888E-05 C113 COE 0. 0. 0. C133 COE 0. 0. 0. C223 COE 2.991602 -.0104893 0.10263E-04 C233 COE 1.583835 -.0049208 .430104E-05 C123 COE 0. 0. 0. H2O,gas H2O Ssln ID, Coef: 6 1.000 GAS P-T:All Wt.(g/mol) = 18.010 Ref: H&P2011 1 1.000 2 B,C -6191.41421 14.852822 -0.00914267 -66.3325857 0.182767 -.00013274 2.226 1.511 0.921 0.427 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.226 1.511 0.921 0.427 0.010 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.226 1.511 0.920 0.427 0.010 -0.345 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.225 1.510 0.920 0.426 0.009 -0.346 -0.651 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.223 1.509 0.918 0.425 0.008 -0.347 -0.652 -0.915 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.221 1.507 0.916 0.423 0.007 -0.348 -0.653 -0.917 -1.145 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.218 1.503 0.914 0.421 0.004 -0.351 -0.656 -0.919 -1.148 -1.347 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.213 1.499 0.909 0.417 0.000 -0.354 -0.659 -0.922 -1.151 -1.350 -1.524 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.206 1.493 0.904 0.411 -0.005 -0.359 -0.664 -0.927 -1.155 -1.355 -1.529 -1.681 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.197 1.484 0.896 0.404 -0.012 -0.366 -0.670 -0.933 -1.161 -1.360 -1.535 -1.687 -1.820 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.185 1.473 0.886 0.394 -0.021 -0.375 -0.679 -0.941 -1.169 -1.368 -1.542 -1.695 -1.828 -1.944 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.170 1.459 0.873 0.382 -0.033 -0.386 -0.689 -0.952 -1.179 -1.378 -1.552 -1.705 -1.838 -1.955 -2.055 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.158 1.448 0.862 0.372 -0.042 -0.395 -0.698 -0.960 -1.187 -1.386 -1.560 -1.712 -1.846 -1.963 -2.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.141 1.433 0.848 0.359 -0.055 -0.407 -0.710 -0.971 -1.199 -1.397 -1.571 -1.723 -1.857 -1.974 -2.076 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.124 1.417 0.833 0.345 -0.068 -0.419 -0.722 -0.983 -1.210 -1.408 -1.582 -1.734 -1.868 -1.986 -2.088 -2.247 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.107 1.402 0.819 0.331 -0.081 -0.432 -0.734 -0.994 -1.221 -1.419 -1.593 -1.745 -1.879 -1.997 -2.099 -2.263 -2.289 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.090 1.386 0.804 0.318 -0.094 -0.444 -0.745 -1.006 -1.232 -1.430 -1.604 -1.756 -1.890 -2.008 -2.111 -2.277 -2.304 -2.329 -2.351 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.073 1.370 0.790 0.304 -0.106 -0.456 -0.757 -1.017 -1.243 -1.441 -1.614 -1.766 -1.900 -2.018 -2.122 -2.290 -2.318 -2.344 -2.367 -2.389 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.056 1.355 0.775 0.290 -0.119 -0.469 -0.769 -1.029 -1.255 -1.452 -1.625 -1.777 -1.911 -2.029 -2.133 -2.303 -2.331 -2.357 -2.382 -2.405 -2.426 -2.444 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.039 1.339 0.761 0.277 -0.132 -0.481 -0.781 -1.040 -1.266 -1.463 -1.636 -1.788 -1.922 -2.040 -2.144 -2.315 -2.343 -2.370 -2.396 -2.419 -2.441 -2.461 -2.479 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.023 1.324 0.746 0.263 -0.145 -0.493 -0.793 -1.051 -1.277 -1.474 -1.646 -1.798 -1.932 -2.050 -2.154 -2.326 -2.355 -2.383 -2.408 -2.432 -2.455 -2.476 -2.495 -2.513 -2.529 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.006 1.309 0.732 0.250 -0.158 -0.505 -0.804 -1.063 -1.288 -1.484 -1.657 -1.809 -1.942 -2.061 -2.165 -2.337 -2.367 -2.394 -2.420 -2.445 -2.468 -2.490 -2.510 -2.528 -2.546 -2.562 -2.576 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.989 1.293 0.718 0.236 -0.171 -0.518 -0.816 -1.074 -1.299 -1.495 -1.667 -1.819 -1.953 -2.071 -2.175 -2.349 -2.378 -2.406 -2.432 -2.457 -2.481 -2.503 -2.523 -2.543 -2.561 -2.577 -2.593 -2.607 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.973 1.278 0.703 0.223 -0.183 -0.530 -0.828 -1.085 -1.310 -1.506 -1.678 -1.829 -1.963 -2.081 -2.186 -2.359 -2.389 -2.417 -2.444 -2.469 -2.493 -2.515 -2.536 -2.556 -2.574 -2.592 -2.608 -2.623 -2.637 -2.650 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.956 1.262 0.689 0.209 -0.196 -0.542 -0.839 -1.097 -1.320 -1.516 -1.688 -1.840 -1.973 -2.091 -2.196 -2.370 -2.400 -2.428 -2.455 -2.480 -2.504 -2.527 -2.549 -2.569 -2.588 -2.605 -2.622 -2.638 -2.652 -2.666 -2.679 99999.999 99999.999 99999.999 99999.999 99999.999 1.939 1.247 0.675 0.196 -0.209 -0.554 -0.851 -1.108 -1.331 -1.527 -1.699 -1.850 -1.983 -2.102 -2.206 -2.381 -2.411 -2.439 -2.466 -2.492 -2.516 -2.539 -2.560 -2.581 -2.600 -2.618 -2.636 -2.652 -2.667 -2.681 -2.694 -2.707 -2.718 99999.999 99999.999 99999.999 1.923 1.232 0.661 0.183 -0.221 -0.566 -0.862 -1.119 -1.342 -1.537 -1.709 -1.860 -1.994 -2.112 -2.216 -2.391 -2.421 -2.450 -2.477 -2.502 -2.527 -2.550 -2.572 -2.593 -2.612 -2.631 -2.648 -2.665 -2.680 -2.695 -2.709 -2.721 -2.734 -2.745 99999.999 99999.999 1.906 1.217 0.646 0.169 -0.234 -0.578 -0.874 -1.130 -1.353 -1.548 -1.719 -1.870 -2.004 -2.122 -2.226 -2.401 -2.431 -2.460 -2.487 -2.513 -2.538 -2.561 -2.583 -2.604 -2.624 -2.643 -2.661 -2.678 -2.693 -2.708 -2.722 -2.736 -2.748 -2.760 -2.771 -2.781 1.890 1.201 0.632 0.156 -0.247 -0.590 -0.886 -1.141 -1.364 -1.558 -1.730 -1.880 -2.014 -2.132 -2.236 -2.411 -2.442 -2.470 -2.498 -2.524 -2.549 -2.572 -2.594 -2.616 -2.636 -2.655 -2.673 -2.690 -2.706 -2.721 -2.735 -2.749 -2.762 -2.774 -2.785 -2.796 1.726 1.051 0.492 0.024 -0.372 -0.709 -1.000 -1.251 -1.470 -1.662 -1.830 -1.979 -2.111 -2.228 -2.332 -2.508 -2.539 -2.568 -2.596 -2.622 -2.648 -2.672 -2.695 -2.718 -2.739 -2.759 -2.778 -2.797 -2.815 -2.831 -2.847 -2.863 -2.877 -2.891 -2.905 -2.917 1.566 0.902 0.353 -0.106 -0.495 -0.826 -1.112 -1.359 -1.574 -1.763 -1.929 -2.075 -2.205 -2.321 -2.424 -2.598 -2.629 -2.658 -2.686 -2.713 -2.738 -2.763 -2.786 -2.809 -2.830 -2.851 -2.871 -2.890 -2.908 -2.925 -2.942 -2.958 -2.973 -2.988 -3.002 -3.015 1.408 0.756 0.217 -0.234 -0.616 -0.942 -1.222 -1.464 -1.676 -1.861 -2.025 -2.169 -2.297 -2.411 -2.512 -2.685 -2.715 -2.744 -2.772 -2.798 -2.824 -2.848 -2.872 -2.894 -2.916 -2.936 -2.956 -2.975 -2.993 -3.011 -3.028 -3.044 -3.059 -3.074 -3.088 -3.102 1.252 0.612 0.082 -0.361 -0.735 -1.055 -1.330 -1.568 -1.776 -1.958 -2.118 -2.260 -2.386 -2.498 -2.598 -2.768 -2.798 -2.826 -2.854 -2.880 -2.905 -2.929 -2.953 -2.975 -2.996 -3.017 -3.037 -3.055 -3.074 -3.091 -3.108 -3.124 -3.139 -3.154 -3.169 -3.182 1.097 0.469 -0.050 -0.485 -0.853 -1.167 -1.437 -1.671 -1.875 -2.053 -2.211 -2.350 -2.473 -2.583 -2.682 -2.849 -2.878 -2.906 -2.933 -2.959 -2.984 -3.008 -3.031 -3.053 -3.074 -3.094 -3.113 -3.132 -3.150 -3.167 -3.184 -3.200 -3.215 -3.230 -3.244 -3.258 0.944 0.328 -0.182 -0.609 -0.970 -1.278 -1.543 -1.772 -1.972 -2.147 -2.301 -2.438 -2.559 -2.667 -2.763 -2.927 -2.956 -2.984 -3.010 -3.036 -3.060 -3.084 -3.106 -3.128 -3.148 -3.168 -3.188 -3.206 -3.224 -3.241 -3.257 -3.273 -3.288 -3.303 -3.317 -3.330 0.793 0.189 -0.312 -0.731 -1.085 -1.387 -1.647 -1.872 -2.068 -2.239 -2.391 -2.524 -2.643 -2.749 -2.843 -3.004 -3.032 -3.059 -3.085 -3.110 -3.134 -3.157 -3.179 -3.201 -3.221 -3.241 -3.260 -3.278 -3.295 -3.312 -3.328 -3.343 -3.358 -3.373 -3.387 -3.400 99999.999 0.051 -0.441 -0.852 -1.199 -1.495 -1.750 -1.970 -2.162 -2.331 -2.479 -2.610 -2.726 -2.829 -2.922 -3.079 -3.107 -3.133 -3.159 -3.183 -3.207 -3.229 -3.251 -3.272 -3.292 -3.311 -3.329 -3.347 -3.364 -3.381 -3.397 -3.412 -3.426 -3.440 -3.454 -3.467 CO2,gas CO2 Ssln ID, Coef: 6 1.000 GAS P-T:All Wt.(g/mol) = 44.010 Ref: H&P2011 3 1.000 5 1.000 1 -1.000 2 B,C -1430.86935 3.5980000 -0.00227376 3.4764425 -0.01042469 8.46271E-06 -7.675 -7.812 -7.979 -8.162 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.675 -7.812 -7.979 -8.162 -8.355 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.675 -7.812 -7.979 -8.162 -8.355 -8.556 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-8.591 -8.785 -8.984 -9.189 -9.402 -9.624 -9.858 -10.109 -10.384 -10.700 -11.414 -11.620 -11.861 -12.149 -12.499 -12.927 -13.434 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.722 -7.880 -8.048 -8.225 -8.407 -8.595 -8.788 -8.985 -9.189 -9.399 -9.618 -9.848 -10.093 -10.358 -10.658 -11.328 -11.508 -11.711 -11.943 -12.212 -12.528 -12.897 -13.319 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.727 -7.887 -8.055 -8.231 -8.413 -8.600 -8.791 -8.987 -9.189 -9.397 -9.613 -9.839 -10.078 -10.335 -10.621 -11.258 -11.421 -11.599 -11.798 -12.022 -12.276 -12.564 -12.891 -13.256 -13.653 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.733 -7.894 -8.062 -8.238 -8.418 -8.604 -8.794 -8.989 -9.188 -9.394 -9.608 -9.830 -10.064 -10.314 -10.588 -11.199 -11.349 -11.511 -11.688 -11.882 -12.097 -12.337 -12.604 -12.900 -13.222 -13.568 -13.930 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.739 -7.901 -8.070 -8.244 -8.424 -8.609 -8.797 -8.990 -9.188 -9.392 -9.603 -9.822 -10.052 -10.295 -10.559 -11.148 -11.288 -11.437 -11.598 -11.773 -11.962 -12.170 -12.398 -12.646 -12.916 -13.206 -13.513 -13.833 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.745 -7.909 -8.077 -8.251 -8.430 -8.613 -8.801 -8.992 -9.189 -9.391 -9.599 -9.815 -10.041 -10.278 -10.534 -11.103 -11.235 -11.375 -11.524 -11.683 -11.855 -12.040 -12.240 -12.456 -12.689 -12.938 -13.202 -13.479 -13.764 -14.055 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.751 -7.916 -8.084 -8.257 -8.436 -8.618 -8.804 -8.994 -9.189 -9.389 -9.595 -9.808 -10.030 -10.263 -10.511 -11.063 -11.189 -11.321 -11.460 -11.608 -11.766 -11.934 -12.114 -12.306 -12.512 -12.731 -12.963 -13.206 -13.458 -13.716 -13.978 99999.999 99999.999 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-11.271 -11.390 -11.515 -11.644 -11.780 -11.921 -12.068 -12.221 -12.380 -12.546 -12.717 -12.894 -13.075 -13.259 -13.445 -13.633 -13.820 -14.006 -7.855 -8.032 -8.196 -8.359 -8.525 -8.693 -8.864 -9.037 -9.212 -9.390 -9.570 -9.754 -9.942 -10.134 -10.330 -10.741 -10.827 -10.914 -11.002 -11.092 -11.184 -11.277 -11.372 -11.469 -11.568 -11.668 -11.771 -11.875 -11.981 -12.089 -12.198 -12.309 -12.421 -12.535 -12.650 -12.765 -7.944 -8.125 -8.284 -8.440 -8.596 -8.755 -8.916 -9.078 -9.242 -9.407 -9.574 -9.744 -9.915 -10.089 -10.265 -10.627 -10.701 -10.776 -10.851 -10.928 -11.005 -11.082 -11.161 -11.240 -11.321 -11.402 -11.484 -11.566 -11.650 -11.734 -11.820 -11.906 -11.992 -12.080 -12.167 -12.256 -8.043 -8.224 -8.377 -8.525 -8.673 -8.822 -8.973 -9.126 -9.279 -9.434 -9.590 -9.747 -9.906 -10.065 -10.227 -10.554 -10.621 -10.687 -10.754 -10.822 -10.890 -10.958 -11.027 -11.096 -11.166 -11.236 -11.307 -11.378 -11.450 -11.522 -11.594 -11.667 -11.740 -11.814 -11.888 -11.962 -8.150 -8.330 -8.476 -8.615 -8.754 -8.894 -9.036 -9.179 -9.324 -9.469 -9.615 -9.761 -9.909 -10.057 -10.206 -10.507 -10.567 -10.628 -10.689 -10.751 -10.812 -10.874 -10.936 -10.998 -11.061 -11.124 -11.187 -11.250 -11.314 -11.378 -11.442 -11.506 -11.571 -11.636 -11.701 -11.767 -8.263 -8.440 -8.578 -8.708 -8.838 -8.970 -9.103 -9.237 -9.373 -9.509 -9.646 -9.783 -9.921 -10.059 -10.198 -10.477 -10.533 -10.589 -10.646 -10.702 -10.759 -10.815 -10.872 -10.929 -10.986 -11.044 -11.101 -11.159 -11.217 -11.275 -11.333 -11.392 -11.450 -11.509 -11.568 -11.627 -8.382 -8.555 -8.684 -8.805 -8.926 -9.049 -9.173 -9.299 -9.427 -9.555 -9.683 -9.812 -9.941 -10.071 -10.200 -10.460 -10.513 -10.565 -10.617 -10.670 -10.722 -10.775 -10.827 -10.880 -10.933 -10.986 -11.039 -11.093 -11.146 -11.200 -11.253 -11.307 -11.361 -11.415 -11.470 -11.524 -8.506 -8.673 -8.794 -8.905 -9.017 -9.131 -9.247 -9.365 -9.484 -9.604 -9.725 -9.846 -9.967 -10.089 -10.210 -10.454 -10.503 -10.552 -10.601 -10.650 -10.699 -10.748 -10.797 -10.846 -10.896 -10.945 -10.995 -11.044 -11.094 -11.144 -11.194 -11.244 -11.295 -11.345 -11.396 -11.446 99999.999 -8.794 -8.906 -9.008 -9.110 -9.215 -9.323 -9.433 -9.544 -9.657 -9.770 -9.884 -9.998 -10.113 -10.227 -10.456 -10.502 -10.548 -10.594 -10.640 -10.686 -10.732 -10.778 -10.824 -10.871 -10.917 -10.963 -11.010 -11.057 -11.104 -11.150 -11.198 -11.245 -11.292 -11.340 -11.387 CH4,gas CH4 Ssln ID, Coef: 6 1.000 GAS P-T:All Wt.(g/mol) = 16.040 Ref: H&P2011 4 -1.000 4 1.000 5 1.000 6 1.000 2 B,C -537.77898 1.54946477 -.0009278265 1.2086061 -.003708136 .3338035E-05 3.139 2.976 2.899 2.872 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.139 2.976 2.899 2.872 2.879 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.138 2.975 2.898 2.871 2.878 2.908 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.136 2.973 2.896 2.869 2.876 2.907 2.955 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.132 2.969 2.893 2.866 2.873 2.904 2.952 3.013 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.126 2.964 2.887 2.861 2.869 2.900 2.948 3.009 3.080 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.116 2.955 2.879 2.854 2.862 2.893 2.941 3.003 3.074 3.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.103 2.943 2.868 2.843 2.852 2.883 2.932 2.994 3.066 3.146 3.234 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.084 2.926 2.852 2.829 2.838 2.870 2.919 2.982 3.054 3.134 3.223 3.319 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.060 2.903 2.831 2.809 2.819 2.852 2.903 2.965 3.038 3.119 3.207 3.303 3.407 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.027 2.873 2.804 2.783 2.795 2.829 2.881 2.944 3.017 3.099 3.187 3.283 3.386 3.495 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.985 2.835 2.768 2.750 2.764 2.800 2.852 2.917 2.991 3.073 3.161 3.256 3.358 3.468 3.579 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.953 2.805 2.741 2.724 2.739 2.777 2.830 2.896 2.970 3.052 3.141 3.236 3.338 3.446 3.564 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.906 2.763 2.701 2.687 2.705 2.744 2.799 2.865 2.941 3.024 3.113 3.207 3.308 3.415 3.534 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.860 2.720 2.662 2.650 2.670 2.711 2.767 2.835 2.912 2.995 3.084 3.179 3.279 3.384 3.501 3.366 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.813 2.678 2.623 2.614 2.636 2.678 2.736 2.805 2.883 2.967 3.056 3.151 3.250 3.354 3.468 3.522 3.477 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.767 2.636 2.583 2.577 2.601 2.646 2.705 2.775 2.854 2.939 3.029 3.123 3.221 3.324 3.435 3.541 3.545 3.529 3.498 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.721 2.593 2.544 2.541 2.567 2.613 2.674 2.746 2.825 2.911 3.001 3.096 3.193 3.295 3.403 3.535 3.554 3.565 3.564 3.556 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.674 2.551 2.506 2.505 2.533 2.581 2.643 2.716 2.797 2.883 2.974 3.068 3.166 3.266 3.372 3.520 3.547 3.569 3.584 3.593 3.597 3.602 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.628 2.509 2.467 2.469 2.499 2.549 2.613 2.687 2.768 2.855 2.947 3.042 3.139 3.238 3.342 3.502 3.532 3.560 3.583 3.602 3.617 3.629 3.641 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.582 2.467 2.428 2.433 2.465 2.517 2.582 2.657 2.740 2.828 2.920 3.015 3.112 3.211 3.313 3.482 3.514 3.545 3.573 3.598 3.620 3.639 3.656 3.673 3.692 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.536 2.426 2.390 2.397 2.432 2.485 2.552 2.628 2.712 2.801 2.893 2.988 3.086 3.184 3.284 3.460 3.494 3.527 3.558 3.587 3.613 3.638 3.660 3.680 3.700 3.722 3.745 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.490 2.384 2.351 2.361 2.398 2.453 2.522 2.599 2.684 2.773 2.867 2.962 3.060 3.158 3.257 3.438 3.473 3.507 3.540 3.571 3.601 3.629 3.655 3.679 3.702 3.725 3.748 3.771 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.444 2.342 2.313 2.325 2.364 2.422 2.491 2.570 2.656 2.746 2.840 2.936 3.034 3.132 3.231 3.416 3.451 3.487 3.521 3.554 3.585 3.615 3.644 3.671 3.697 3.722 3.746 3.771 3.795 3.820 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.398 2.301 2.275 2.290 2.331 2.390 2.461 2.542 2.628 2.719 2.814 2.911 3.008 3.107 3.205 3.393 3.429 3.465 3.500 3.534 3.567 3.599 3.630 3.659 3.688 3.715 3.741 3.766 3.792 3.817 3.842 99999.999 99999.999 99999.999 99999.999 99999.999 2.352 2.259 2.237 2.254 2.298 2.359 2.431 2.513 2.601 2.693 2.788 2.885 2.983 3.082 3.180 3.370 3.407 3.443 3.479 3.514 3.548 3.581 3.614 3.645 3.675 3.704 3.732 3.759 3.785 3.811 3.837 3.862 3.887 99999.999 99999.999 99999.999 2.306 2.218 2.199 2.219 2.265 2.327 2.402 2.484 2.573 2.666 2.762 2.860 2.958 3.057 3.155 3.347 3.384 3.421 3.457 3.493 3.528 3.562 3.596 3.628 3.659 3.690 3.719 3.748 3.776 3.803 3.830 3.855 3.881 3.906 99999.999 99999.999 2.261 2.177 2.161 2.184 2.232 2.296 2.372 2.456 2.546 2.640 2.736 2.834 2.934 3.033 3.131 3.324 3.362 3.399 3.436 3.472 3.507 3.542 3.576 3.610 3.642 3.674 3.705 3.735 3.764 3.792 3.820 3.847 3.873 3.898 3.923 3.947 2.215 2.136 2.123 2.149 2.199 2.265 2.342 2.428 2.518 2.613 2.711 2.809 2.909 3.009 3.108 3.301 3.339 3.377 3.414 3.450 3.486 3.522 3.557 3.591 3.624 3.657 3.689 3.720 3.750 3.780 3.808 3.836 3.863 3.890 3.915 3.940 1.761 1.728 1.749 1.802 1.874 1.958 2.051 2.149 2.251 2.355 2.460 2.565 2.670 2.774 2.877 3.079 3.118 3.157 3.196 3.234 3.273 3.310 3.348 3.385 3.422 3.459 3.495 3.530 3.566 3.601 3.635 3.669 3.703 3.736 3.769 3.801 1.311 1.326 1.382 1.462 1.556 1.659 1.768 1.879 1.992 2.106 2.219 2.331 2.442 2.551 2.658 2.867 2.907 2.948 2.987 3.027 3.066 3.105 3.144 3.182 3.220 3.257 3.295 3.332 3.368 3.404 3.440 3.476 3.511 3.546 3.581 3.615 0.864 0.930 1.021 1.128 1.245 1.366 1.491 1.616 1.740 1.863 1.985 2.104 2.221 2.336 2.448 2.664 2.706 2.747 2.789 2.829 2.869 2.909 2.949 2.988 3.027 3.065 3.103 3.141 3.178 3.215 3.252 3.288 3.324 3.360 3.395 3.430 0.421 0.539 0.666 0.800 0.939 1.079 1.219 1.357 1.493 1.627 1.757 1.884 2.007 2.128 2.245 2.469 2.512 2.555 2.597 2.639 2.681 2.722 2.762 2.802 2.842 2.881 2.920 2.958 2.996 3.034 3.071 3.108 3.145 3.181 3.217 3.253 -0.020 0.151 0.314 0.476 0.637 0.796 0.951 1.103 1.251 1.395 1.534 1.668 1.799 1.925 2.047 2.280 2.325 2.369 2.413 2.456 2.499 2.541 2.582 2.623 2.664 2.704 2.744 2.783 2.822 2.860 2.898 2.936 2.973 3.010 3.047 3.083 -0.459 -0.233 -0.034 0.156 0.339 0.517 0.688 0.853 1.013 1.167 1.315 1.457 1.594 1.727 1.854 2.096 2.143 2.188 2.234 2.278 2.322 2.365 2.408 2.450 2.492 2.533 2.574 2.614 2.654 2.693 2.732 2.771 2.809 2.846 2.883 2.920 -0.896 -0.614 -0.379 -0.161 0.045 0.241 0.428 0.607 0.778 0.942 1.099 1.250 1.394 1.533 1.666 1.917 1.965 2.012 2.059 2.105 2.150 2.195 2.239 2.283 2.325 2.368 2.410 2.451 2.491 2.532 2.571 2.611 2.649 2.688 2.726 2.763 99999.999 -0.993 -0.720 -0.475 -0.247 -0.032 0.171 0.363 0.546 0.721 0.887 1.045 1.197 1.342 1.481 1.741 1.791 1.840 1.888 1.936 1.983 2.029 2.074 2.119 2.163 2.206 2.249 2.292 2.333 2.375 2.415 2.455 2.495 2.534 2.573 2.611 CH4,gas CH4 Ssln ID, Coef: 6 1.000 GAS P-T:All Wt.(g/mol) = 16.040 Ref: H&P2011 4 1.000 5 -2.000 31 1.000 2 1.000 1 B,C -537.77898 1.54946477 -.0009278265 1.2086061 -.003708136 .3338035E-05 155.238 141.293 129.338 118.986 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 155.238 141.293 129.338 118.986 109.928 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 155.238 141.294 129.339 118.986 109.928 101.926 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 155.239 141.294 129.339 118.987 109.929 101.927 94.796 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 155.240 141.296 129.341 118.989 109.930 101.929 94.797 88.390 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 155.242 141.298 129.343 118.991 109.933 101.931 94.800 88.392 82.590 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 155.245 141.301 129.346 118.994 109.936 101.934 94.804 88.396 82.595 77.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 155.250 141.306 129.351 118.999 109.941 101.939 94.809 88.402 82.601 77.307 72.431 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 155.256 141.312 129.357 119.005 109.947 101.946 94.816 88.410 82.611 77.318 72.446 67.911 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 155.264 141.321 129.366 119.014 109.956 101.955 94.826 88.421 82.623 77.333 72.465 67.939 63.660 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 155.274 141.332 129.377 119.025 109.968 101.967 94.838 88.435 82.638 77.351 72.489 67.973 63.716 59.578 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 155.288 141.346 129.391 119.039 109.982 101.982 94.854 88.452 82.658 77.375 72.519 68.014 63.780 59.706 55.447 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 155.298 141.357 129.402 119.050 109.993 101.993 94.866 88.465 82.673 77.392 72.541 68.044 63.826 59.789 55.704 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 155.312 141.372 129.418 119.066 110.009 102.010 94.883 88.484 82.694 77.417 72.572 68.085 63.886 59.891 55.942 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 155.327 141.387 129.433 119.081 110.024 102.025 94.900 88.502 82.714 77.441 72.601 68.123 63.941 59.978 56.116 46.041 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 155.341 141.402 129.448 119.096 110.039 102.041 94.916 88.520 82.734 77.464 72.629 68.159 63.991 60.055 56.255 48.341 45.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 155.355 141.417 129.463 119.111 110.054 102.056 94.932 88.537 82.753 77.486 72.655 68.194 64.038 60.124 56.371 48.987 47.257 45.256 42.863 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 155.370 141.432 129.478 119.125 110.069 102.071 94.948 88.554 82.772 77.507 72.681 68.226 64.081 60.187 56.471 49.342 47.814 46.181 44.383 42.371 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 155.383 141.446 129.492 119.140 110.084 102.086 94.964 88.570 82.790 77.528 72.706 68.257 64.121 60.244 56.558 49.584 48.154 46.677 45.124 43.464 41.675 39.765 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 155.397 141.460 129.506 119.154 110.098 102.101 94.979 88.587 82.808 77.548 72.730 68.286 64.159 60.296 56.636 49.767 48.395 47.002 45.572 44.088 42.532 40.896 39.183 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 155.411 141.475 129.520 119.168 110.112 102.115 94.994 88.603 82.825 77.568 72.753 68.314 64.195 60.344 56.706 49.915 48.581 47.240 45.884 44.499 43.076 41.605 40.082 38.511 36.907 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 155.424 141.489 129.534 119.182 110.126 102.129 95.009 88.618 82.842 77.587 72.775 68.341 64.229 60.388 56.768 50.038 48.732 47.427 46.118 44.797 43.457 42.089 40.689 39.256 37.794 36.312 34.825 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 155.438 141.502 129.548 119.196 110.140 102.143 95.023 88.633 82.859 77.606 72.796 68.366 64.260 60.429 56.825 50.144 48.858 47.580 46.305 45.028 43.742 42.443 41.126 39.788 38.430 37.055 35.670 34.285 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 155.451 141.516 129.562 119.209 110.153 102.157 95.037 88.648 82.875 77.624 72.817 68.391 64.291 60.468 56.877 50.237 48.968 47.710 46.460 45.214 43.968 42.717 41.458 40.187 38.905 37.610 36.308 35.003 33.702 32.412 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 155.464 141.530 129.575 119.222 110.166 102.171 95.051 88.663 82.891 77.641 72.837 68.415 64.319 60.504 56.924 50.320 49.064 47.822 46.592 45.370 44.153 42.937 41.720 40.499 39.272 38.039 36.801 35.561 34.323 33.093 31.875 99999.999 99999.999 99999.999 99999.999 99999.999 155.477 141.543 129.588 119.236 110.179 102.184 95.065 88.678 82.907 77.659 72.857 68.438 64.347 60.538 56.968 50.395 49.150 47.921 46.706 45.503 44.309 43.120 41.935 40.751 39.566 38.380 37.192 36.005 34.819 33.639 32.469 31.313 30.174 99999.999 99999.999 99999.999 155.490 141.556 129.602 119.249 110.192 102.197 95.078 88.692 82.922 77.676 72.876 68.460 64.373 60.570 57.009 50.464 49.227 48.009 46.807 45.619 44.443 43.276 42.116 40.960 39.808 38.658 37.510 36.364 35.222 34.085 32.957 31.839 30.736 29.651 99999.999 99999.999 155.503 141.569 129.615 119.261 110.205 102.210 95.092 88.706 82.937 77.692 72.895 68.481 64.398 60.600 57.046 50.526 49.297 48.089 46.898 45.723 44.561 43.411 42.270 41.138 40.012 38.890 37.774 36.662 35.555 34.454 33.361 32.278 31.207 30.152 29.113 28.094 155.516 141.582 129.627 119.274 110.218 102.223 95.105 88.720 82.952 77.708 72.913 68.502 64.423 60.629 57.082 50.584 49.362 48.161 46.980 45.815 44.666 43.530 42.406 41.291 40.186 39.088 37.997 36.912 35.834 34.763 33.701 32.648 31.606 30.577 29.564 28.568 155.638 141.706 129.749 119.394 110.337 102.342 95.227 88.847 83.087 77.854 73.074 68.683 64.629 60.870 57.367 51.007 49.824 48.666 47.534 46.424 45.336 44.270 43.223 42.194 41.184 40.190 39.213 38.251 37.303 36.370 35.450 34.544 33.650 32.770 31.901 31.045 155.752 141.820 129.861 119.503 110.444 102.449 95.335 88.958 83.203 77.978 73.207 68.829 64.792 61.053 57.575 51.284 50.118 48.979 47.867 46.779 45.716 44.675 43.656 42.657 41.679 40.720 39.778 38.855 37.948 37.058 36.183 35.323 34.478 33.647 32.829 32.025 155.860 141.927 129.964 119.603 110.542 102.546 95.433 89.057 83.306 78.086 73.322 68.953 64.927 61.201 57.740 51.490 50.334 49.207 48.106 47.031 45.980 44.953 43.949 42.966 42.004 41.061 40.138 39.234 38.346 37.476 36.623 35.785 34.962 34.155 33.361 32.582 155.963 142.027 130.060 119.696 110.633 102.636 95.522 89.148 83.398 78.182 73.423 69.060 65.042 61.326 57.876 51.655 50.506 49.386 48.292 47.225 46.183 45.165 44.169 43.196 42.244 41.312 40.400 39.506 38.630 37.772 36.931 36.106 35.297 34.502 33.722 32.957 156.062 142.123 130.152 119.784 110.718 102.719 95.605 89.231 83.483 78.269 73.514 69.156 65.144 61.435 57.994 51.793 50.649 49.534 48.446 47.384 46.347 45.335 44.346 43.379 42.433 41.509 40.603 39.717 38.849 37.999 37.166 36.349 35.548 34.762 33.991 33.234 156.159 142.215 130.239 119.867 110.798 102.798 95.682 89.308 83.561 78.349 73.597 69.242 65.235 61.532 58.096 51.912 50.771 49.660 48.575 47.518 46.485 45.477 44.493 43.531 42.590 41.670 40.770 39.889 39.027 38.182 37.354 36.543 35.748 34.968 34.203 33.452 156.254 142.305 130.322 119.946 110.875 102.872 95.756 89.381 83.634 78.423 73.673 69.321 65.317 61.618 58.188 52.016 50.878 49.769 48.688 47.633 46.604 45.600 44.619 43.660 42.723 41.807 40.910 40.033 39.175 38.334 37.511 36.704 35.913 35.137 34.377 33.630 99999.999 142.392 130.403 120.022 110.948 102.943 95.825 89.450 83.703 78.493 73.744 69.394 65.393 61.697 58.271 52.109 50.973 49.866 48.788 47.735 46.709 45.707 44.728 43.772 42.838 41.925 41.031 40.157 39.302 38.464 37.644 36.840 36.052 35.280 34.523 33.780 CH4,gas! CH4 Ssln ID, Coef: 6 1.000 GAS P-T:All Wt.(g/mol) = 16.040 Ref: H&P2011 1 1.000 45 B,C -537.77898 1.54946477 -.0009278265 1.2086061 -.003708136 .3338035E-05 -2.668 -2.917 -3.057 -3.123 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.668 -2.917 -3.057 -3.123 -3.137 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.668 -2.918 -3.058 -3.124 -3.138 -3.113 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-3.148 -3.081 -3.013 -2.947 -2.880 H2,gas H2 Ssln ID, Coef: 6 1.000 GAS P-T:All Wt.(g/mol) = 2.020 Ref: H&P2011 4 1.000 2 0.250 6 -0.250 4 -0.250 1 B,C -12.590828 0.25978882 -7.2473E-05 .00471947 -2.69962E-05 2.15622E-08 9.444 8.421 7.588 6.896 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.444 8.421 7.588 6.896 6.315 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.443 8.421 7.587 6.896 6.315 5.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.410 8.392 7.561 6.871 6.291 5.800 5.381 5.023 4.717 4.456 4.236 4.055 3.916 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.397 8.380 7.550 6.860 6.281 5.790 5.372 5.014 4.707 4.446 4.225 4.042 3.899 3.805 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.380 8.365 7.536 6.847 6.268 5.778 5.360 5.002 4.695 4.433 4.211 4.026 3.879 3.777 3.752 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.366 8.353 7.525 6.837 6.259 5.768 5.350 4.992 4.685 4.423 4.200 4.014 3.865 3.757 3.713 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.347 8.336 7.509 6.822 6.245 5.755 5.337 4.979 4.672 4.409 4.185 3.997 3.844 3.730 3.669 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.328 8.319 7.494 6.808 6.231 5.741 5.324 4.966 4.658 4.395 4.170 3.981 3.825 3.705 3.632 3.747 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.309 8.302 7.478 6.793 6.217 5.728 5.310 4.953 4.645 4.381 4.155 3.964 3.806 3.682 3.599 3.525 3.604 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.290 8.286 7.463 6.779 6.203 5.714 5.297 4.940 4.632 4.368 4.141 3.949 3.788 3.660 3.569 3.452 3.472 3.524 3.627 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.272 8.269 7.448 6.764 6.189 5.701 5.284 4.927 4.619 4.354 4.127 3.934 3.771 3.639 3.541 3.404 3.405 3.422 3.461 3.530 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.253 8.252 7.432 6.750 6.176 5.688 5.271 4.914 4.606 4.341 4.113 3.919 3.755 3.620 3.516 3.366 3.358 3.360 3.375 3.406 3.457 3.530 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.234 8.236 7.417 6.736 6.162 5.675 5.259 4.901 4.593 4.328 4.100 3.904 3.738 3.601 3.493 3.334 3.320 3.314 3.317 3.329 3.355 3.395 3.450 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.216 8.219 7.402 6.721 6.148 5.662 5.246 4.889 4.581 4.315 4.086 3.890 3.723 3.583 3.471 3.305 3.288 3.276 3.271 3.274 3.285 3.307 3.339 3.382 3.436 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.197 8.203 7.387 6.707 6.135 5.649 5.233 4.876 4.568 4.302 4.073 3.876 3.708 3.566 3.450 3.279 3.259 3.244 3.234 3.230 3.232 3.243 3.261 3.287 3.322 3.365 3.414 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.179 8.187 7.372 6.693 6.122 5.636 5.221 4.864 4.556 4.290 4.060 3.862 3.693 3.549 3.431 3.256 3.233 3.215 3.201 3.193 3.189 3.192 3.201 3.217 3.239 3.268 3.303 3.342 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.161 8.171 7.357 6.679 6.108 5.623 5.208 4.851 4.543 4.277 4.047 3.849 3.678 3.534 3.413 3.233 3.209 3.188 3.172 3.160 3.152 3.150 3.152 3.160 3.174 3.193 3.217 3.246 3.278 3.314 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.142 8.154 7.342 6.665 6.095 5.610 5.196 4.839 4.531 4.265 4.034 3.836 3.664 3.518 3.396 3.212 3.186 3.164 3.145 3.131 3.120 3.113 3.111 3.114 3.121 3.133 3.149 3.169 3.193 3.220 3.249 99999.999 99999.999 99999.999 99999.999 99999.999 9.124 8.138 7.327 6.652 6.082 5.598 5.183 4.827 4.519 4.252 4.022 3.823 3.651 3.504 3.379 3.192 3.165 3.141 3.121 3.104 3.090 3.081 3.075 3.073 3.076 3.082 3.092 3.106 3.124 3.144 3.166 3.190 3.216 99999.999 99999.999 99999.999 9.106 8.122 7.313 6.638 6.069 5.585 5.171 4.815 4.507 4.240 4.009 3.810 3.637 3.489 3.363 3.173 3.145 3.120 3.097 3.079 3.063 3.051 3.043 3.038 3.037 3.039 3.044 3.053 3.065 3.080 3.097 3.116 3.136 3.157 99999.999 99999.999 9.088 8.106 7.298 6.624 6.056 5.572 5.159 4.802 4.495 4.228 3.997 3.797 3.624 3.475 3.348 3.155 3.125 3.099 3.076 3.055 3.038 3.024 3.014 3.006 3.002 3.000 3.002 3.007 3.015 3.025 3.038 3.052 3.068 3.085 3.103 3.121 9.070 8.090 7.283 6.610 6.043 5.560 5.146 4.790 4.483 4.216 3.985 3.784 3.611 3.461 3.334 3.137 3.107 3.079 3.055 3.033 3.015 2.999 2.986 2.977 2.970 2.966 2.965 2.967 2.971 2.978 2.987 2.997 3.010 3.023 3.037 3.052 8.894 7.934 7.140 6.476 5.915 5.438 5.028 4.674 4.368 4.101 3.869 3.666 3.489 3.335 3.200 2.984 2.949 2.915 2.884 2.856 2.829 2.804 2.782 2.761 2.743 2.726 2.711 2.698 2.686 2.676 2.668 2.661 2.656 2.651 2.648 2.646 8.724 7.783 7.001 6.346 5.792 5.320 4.914 4.563 4.258 3.993 3.760 3.557 3.378 3.221 3.083 2.858 2.819 2.783 2.749 2.717 2.687 2.659 2.633 2.608 2.585 2.563 2.543 2.525 2.508 2.492 2.478 2.464 2.453 2.442 2.432 2.424 8.558 7.636 6.866 6.220 5.673 5.206 4.804 4.456 4.154 3.889 3.658 3.454 3.275 3.117 2.977 2.746 2.706 2.668 2.633 2.599 2.567 2.536 2.508 2.481 2.455 2.431 2.408 2.387 2.367 2.349 2.331 2.315 2.300 2.286 2.273 2.261 8.395 7.492 6.734 6.097 5.557 5.095 4.698 4.353 4.053 3.791 3.560 3.357 3.177 3.019 2.878 2.643 2.603 2.564 2.528 2.493 2.459 2.428 2.398 2.369 2.342 2.317 2.292 2.269 2.248 2.227 2.208 2.190 2.173 2.156 2.141 2.127 8.236 7.351 6.606 5.977 5.444 4.987 4.594 4.253 3.956 3.695 3.466 3.264 3.085 2.926 2.785 2.548 2.507 2.468 2.431 2.395 2.361 2.329 2.298 2.268 2.240 2.214 2.189 2.164 2.142 2.120 2.099 2.080 2.061 2.044 2.028 2.012 8.080 7.213 6.480 5.860 5.333 4.882 4.493 4.155 3.861 3.603 3.375 3.174 2.996 2.838 2.697 2.459 2.418 2.378 2.340 2.304 2.270 2.237 2.205 2.175 2.147 2.120 2.094 2.069 2.045 2.023 2.001 1.981 1.962 1.943 1.926 1.909 7.926 7.078 6.356 5.745 5.224 4.779 4.394 4.060 3.768 3.513 3.287 3.087 2.910 2.753 2.612 2.374 2.333 2.293 2.255 2.219 2.184 2.151 2.119 2.089 2.059 2.032 2.005 1.980 1.956 1.933 1.911 1.890 1.870 1.851 1.833 1.816 99999.999 6.944 6.234 5.631 5.118 4.677 4.297 3.967 3.678 3.425 3.201 3.003 2.827 2.671 2.531 2.293 2.252 2.212 2.174 2.137 2.102 2.069 2.037 2.006 1.977 1.949 1.922 1.897 1.872 1.849 1.827 1.805 1.785 1.766 1.747 1.730 H2,gas H2 Ssln ID, Coef: 6 1.000 GAS P-T:All Wt.(g/mol) = 2.020 Ref: H&P2011 2 1.000 2 -0.500 31 B,C -12.590828 0.25978882 -7.2473E-05 .00471947 -2.69962E-05 2.15622E-08 47.468 43.001 39.198 35.924 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.468 43.001 39.198 35.924 33.077 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.468 43.001 39.198 35.924 33.077 30.577 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.468 43.000 39.197 35.924 33.077 30.577 28.364 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.468 43.000 39.197 35.924 33.077 30.577 28.364 26.389 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.467 43.000 39.197 35.924 33.077 30.577 28.364 26.389 24.614 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.466 42.999 39.197 35.924 33.077 30.577 28.363 26.388 24.614 23.010 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.465 42.999 39.196 35.923 33.076 30.577 28.363 26.388 24.614 23.010 21.550 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.464 42.998 39.195 35.923 33.076 30.576 28.363 26.388 24.614 23.010 21.550 20.213 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.461 42.996 39.194 35.922 33.075 30.575 28.362 26.387 24.613 23.009 21.550 20.214 18.979 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.459 42.995 39.193 35.921 33.074 30.575 28.361 26.386 24.613 23.009 21.550 20.215 18.982 17.826 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.455 42.992 39.192 35.919 33.073 30.573 28.360 26.385 24.612 23.008 21.550 20.215 18.985 17.836 16.719 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.453 42.991 39.190 35.918 33.072 30.572 28.359 26.385 24.611 23.008 21.550 20.216 18.987 17.842 16.748 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.449 42.988 39.188 35.917 33.071 30.571 28.358 26.384 24.610 23.007 21.550 20.216 18.989 17.849 16.771 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.445 42.986 39.187 35.915 33.069 30.570 28.357 26.382 24.609 23.006 21.549 20.217 18.990 17.853 16.785 14.416 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.441 42.983 39.185 35.914 33.068 30.568 28.355 26.381 24.608 23.005 21.549 20.217 18.992 17.857 16.795 14.730 14.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.437 42.981 39.183 35.912 33.066 30.567 28.354 26.380 24.607 23.004 21.548 20.217 18.993 17.860 16.803 14.813 14.400 13.956 13.469 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.434 42.979 39.181 35.910 33.065 30.566 28.353 26.379 24.606 23.003 21.547 20.216 18.993 17.862 16.808 14.855 14.470 14.076 13.666 13.234 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.430 42.976 39.179 35.909 33.063 30.564 28.351 26.377 24.604 23.002 21.546 20.216 18.993 17.864 16.813 14.882 14.510 14.137 13.760 13.373 12.976 12.571 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.427 42.974 39.177 35.907 33.062 30.563 28.350 26.376 24.603 23.001 21.545 20.215 18.994 17.865 16.816 14.900 14.536 14.175 13.814 13.451 13.083 12.711 12.335 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.423 42.971 39.175 35.905 33.060 30.561 28.349 26.375 24.602 23.000 21.545 20.215 18.994 17.866 16.819 14.914 14.555 14.200 13.849 13.499 13.149 12.798 12.445 12.092 11.740 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.419 42.969 39.173 35.904 33.059 30.560 28.347 26.373 24.601 22.999 21.544 20.214 18.993 17.867 16.821 14.924 14.569 14.219 13.874 13.532 13.193 12.855 12.518 12.181 11.846 11.513 11.185 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.416 42.966 39.171 35.902 33.057 30.558 28.346 26.372 24.599 22.998 21.543 20.213 18.993 17.867 16.823 14.932 14.579 14.233 13.893 13.557 13.225 12.896 12.569 12.244 11.921 11.600 11.283 10.971 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.412 42.964 39.169 35.900 33.056 30.557 28.344 26.371 24.598 22.997 21.541 20.212 18.993 17.868 16.824 14.939 14.588 14.244 13.907 13.575 13.248 12.925 12.606 12.289 11.976 11.665 11.358 11.054 10.755 10.461 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.409 42.962 39.167 35.899 33.054 30.556 28.343 26.369 24.597 22.995 21.540 20.212 18.992 17.868 16.825 14.944 14.595 14.253 13.918 13.589 13.266 12.948 12.634 12.324 12.017 11.714 11.414 11.118 10.826 10.539 10.257 99999.999 99999.999 99999.999 99999.999 99999.999 47.405 42.959 39.165 35.897 33.052 30.554 28.342 26.368 24.595 22.994 21.539 20.211 18.992 17.868 16.826 14.949 14.601 14.260 13.927 13.601 13.281 12.966 12.656 12.350 12.049 11.751 11.458 11.168 10.882 10.601 10.324 10.053 9.787 99999.999 99999.999 99999.999 47.402 42.957 39.163 35.895 33.051 30.552 28.340 26.366 24.594 22.993 21.538 20.210 18.991 17.867 16.827 14.952 14.605 14.266 13.935 13.610 13.292 12.980 12.673 12.371 12.074 11.781 11.492 11.207 10.927 10.650 10.379 10.112 9.850 9.593 99999.999 99999.999 47.399 42.954 39.161 35.893 33.049 30.551 28.339 26.365 24.593 22.991 21.537 20.209 18.990 17.867 16.827 14.955 14.609 14.271 13.941 13.618 13.302 12.991 12.687 12.388 12.094 11.804 11.520 11.239 10.963 10.691 10.423 10.160 9.902 9.649 9.400 9.157 47.395 42.952 39.159 35.892 33.048 30.549 28.337 26.364 24.591 22.990 21.536 20.208 18.989 17.867 16.827 14.958 14.613 14.276 13.946 13.625 13.310 13.001 12.699 12.402 12.110 11.824 11.542 11.265 10.992 10.724 10.460 10.200 9.945 9.695 9.450 9.209 47.363 42.929 39.140 35.874 33.031 30.534 28.322 26.348 24.576 22.976 21.522 20.195 18.979 17.858 16.823 14.967 14.625 14.293 13.969 13.653 13.345 13.044 12.751 12.464 12.183 11.909 11.641 11.378 11.121 10.869 10.622 10.380 10.143 9.910 9.682 9.458 47.334 42.906 39.121 35.856 33.014 30.517 28.306 26.333 24.561 22.961 21.507 20.181 18.965 17.847 16.813 14.962 14.622 14.291 13.969 13.655 13.350 13.051 12.760 12.477 12.199 11.929 11.664 11.405 11.153 10.905 10.663 10.426 10.194 9.967 9.745 9.526 47.307 42.885 39.102 35.839 32.997 30.501 28.290 26.317 24.545 22.945 21.492 20.166 18.951 17.833 16.800 14.952 14.613 14.283 13.962 13.649 13.344 13.047 12.758 12.475 12.199 11.930 11.667 11.410 11.159 10.914 10.674 10.439 10.209 9.984 9.764 9.549 47.281 42.864 39.083 35.821 32.981 30.484 28.273 26.301 24.529 22.929 21.477 20.151 18.936 17.818 16.786 14.940 14.601 14.272 13.951 13.639 13.335 13.038 12.750 12.468 12.193 11.924 11.662 11.406 11.156 10.912 10.673 10.439 10.210 9.987 9.768 9.553 47.257 42.844 39.065 35.804 32.964 30.468 28.257 26.285 24.514 22.914 21.461 20.136 18.921 17.804 16.772 14.927 14.588 14.259 13.939 13.627 13.323 13.027 12.739 12.457 12.183 11.915 11.653 11.398 11.148 10.905 10.666 10.433 10.205 9.982 9.764 9.550 47.235 42.825 39.048 35.788 32.948 30.452 28.241 26.269 24.498 22.898 21.446 20.120 18.906 17.789 16.757 14.913 14.575 14.246 13.926 13.614 13.311 13.015 12.727 12.445 12.171 11.904 11.642 11.387 11.138 10.895 10.657 10.424 10.196 9.974 9.756 9.543 47.213 42.808 39.031 35.771 32.932 30.437 28.226 26.254 24.483 22.883 21.430 20.105 18.891 17.774 16.743 14.899 14.561 14.232 13.912 13.601 13.297 13.002 12.714 12.433 12.159 11.891 11.630 11.376 11.127 10.883 10.646 10.413 10.186 9.964 9.746 9.533 99999.999 42.791 39.015 35.756 32.916 30.421 28.211 26.239 24.467 22.868 21.415 20.090 18.876 17.759 16.728 14.885 14.547 14.218 13.899 13.587 13.284 12.989 12.701 12.420 12.146 11.879 11.618 11.363 11.114 10.871 10.634 10.402 10.174 9.952 9.735 9.522 H2,gas! H2 Ssln ID, Coef: 6 1.000 GAS P-T:All Wt.(g/mol) = 2.020 Ref: H&P2011 1 1.000 46 B,C -12.590828 0.25978882 -7.2473E-05 .00471947 -2.69962E-05 2.15622E-08 -3.010 -3.106 -3.139 -3.133 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.010 -3.106 -3.139 -3.133 -3.099 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.011 -3.107 -3.140 -3.133 -3.099 -3.046 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-2.241 -2.195 -2.149 H2S,gas H2S Ssln ID, Coef: 6 1.000 GAS P-T:All Wt.(g/mol) = 34.080 Ref: H&P2011 2 1.000 1 1.000 6 B,C -908.611253 1.00082777 -.52399E-04 2.449043 -.610668E-02 .487245E-05 -7.996 -7.901 -7.867 -7.875 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.996 -7.901 -7.867 -7.875 -7.916 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.996 -7.901 -7.867 -7.876 -7.916 -7.984 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-8.203 -8.288 -8.390 -8.510 -8.647 -8.800 -8.972 -9.165 -9.387 -9.858 -9.977 -10.107 -10.247 -10.401 -10.571 -10.759 -10.970 -11.205 -11.464 -11.747 -12.048 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.245 -8.151 -8.101 -8.089 -8.107 -8.149 -8.213 -8.296 -8.397 -8.514 -8.647 -8.797 -8.964 -9.149 -9.359 -9.818 -9.930 -10.050 -10.179 -10.318 -10.469 -10.634 -10.815 -11.013 -11.229 -11.463 -11.714 -11.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.263 -8.169 -8.118 -8.105 -8.121 -8.162 -8.224 -8.305 -8.403 -8.518 -8.649 -8.795 -8.957 -9.135 -9.335 -9.782 -9.888 -10.001 -10.121 -10.249 -10.387 -10.535 -10.695 -10.868 -11.055 -11.256 -11.470 -11.695 -11.930 -12.170 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.282 -8.187 -8.135 -8.120 -8.135 -8.174 -8.234 -8.314 -8.410 -8.522 -8.650 -8.793 -8.950 -9.124 -9.316 -9.750 -9.851 -9.958 -10.071 -10.190 -10.318 -10.453 -10.599 -10.754 -10.920 -11.097 -11.284 -11.481 -11.686 -11.897 -12.112 99999.999 99999.999 99999.999 99999.999 99999.999 -8.301 -8.205 -8.152 -8.136 -8.149 -8.187 -8.245 -8.322 -8.417 -8.527 -8.652 -8.791 -8.945 -9.114 -9.299 -9.721 -9.818 -9.920 -10.026 -10.139 -10.258 -10.384 -10.518 -10.660 -10.810 -10.969 -11.137 -11.312 -11.495 -11.683 -11.875 -12.069 -12.262 99999.999 99999.999 99999.999 -8.320 -8.224 -8.170 -8.151 -8.163 -8.199 -8.256 -8.331 -8.424 -8.531 -8.654 -8.791 -8.941 -9.105 -9.285 -9.695 -9.788 -9.885 -9.987 -10.094 -10.206 -10.324 -10.449 -10.580 -10.718 -10.864 -11.016 -11.175 -11.341 -11.511 -11.685 -11.861 -12.038 -12.213 99999.999 99999.999 -8.339 -8.242 -8.187 -8.167 -8.177 -8.212 -8.267 -8.340 -8.431 -8.536 -8.656 -8.790 -8.938 -9.098 -9.273 -9.672 -9.761 -9.854 -9.951 -10.053 -10.160 -10.271 -10.388 -10.511 -10.640 -10.775 -10.915 -11.061 -11.213 -11.369 -11.528 -11.690 -11.853 -12.015 -12.175 -12.332 -8.358 -8.260 -8.204 -8.183 -8.191 -8.224 -8.278 -8.350 -8.438 -8.541 -8.659 -8.790 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-8.824 -8.774 -8.750 -8.748 -8.763 -8.793 -8.835 -8.888 -8.951 -9.022 -9.101 -9.186 -9.374 -9.414 -9.455 -9.497 -9.540 -9.583 -9.627 -9.672 -9.718 -9.764 -9.811 -9.859 -9.908 -9.957 -10.007 -10.058 -10.109 -10.161 -10.214 -10.267 -10.321 -9.390 -9.219 -9.085 -8.988 -8.924 -8.887 -8.872 -8.875 -8.893 -8.924 -8.966 -9.017 -9.076 -9.142 -9.215 -9.378 -9.413 -9.449 -9.485 -9.522 -9.560 -9.598 -9.638 -9.678 -9.718 -9.759 -9.801 -9.844 -9.887 -9.931 -9.975 -10.020 -10.066 -10.112 -10.159 -10.206 -9.608 -9.417 -9.265 -9.153 -9.074 -9.024 -8.997 -8.989 -8.996 -9.016 -9.047 -9.088 -9.136 -9.192 -9.254 -9.394 -9.425 -9.456 -9.488 -9.520 -9.553 -9.587 -9.622 -9.657 -9.693 -9.729 -9.766 -9.804 -9.842 -9.881 -9.920 -9.960 -10.001 -10.042 -10.084 -10.126 -9.828 -9.616 -9.446 -9.318 -9.226 -9.163 -9.124 -9.105 -9.102 -9.111 -9.132 -9.163 -9.201 -9.247 -9.299 -9.420 -9.446 -9.474 -9.501 -9.530 -9.559 -9.589 -9.620 -9.651 -9.682 -9.715 -9.748 -9.781 -9.815 -9.850 -9.885 -9.921 -9.957 -9.994 -10.032 -10.070 99999.999 -9.815 -9.628 -9.484 -9.378 -9.303 -9.252 -9.222 -9.208 -9.209 -9.220 -9.241 -9.271 -9.308 -9.351 -9.453 -9.476 -9.500 -9.524 -9.549 -9.575 -9.601 -9.628 -9.656 -9.684 -9.713 -9.742 -9.772 -9.803 -9.834 -9.866 -9.898 -9.931 -9.964 -9.998 -10.033 H2S,gas H2S Ssln ID, Coef: 6 1.000 GAS P-T:All Wt.(g/mol) = 34.080 Ref: H&P2011 3 2.000 1 -2.000 31 1.000 4 B,C -908.611253 1.00082777 -.52399E-04 2.449043 -.610668E-02 .487245E-05 144.103 130.416 118.572 108.238 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.103 130.416 118.572 108.238 99.133 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.104 130.417 118.573 108.239 99.134 91.033 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.106 130.419 118.575 108.241 99.136 91.035 83.764 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.110 130.423 118.579 108.245 99.139 91.039 83.768 77.184 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.116 130.428 118.584 108.250 99.144 91.044 83.773 77.190 71.178 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.125 130.437 118.592 108.258 99.152 91.052 83.782 77.199 71.188 65.648 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.138 130.448 118.603 108.269 99.163 91.063 83.793 77.212 71.203 65.665 60.506 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.156 130.465 118.619 108.284 99.178 91.079 83.810 77.230 71.223 65.689 60.536 55.668 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.179 130.487 118.640 108.304 99.198 91.100 83.832 77.253 71.249 65.720 60.575 55.721 51.044 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.210 130.515 118.667 108.331 99.225 91.126 83.860 77.284 71.283 65.760 60.625 55.789 51.147 46.517 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.250 130.552 118.702 108.365 99.259 91.161 83.896 77.322 71.326 65.810 60.686 55.871 51.270 46.735 41.796 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.280 130.580 118.729 108.391 99.284 91.187 83.923 77.352 71.359 65.848 60.733 55.932 51.357 46.881 42.174 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.324 130.621 118.767 108.428 99.321 91.225 83.962 77.394 71.405 65.901 60.797 56.016 51.475 47.067 42.559 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99.568 91.473 84.219 77.666 71.701 66.233 61.186 56.495 52.101 47.950 43.974 36.529 35.034 33.521 31.980 30.397 28.754 27.039 25.241 23.361 21.414 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.662 130.931 119.060 108.711 99.601 91.507 84.254 77.702 71.740 66.276 61.235 56.552 52.171 48.039 44.098 36.720 35.260 33.794 32.313 30.810 29.273 27.692 26.060 24.371 22.629 20.844 19.032 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.703 130.968 119.095 108.745 99.635 91.541 84.288 77.738 71.778 66.318 61.282 56.607 52.237 48.122 44.209 36.889 35.455 34.023 32.587 31.139 29.672 28.180 26.657 25.097 23.499 21.867 20.208 18.536 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.744 131.005 119.130 108.779 99.668 91.574 84.322 77.773 71.816 66.360 61.328 56.660 52.300 48.200 44.311 37.040 35.628 34.223 32.819 31.412 29.996 28.567 27.118 25.648 24.152 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44.642 37.530 36.175 34.836 33.511 32.198 30.894 29.597 28.306 27.017 25.729 24.442 23.154 21.865 20.578 19.293 18.013 16.741 15.482 14.239 13.015 11.815 144.943 131.186 119.301 108.943 99.828 91.734 84.485 77.943 71.996 66.554 61.543 56.902 52.579 48.529 44.712 37.633 36.287 34.959 33.647 32.348 31.061 29.784 28.514 27.250 25.990 24.734 23.480 22.228 20.979 19.735 18.496 17.265 16.045 14.839 13.650 12.481 145.324 131.532 119.624 109.252 100.129 92.032 84.786 78.252 72.319 66.898 61.916 57.311 53.033 49.040 45.296 38.428 37.139 35.874 34.633 33.413 32.214 31.034 29.872 28.727 27.599 26.486 25.387 24.302 23.230 22.172 21.125 20.091 19.070 18.060 17.063 16.078 145.686 131.858 119.927 109.540 100.408 92.307 85.061 78.531 72.608 67.200 62.236 57.655 53.407 49.450 45.748 38.992 37.730 36.496 35.286 34.101 32.939 31.798 30.679 29.579 28.499 27.436 26.391 25.363 24.351 23.354 22.372 21.404 20.450 19.510 18.583 17.669 146.032 132.168 120.215 109.813 100.671 92.564 85.316 78.788 72.870 67.472 62.521 57.956 53.728 49.796 46.122 39.439 38.194 36.978 35.787 34.622 33.481 32.363 31.267 30.192 29.137 28.102 27.085 26.086 25.105 24.139 23.190 22.256 21.337 20.432 19.541 18.663 146.367 132.465 120.490 110.072 100.920 92.806 85.555 79.028 73.112 67.720 62.778 58.226 54.013 50.098 46.445 39.812 38.580 37.375 36.198 35.046 33.919 32.816 31.735 30.676 29.638 28.620 27.621 26.640 25.677 24.731 23.802 22.889 21.991 21.107 20.238 19.383 146.692 132.753 120.753 110.320 101.157 93.037 85.782 79.253 73.339 67.950 63.015 58.471 54.270 50.368 46.731 40.135 38.911 37.716 36.548 35.406 34.289 33.196 32.126 31.078 30.051 29.045 28.058 27.090 26.141 25.208 24.292 23.393 22.509 21.640 20.786 19.945 147.010 133.031 121.008 110.559 101.385 93.257 85.997 79.466 73.552 68.166 63.235 58.698 54.504 50.613 46.988 40.422 39.204 38.015 36.854 35.720 34.610 33.525 32.463 31.423 30.405 29.408 28.430 27.471 26.531 25.608 24.702 23.813 22.939 22.080 21.236 20.407 147.322 133.303 121.255 110.789 101.604 93.469 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-16.786 -16.944 -17.102 -17.260 -17.417 -17.575 -17.732 -17.890 -18.048 S2,gas S2 Ssln ID, Coef: 6 1.000 GAS P-T:All Wt.(g/mol) = 64.120 Ref: H&P2011 4 -3.000 31 4.000 1 2.000 4 -2.000 2 B,C 221.384 200.239 181.862 165.768 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 221.384 200.239 181.862 165.768 151.537 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 221.387 200.242 181.864 165.770 151.539 138.835 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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107.473 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 221.432 200.283 181.903 165.808 151.576 138.873 127.430 117.030 107.493 98.663 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 221.460 200.308 181.927 165.831 151.599 138.896 127.454 117.056 107.523 98.698 90.430 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 221.499 200.343 181.959 165.862 151.631 138.929 127.488 117.092 107.564 98.745 90.489 82.635 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 221.551 200.389 182.003 165.905 151.673 138.971 127.532 117.140 107.617 98.808 90.567 82.741 75.132 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 221.618 200.450 182.060 165.960 151.727 139.027 127.590 117.203 107.687 98.889 90.667 82.874 75.332 67.717 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 221.704 200.528 182.133 166.030 151.797 139.098 127.664 117.282 107.774 98.990 90.790 83.037 75.571 68.132 59.875 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 221.771 200.587 182.189 166.085 151.851 139.152 127.721 117.343 107.841 99.067 90.883 83.158 75.743 68.413 60.574 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 221.866 200.673 182.270 166.162 151.928 139.230 127.802 117.429 107.936 99.174 91.013 83.324 75.973 68.772 61.298 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 221.960 200.758 182.349 166.239 152.003 139.306 127.881 117.513 108.028 99.279 91.137 83.481 76.186 69.092 61.868 43.062 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 222.054 200.842 182.428 166.315 152.078 139.382 127.959 117.596 108.118 99.381 91.257 83.631 76.386 69.380 62.349 47.998 43.316 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 222.146 200.925 182.506 166.390 152.152 139.457 128.036 117.677 108.207 99.480 91.373 83.773 76.572 69.643 62.767 49.458 46.129 42.174 37.221 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 222.238 201.008 182.583 166.464 152.226 139.530 128.112 117.757 108.293 99.576 91.485 83.909 76.747 69.884 63.137 50.321 47.422 44.270 40.718 36.609 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 222.330 201.090 182.660 166.538 152.298 139.603 128.187 117.836 108.378 99.671 91.593 84.040 76.912 70.106 63.467 50.946 48.258 45.444 42.438 39.161 35.535 31.536 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 222.421 201.171 182.736 166.611 152.370 139.675 128.261 117.914 108.462 99.763 91.699 84.165 77.068 70.311 63.764 51.443 48.883 46.254 43.522 40.644 37.574 34.273 30.733 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 222.511 201.252 182.812 166.684 152.441 139.747 128.334 117.990 108.544 99.853 91.801 84.285 77.216 70.502 64.032 51.859 49.386 46.875 44.307 41.655 38.891 35.989 32.929 29.711 26.358 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 222.600 201.332 182.887 166.755 152.512 139.817 128.406 118.066 108.625 99.942 91.900 84.401 77.356 70.680 64.274 52.220 49.810 47.382 44.923 42.415 39.840 37.180 34.420 31.551 28.577 25.515 22.396 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 222.689 201.412 182.961 166.827 152.581 139.887 128.477 118.140 108.704 100.028 91.997 84.513 77.489 70.845 64.495 52.541 50.179 47.813 45.432 43.024 40.576 38.076 35.513 32.877 30.167 27.386 24.551 21.682 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 222.777 201.491 183.035 166.897 152.650 139.956 128.548 118.214 108.782 100.113 92.092 84.621 77.616 71.001 64.695 52.830 50.508 48.189 45.867 43.533 41.177 38.789 36.362 33.889 31.364 28.789 26.169 23.517 20.849 18.185 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 222.865 201.569 183.108 166.967 152.719 140.024 128.618 118.286 108.859 100.196 92.184 84.725 77.738 71.147 64.879 53.094 50.804 48.525 46.249 43.972 41.684 39.380 37.053 34.696 32.307 29.882 27.426 24.943 22.445 19.943 17.452 99999.999 99999.999 99999.999 99999.999 99999.999 222.952 201.647 183.180 167.037 152.787 140.092 128.686 118.357 108.934 100.278 92.274 84.827 77.854 71.284 65.048 53.338 51.075 48.828 46.591 44.358 42.125 39.885 37.633 35.365 33.077 30.766 28.434 26.083 23.720 21.352 18.991 16.647 14.332 99999.999 99999.999 99999.999 223.038 201.724 183.252 167.106 152.854 140.159 128.755 118.428 109.009 100.358 92.362 84.925 77.966 71.415 65.205 53.565 51.325 49.105 46.900 44.705 42.515 40.326 38.134 35.934 33.724 31.501 29.266 27.019 24.763 22.505 20.252 18.011 15.793 13.605 99999.999 99999.999 223.124 201.801 183.324 167.174 152.921 140.226 128.822 118.498 109.082 100.437 92.448 85.021 78.075 71.540 65.352 53.778 51.558 49.361 47.183 45.019 42.865 40.718 38.574 36.429 34.282 32.128 29.969 27.804 25.636 23.468 21.304 19.152 17.017 14.908 12.830 10.792 223.210 201.877 183.395 167.242 152.987 140.292 128.889 118.567 109.155 100.515 92.533 85.115 78.180 71.660 65.492 53.978 51.776 49.599 47.444 45.307 43.184 41.072 38.967 36.868 34.770 32.674 30.576 28.478 26.381 24.286 22.197 20.119 18.057 16.016 14.002 12.022 224.036 202.615 184.080 167.895 153.622 140.920 129.522 119.215 109.832 101.232 93.305 85.957 79.110 72.699 66.667 55.550 53.454 51.395 49.371 47.380 45.418 43.486 41.580 39.699 37.842 36.007 34.193 32.400 30.625 28.869 27.132 25.413 23.711 22.028 20.363 18.718 224.819 203.311 184.726 168.508 154.215 141.503 130.104 119.806 110.439 101.867 93.976 86.674 79.884 73.541 67.592 56.687 54.644 52.642 50.678 48.751 46.859 45.001 43.174 41.377 39.609 37.869 36.155 34.466 32.802 31.161 29.542 27.945 26.369 24.814 23.279 21.764 225.567 203.975 185.339 169.088 154.774 142.049 130.646 120.351 110.995 102.441 94.575 87.306 80.556 74.261 68.366 57.600 55.590 53.622 51.695 49.806 47.954 46.138 44.356 42.606 40.887 39.198 37.537 35.903 34.296 32.715 31.157 29.623 28.112 26.623 25.154 23.707 226.287 204.611 185.925 169.641 155.305 142.567 131.157 120.862 111.512 102.969 95.121 87.875 81.154 74.894 69.040 58.372 56.384 54.440 52.537 50.674 48.849 47.061 45.308 43.588 41.901 40.244 38.617 37.019 35.448 33.903 32.383 30.888 29.417 27.968 26.542 25.136 226.986 205.225 186.489 170.172 155.813 143.060 131.642 121.344 111.996 103.461 95.625 88.397 81.698 75.464 69.640 59.045 57.074 55.146 53.262 51.417 49.612 47.844 46.111 44.413 42.748 41.114 39.511 37.936 36.390 34.871 33.377 31.909 30.465 29.044 27.645 26.268 227.666 205.820 187.033 170.682 156.300 143.532 132.105 121.802 112.454 103.923 96.096 88.880 82.198 75.984 70.184 59.645 57.686 55.772 53.901 52.071 50.280 48.527 46.810 45.128 43.479 41.862 40.276 38.719 37.191 35.690 34.216 32.766 31.342 29.941 28.562 27.206 228.332 206.400 187.561 171.176 156.771 143.987 132.548 122.240 112.890 104.361 96.540 89.333 82.663 76.465 70.683 60.188 58.239 56.335 54.475 52.656 50.876 49.135 47.430 45.760 44.123 42.519 40.946 39.403 37.889 36.402 34.942 33.507 32.097 30.711 29.347 28.006 99999.999 206.967 188.074 171.655 157.226 144.426 132.976 122.660 113.307 104.778 96.960 89.760 83.099 76.913 71.145 60.685 58.744 56.849 54.997 53.186 51.416 49.683 47.988 46.328 44.701 43.107 41.545 40.012 38.508 37.032 35.583 34.160 32.761 31.386 30.034 28.705 CO,gas CO Ssln ID, Coef: 6 1.000 GAS P-T:All Wt.(g/mol) = 28.010 Ref: H&P2011 5 -0.250 4 -1.000 2 1.000 5 0.750 1 0.250 6 B,C 5.218 4.114 3.146 2.289 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.218 4.114 3.146 2.289 1.521 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.218 4.114 3.146 2.289 1.521 0.825 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.218 4.113 3.145 2.288 1.521 0.825 0.188 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.218 4.113 3.145 2.288 1.520 0.825 0.188 -0.402 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.217 4.112 3.144 2.287 1.519 0.824 0.188 -0.402 -0.954 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.216 4.110 3.143 2.286 1.518 0.823 0.187 -0.402 -0.954 -1.478 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.214 4.108 3.141 2.284 1.517 0.822 0.186 -0.402 -0.954 -1.477 -1.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.212 4.106 3.138 2.281 1.515 0.821 0.185 -0.403 -0.953 -1.476 -1.980 -2.480 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.209 4.102 3.134 2.278 1.512 0.818 0.183 -0.404 -0.953 -1.474 -1.976 -2.472 -2.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.205 4.097 3.129 2.274 1.508 0.815 0.181 -0.405 -0.952 -1.471 -1.970 -2.462 -2.964 -3.516 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.200 4.090 3.123 2.268 1.503 0.811 0.179 -0.406 -0.952 -1.468 -1.964 -2.450 -2.941 -3.468 -4.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.196 4.085 3.118 2.263 1.499 0.808 0.176 -0.407 -0.952 -1.466 -1.960 -2.442 -2.926 -3.438 -4.054 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.189 4.078 3.111 2.257 1.493 0.803 0.173 -0.409 -0.952 -1.464 -1.954 -2.430 -2.906 -3.400 -3.964 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.183 4.070 3.103 2.250 1.488 0.799 0.170 -0.411 -0.952 -1.462 -1.948 -2.420 -2.888 -3.367 -3.896 -5.901 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.176 4.063 3.096 2.243 1.482 0.794 0.166 -0.413 -0.952 -1.460 -1.944 -2.411 -2.872 -3.339 -3.842 -5.096 -5.654 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.170 4.055 3.089 2.237 1.476 0.789 0.162 -0.415 -0.953 -1.458 -1.939 -2.403 -2.857 -3.314 -3.797 -4.871 -5.205 -5.645 -6.243 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.163 4.047 3.081 2.230 1.470 0.784 0.159 -0.418 -0.954 -1.457 -1.935 -2.395 -2.844 -3.292 -3.758 -4.745 -5.009 -5.318 -5.695 -6.162 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.156 4.040 3.073 2.223 1.464 0.779 0.155 -0.420 -0.955 -1.456 -1.932 -2.388 -2.832 -3.273 -3.725 -4.659 -4.887 -5.141 -5.431 -5.767 -6.161 -6.612 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.149 4.032 3.066 2.216 1.458 0.774 0.151 -0.423 -0.956 -1.456 -1.929 -2.382 -2.822 -3.255 -3.695 -4.593 -4.801 -5.025 -5.270 -5.542 -5.849 -6.195 -6.579 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.141 4.024 3.058 2.209 1.452 0.769 0.147 -0.426 -0.957 -1.455 -1.926 -2.377 -2.812 -3.239 -3.669 -4.539 -4.734 -4.938 -5.157 -5.394 -5.652 -5.935 -6.247 -6.585 -6.945 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.134 4.016 3.050 2.202 1.446 0.764 0.143 -0.428 -0.958 -1.455 -1.924 -2.372 -2.803 -3.225 -3.646 -4.495 -4.679 -4.871 -5.072 -5.285 -5.513 -5.759 -6.023 -6.308 -6.612 -6.932 -7.262 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.126 4.007 3.043 2.195 1.439 0.758 0.138 -0.431 -0.960 -1.455 -1.922 -2.367 -2.795 -3.213 -3.626 -4.457 -4.633 -4.815 -5.004 -5.201 -5.409 -5.629 -5.863 -6.111 -6.375 -6.652 -6.941 -7.237 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.119 3.999 3.035 2.188 1.433 0.753 0.134 -0.434 -0.962 -1.455 -1.920 -2.363 -2.788 -3.201 -3.609 -4.423 -4.593 -4.767 -4.947 -5.133 -5.326 -5.528 -5.740 -5.964 -6.198 -6.444 -6.700 -6.964 -7.233 -7.505 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.111 3.991 3.027 2.180 1.427 0.748 0.130 -0.438 -0.964 -1.455 -1.919 -2.359 -2.782 -3.191 -3.593 -4.393 -4.558 -4.727 -4.899 -5.075 -5.258 -5.447 -5.643 -5.848 -6.062 -6.284 -6.515 -6.753 -6.997 -7.244 -7.493 99999.999 99999.999 99999.999 99999.999 99999.999 5.103 3.982 3.019 2.173 1.420 0.742 0.126 -0.441 -0.966 -1.456 -1.917 -2.356 -2.776 -3.182 -3.579 -4.367 -4.528 -4.691 -4.857 -5.026 -5.200 -5.379 -5.564 -5.754 -5.952 -6.157 -6.368 -6.586 -6.809 -7.035 -7.264 -7.494 -7.722 99999.999 99999.999 99999.999 5.095 3.974 3.011 2.166 1.414 0.737 0.121 -0.444 -0.968 -1.456 -1.916 -2.353 -2.770 -3.173 -3.566 -4.343 -4.500 -4.659 -4.820 -4.983 -5.150 -5.321 -5.496 -5.676 -5.862 -6.053 -6.249 -6.451 -6.656 -6.866 -7.078 -7.292 -7.505 -7.717 99999.999 99999.999 5.086 3.965 3.003 2.158 1.407 0.731 0.117 -0.448 -0.970 -1.457 -1.916 -2.350 -2.765 -3.166 -3.555 -4.321 -4.475 -4.630 -4.786 -4.945 -5.107 -5.271 -5.439 -5.610 -5.786 -5.966 -6.150 -6.338 -6.531 -6.726 -6.924 -7.124 -7.324 -7.523 -7.721 -7.916 5.078 3.957 2.995 2.151 1.401 0.726 0.112 -0.451 -0.972 -1.458 -1.915 -2.348 -2.761 -3.159 -3.545 -4.301 -4.452 -4.604 -4.757 -4.911 -5.068 -5.227 -5.388 -5.552 -5.720 -5.891 -6.066 -6.244 -6.425 -6.609 -6.795 -6.983 -7.171 -7.360 -7.547 -7.733 4.989 3.867 2.910 2.075 1.333 0.667 0.063 -0.490 -1.000 -1.474 -1.917 -2.335 -2.731 -3.109 -3.471 -4.162 -4.296 -4.429 -4.561 -4.692 -4.823 -4.954 -5.084 -5.214 -5.344 -5.474 -5.604 -5.734 -5.864 -5.995 -6.125 -6.255 -6.386 -6.516 -6.646 -6.776 4.890 3.771 2.822 1.995 1.262 0.604 0.009 -0.535 -1.035 -1.499 -1.932 -2.338 -2.721 -3.084 -3.431 -4.084 -4.209 -4.332 -4.455 -4.576 -4.695 -4.814 -4.931 -5.048 -5.164 -5.279 -5.393 -5.506 -5.619 -5.731 -5.843 -5.954 -6.064 -6.174 -6.283 -6.392 4.783 3.670 2.730 1.911 1.187 0.538 -0.049 -0.584 -1.076 -1.530 -1.954 -2.350 -2.723 -3.076 -3.411 -4.037 -4.156 -4.273 -4.389 -4.503 -4.616 -4.727 -4.837 -4.946 -5.054 -5.160 -5.265 -5.370 -5.473 -5.576 -5.678 -5.779 -5.879 -5.978 -6.076 -6.174 4.670 3.565 2.634 1.825 1.110 0.469 -0.109 -0.636 -1.120 -1.567 -1.982 -2.370 -2.734 -3.078 -3.403 -4.008 -4.123 -4.236 -4.347 -4.456 -4.564 -4.670 -4.775 -4.878 -4.980 -5.081 -5.181 -5.279 -5.377 -5.473 -5.569 -5.663 -5.757 -5.849 -5.941 -6.032 4.552 3.457 2.536 1.736 1.030 0.398 -0.173 -0.692 -1.169 -1.608 -2.016 -2.396 -2.752 -3.088 -3.405 -3.993 -4.104 -4.213 -4.320 -4.426 -4.530 -4.632 -4.733 -4.832 -4.930 -5.027 -5.122 -5.216 -5.309 -5.401 -5.492 -5.582 -5.671 -5.759 -5.846 -5.932 4.429 3.346 2.435 1.645 0.948 0.324 -0.239 -0.751 -1.220 -1.652 -2.053 -2.426 -2.776 -3.104 -3.414 -3.987 -4.095 -4.201 -4.305 -4.408 -4.509 -4.608 -4.705 -4.801 -4.896 -4.989 -5.081 -5.172 -5.262 -5.350 -5.437 -5.524 -5.609 -5.693 -5.776 -5.859 4.303 3.231 2.332 1.552 0.864 0.248 -0.307 -0.811 -1.273 -1.699 -2.093 -2.460 -2.803 -3.125 -3.429 -3.989 -4.094 -4.198 -4.299 -4.399 -4.497 -4.593 -4.688 -4.781 -4.873 -4.964 -5.053 -5.141 -5.228 -5.313 -5.398 -5.481 -5.564 -5.645 -5.725 -5.805 99999.999 3.115 2.227 1.457 0.778 0.171 -0.376 -0.874 -1.329 -1.749 -2.137 -2.497 -2.834 -3.150 -3.448 -3.996 -4.099 -4.200 -4.300 -4.397 -4.493 -4.587 -4.679 -4.770 -4.860 -4.948 -5.035 -5.120 -5.204 -5.288 -5.370 -5.451 -5.531 -5.610 -5.688 -5.765 CO,gas CO Ssln ID, Coef: 6 1.000 GAS P-T:All Wt.(g/mol) = 28.010 Ref: H&P2011 4 -0.500 31 -1.000 2 1.000 5 1.000 1 B,C 43.243 38.693 34.756 31.317 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.243 38.693 34.756 31.317 28.283 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.243 38.693 34.756 31.317 28.283 25.580 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.244 38.694 34.756 31.318 28.284 25.580 23.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.245 38.694 34.757 31.318 28.284 25.581 23.149 20.942 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.246 38.695 34.758 31.319 28.285 25.582 23.151 20.944 18.923 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.248 38.697 34.759 31.321 28.287 25.584 23.153 20.946 18.926 17.058 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.251 38.699 34.761 31.323 28.289 25.586 23.155 20.950 18.930 17.063 15.316 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.255 38.702 34.764 31.326 28.292 25.590 23.159 20.954 18.936 17.070 15.326 13.668 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.260 38.706 34.768 31.329 28.296 25.594 23.164 20.960 18.943 17.080 15.339 13.687 12.080 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.267 38.711 34.773 31.334 28.301 25.600 23.171 20.968 18.953 17.092 15.355 13.710 12.119 10.505 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.275 38.718 34.779 31.340 28.308 25.607 23.179 20.978 18.965 17.107 15.375 13.739 12.164 10.591 8.819 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.282 38.723 34.783 31.345 28.313 25.612 23.185 20.985 18.974 17.119 15.390 13.760 12.196 10.648 8.981 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.291 38.730 34.790 31.351 28.319 25.620 23.194 20.996 18.986 17.134 15.411 13.789 12.239 10.719 9.139 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.300 38.737 34.796 31.358 28.326 25.627 23.203 21.006 18.999 17.150 15.431 13.816 12.278 10.781 9.257 4.768 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.308 38.744 34.802 31.364 28.333 25.635 23.211 21.016 19.010 17.164 15.449 13.841 12.314 10.836 9.354 6.109 4.972 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.317 38.751 34.808 31.370 28.339 25.642 23.219 21.025 19.022 17.178 15.467 13.865 12.347 10.886 9.437 6.490 5.723 4.787 3.598 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.325 38.757 34.814 31.376 28.345 25.649 23.227 21.034 19.033 17.192 15.485 13.887 12.378 10.931 9.509 6.706 6.056 5.336 4.510 3.542 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.333 38.763 34.820 31.382 28.352 25.655 23.235 21.043 19.044 17.205 15.501 13.909 12.406 10.972 9.572 6.857 6.264 5.636 4.954 4.201 3.359 2.428 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.341 38.769 34.826 31.387 28.358 25.662 23.242 21.052 19.054 17.218 15.517 13.929 12.433 11.009 9.629 6.974 6.415 5.836 5.228 4.579 3.880 3.122 2.307 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.349 38.775 34.831 31.393 28.363 25.669 23.250 21.061 19.064 17.230 15.532 13.948 12.459 11.044 9.679 7.069 6.533 5.985 5.420 4.832 4.212 3.556 2.860 2.125 1.359 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.356 38.781 34.837 31.398 28.369 25.675 23.257 21.069 19.074 17.242 15.546 13.967 12.482 11.076 9.725 7.150 6.630 6.104 5.568 5.017 4.448 3.854 3.234 2.586 1.911 1.216 0.508 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.363 38.787 34.842 31.403 28.375 25.681 23.264 21.077 19.084 17.253 15.561 13.984 12.505 11.105 9.766 7.220 6.713 6.204 5.688 5.163 4.627 4.075 3.505 2.916 2.307 1.680 1.040 0.391 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.370 38.793 34.847 31.409 28.380 25.687 23.271 21.085 19.093 17.264 15.574 14.001 12.526 11.133 9.803 7.282 6.786 6.288 5.788 5.283 4.770 4.247 3.713 3.165 2.603 2.028 1.440 0.844 0.243 -0.357 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.377 38.798 34.852 31.414 28.386 25.693 23.277 21.093 19.102 17.275 15.587 14.017 12.546 11.158 9.837 7.338 6.850 6.363 5.874 5.384 4.889 4.388 3.879 3.362 2.834 2.297 1.750 1.196 0.636 0.075 -0.484 99999.999 99999.999 99999.999 99999.999 99999.999 43.384 38.803 34.857 31.418 28.391 25.699 23.284 21.100 19.111 17.286 15.600 14.032 12.565 11.182 9.868 7.389 6.908 6.429 5.950 5.471 4.990 4.506 4.017 3.522 3.021 2.512 1.997 1.476 0.950 0.422 -0.106 -0.631 -1.150 99999.999 99999.999 99999.999 43.391 38.808 34.862 31.423 28.396 25.704 23.290 21.108 19.120 17.296 15.612 14.047 12.583 11.205 9.897 7.436 6.961 6.488 6.018 5.548 5.079 4.607 4.134 3.657 3.175 2.689 2.199 1.704 1.205 0.704 0.203 -0.296 -0.791 -1.281 99999.999 99999.999 43.397 38.813 34.866 31.428 28.401 25.710 23.296 21.115 19.128 17.306 15.624 14.062 12.601 11.226 9.924 7.480 7.009 6.543 6.079 5.617 5.157 4.696 4.235 3.772 3.307 2.838 2.367 1.893 1.417 0.939 0.461 -0.016 -0.490 -0.960 -1.424 -1.879 43.403 38.818 34.871 31.432 28.406 25.715 23.303 21.122 19.136 17.316 15.636 14.075 12.618 11.247 9.949 7.520 7.054 6.593 6.135 5.680 5.227 4.775 4.324 3.873 3.420 2.967 2.511 2.054 1.596 1.137 0.678 0.220 -0.236 -0.688 -1.135 -1.576 43.458 38.861 34.911 31.473 28.449 25.763 23.357 21.184 19.209 17.401 15.736 14.194 12.759 11.415 10.151 7.821 7.381 6.949 6.523 6.105 5.692 5.286 4.884 4.488 4.096 3.709 3.325 2.946 2.570 2.198 1.829 1.463 1.101 0.742 0.387 0.035 43.500 38.894 34.942 31.505 28.484 25.802 23.401 21.235 19.268 17.469 15.816 14.287 12.867 11.541 10.298 8.020 7.594 7.175 6.765 6.362 5.967 5.579 5.197 4.821 4.451 4.087 3.728 3.375 3.026 2.682 2.343 2.008 1.678 1.351 1.029 0.711 43.532 38.919 34.965 31.530 28.511 25.833 23.437 21.277 19.316 17.525 15.880 14.362 12.953 11.641 10.412 8.170 7.751 7.342 6.940 6.547 6.162 5.784 5.413 5.049 4.691 4.339 3.993 3.653 3.319 2.989 2.665 2.346 2.031 1.721 1.415 1.114 43.555 38.938 34.983 31.549 28.533 25.858 23.466 21.311 19.356 17.572 15.934 14.424 13.024 11.722 10.505 8.288 7.876 7.472 7.077 6.690 6.312 5.941 5.577 5.220 4.870 4.526 4.189 3.858 3.532 3.211 2.896 2.586 2.281 1.981 1.685 1.394 43.572 38.950 34.995 31.563 28.550 25.879 23.491 21.340 19.389 17.611 15.979 14.476 13.084 11.790 10.582 8.386 7.977 7.578 7.188 6.806 6.432 6.066 5.708 5.357 5.012 4.674 4.343 4.017 3.697 3.383 3.075 2.771 2.473 2.179 1.890 1.606 43.584 38.958 35.003 31.573 28.562 25.894 23.510 21.363 19.417 17.644 16.018 14.520 13.135 11.847 10.647 8.467 8.062 7.667 7.280 6.902 6.532 6.170 5.816 5.469 5.128 4.795 4.468 4.147 3.832 3.522 3.218 2.920 2.626 2.337 2.054 1.774 43.590 38.961 35.007 31.579 28.571 25.906 23.525 21.382 19.441 17.671 16.050 14.558 13.178 11.896 10.702 8.536 8.134 7.742 7.358 6.983 6.617 6.258 5.907 5.563 5.226 4.896 4.572 4.255 3.943 3.637 3.337 3.042 2.752 2.467 2.187 1.912 99999.999 38.961 35.008 31.581 28.576 25.915 23.537 21.398 19.460 17.694 16.078 14.590 13.215 11.938 10.750 8.596 8.196 7.806 7.425 7.053 6.689 6.333 5.984 5.643 5.309 4.982 4.661 4.346 4.038 3.735 3.437 3.145 2.859 2.577 2.300 2.027 NO2,gas NO2 Ssln ID, Coef: 6 1.000 GAS P-T:All Wt.(g/mol) = 46.006 Ref: H&P2011 5 -0.125 1 -0.875 6 -1.500 2 1.000 32 0.875 4 B,C 84.785 76.516 69.443 63.330 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.785 76.516 69.443 63.330 57.992 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.786 76.517 69.443 63.330 57.992 53.285 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.787 76.517 69.443 63.331 57.993 53.285 49.097 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.788 76.518 69.444 63.332 57.994 53.286 49.098 45.339 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.790 76.520 69.446 63.333 57.995 53.288 49.099 45.341 41.940 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.794 76.523 69.448 63.335 57.997 53.290 49.102 45.344 41.944 38.843 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.799 76.526 69.451 63.338 58.001 53.294 49.106 45.348 41.949 38.849 35.995 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.806 76.532 69.456 63.343 58.005 53.298 49.111 45.353 41.955 38.857 36.005 33.351 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.815 76.538 69.462 63.348 58.010 53.304 49.117 45.361 41.964 38.868 36.020 33.371 30.869 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.826 76.547 69.469 63.356 58.018 53.312 49.126 45.371 41.976 38.882 36.037 33.396 30.907 28.500 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.841 76.558 69.479 63.365 58.027 53.322 49.137 45.383 41.990 38.899 36.060 33.426 30.951 28.577 26.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.852 76.567 69.487 63.372 58.034 53.329 49.145 45.392 42.001 38.912 36.076 33.448 30.984 28.629 26.268 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.868 76.579 69.497 63.382 58.044 53.340 49.156 45.405 42.016 38.930 36.099 33.479 31.027 28.697 26.398 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.884 76.590 69.507 63.392 58.054 53.350 49.168 45.418 42.031 38.948 36.121 33.508 31.068 28.758 26.504 21.738 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.899 76.602 69.517 63.401 58.064 53.360 49.179 45.430 42.045 38.965 36.142 33.535 31.105 28.813 26.595 22.470 21.400 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.914 76.613 69.527 63.410 58.073 53.370 49.189 45.443 42.059 38.981 36.162 33.561 31.140 28.863 26.676 22.692 21.823 20.867 19.752 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.928 76.624 69.537 63.419 58.082 53.380 49.200 45.454 42.072 38.997 36.182 33.585 31.173 28.909 26.747 22.830 22.024 21.190 20.302 19.328 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.942 76.635 69.546 63.428 58.091 53.389 49.210 45.466 42.086 39.013 36.200 33.609 31.203 28.951 26.811 22.933 22.158 21.375 20.571 19.733 18.844 17.893 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.956 76.645 69.555 63.437 58.100 53.398 49.220 45.477 42.098 39.028 36.218 33.631 31.232 28.990 26.868 23.017 22.262 21.507 20.745 19.969 19.170 18.340 17.473 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.970 76.656 69.564 63.446 58.109 53.408 49.230 45.488 42.111 39.042 36.236 33.652 31.259 29.026 26.920 23.089 22.347 21.610 20.873 20.133 19.383 18.618 17.834 17.027 16.200 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.983 76.666 69.573 63.454 58.117 53.416 49.240 45.499 42.123 39.056 36.252 33.673 31.285 29.059 26.966 23.152 22.420 21.696 20.977 20.258 19.538 18.813 18.078 17.331 16.572 15.802 15.025 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.996 76.675 69.582 63.462 58.125 53.425 49.249 45.509 42.135 39.070 36.269 33.692 31.309 29.090 27.008 23.208 22.485 21.771 21.063 20.361 19.661 18.961 18.258 17.550 16.836 16.116 15.391 14.665 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.009 76.685 69.590 63.470 58.133 53.434 49.258 45.519 42.146 39.083 36.284 33.711 31.332 29.119 27.046 23.260 22.543 21.836 21.139 20.448 19.763 19.080 18.400 17.718 17.036 16.351 15.664 14.977 14.291 13.610 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.022 76.695 69.598 63.478 58.141 53.442 49.267 45.529 42.158 39.096 36.299 33.729 31.353 29.145 27.080 23.307 22.596 21.896 21.206 20.524 19.850 19.181 18.516 17.854 17.194 16.534 15.875 15.218 14.563 13.912 13.267 99999.999 99999.999 99999.999 99999.999 99999.999 85.034 76.704 69.606 63.486 58.149 53.450 49.276 45.539 42.169 39.109 36.314 33.746 31.374 29.170 27.112 23.351 22.644 21.950 21.266 20.592 19.926 19.268 18.616 17.968 17.324 16.683 16.046 15.411 14.779 14.152 13.531 12.918 12.314 99999.999 99999.999 99999.999 85.046 76.713 69.614 63.493 58.157 53.458 49.285 45.549 42.180 39.121 36.328 33.763 31.394 29.194 27.141 23.392 22.689 21.999 21.321 20.653 19.995 19.345 18.702 18.066 17.435 16.809 16.187 15.570 14.957 14.349 13.747 13.152 12.566 11.990 99999.999 99999.999 85.058 76.722 69.622 63.501 58.164 53.466 49.293 45.558 42.190 39.134 36.342 33.779 31.413 29.216 27.167 23.431 22.732 22.046 21.372 20.709 20.057 19.414 18.779 18.152 17.531 16.916 16.307 15.704 15.106 14.513 13.927 13.348 12.777 12.215 11.663 11.122 85.069 76.730 69.630 63.508 58.171 53.473 49.301 45.567 42.200 39.145 36.356 33.795 31.431 29.238 27.193 23.468 22.771 22.089 21.419 20.761 20.114 19.477 18.848 18.229 17.616 17.011 16.412 15.820 15.233 14.653 14.080 13.514 12.955 12.406 11.865 11.335 85.172 76.808 69.698 63.573 58.237 53.542 49.376 45.649 42.292 39.249 36.475 33.931 31.588 29.419 27.402 23.755 23.078 22.418 21.772 21.140 20.522 19.916 19.322 18.740 18.169 17.609 17.058 16.518 15.986 15.463 14.949 14.444 13.947 13.458 12.977 12.503 85.256 76.871 69.753 63.626 58.291 53.599 49.437 45.717 42.368 39.335 36.571 34.040 31.711 29.559 27.561 23.960 23.294 22.645 22.011 21.392 20.787 20.196 19.617 19.051 18.497 17.954 17.422 16.901 16.389 15.887 15.395 14.911 14.436 13.970 13.512 13.061 85.324 76.922 69.798 63.670 58.336 53.647 49.489 45.774 42.431 39.405 36.651 34.130 31.813 29.673 27.689 24.119 23.461 22.819 22.193 21.582 20.986 20.403 19.834 19.278 18.733 18.201 17.679 17.169 16.669 16.178 15.698 15.226 14.764 14.310 13.864 13.427 85.380 76.963 69.835 63.705 58.373 53.686 49.532 45.821 42.484 39.465 36.718 34.205 31.897 29.767 27.794 24.249 23.596 22.960 22.339 21.735 21.144 20.568 20.005 19.455 18.918 18.392 17.878 17.375 16.882 16.400 15.927 15.464 15.009 14.564 14.127 13.697 85.426 76.996 69.863 63.734 58.403 53.719 49.568 45.862 42.530 39.516 36.775 34.269 31.969 29.847 27.883 24.358 23.709 23.077 22.461 21.861 21.275 20.704 20.146 19.601 19.068 18.548 18.039 17.541 17.054 16.577 16.110 15.653 15.204 14.765 14.333 13.911 85.463 77.021 69.886 63.756 58.427 53.746 49.598 45.896 42.568 39.559 36.824 34.324 32.030 29.916 27.959 24.450 23.805 23.176 22.564 21.967 21.385 20.818 20.264 19.723 19.194 18.678 18.173 17.680 17.197 16.724 16.262 15.809 15.365 14.929 14.503 14.085 85.493 77.041 69.902 63.773 58.445 53.767 49.623 45.924 42.600 39.596 36.865 34.371 32.083 29.975 28.025 24.529 23.887 23.262 22.652 22.059 21.480 20.915 20.365 19.827 19.302 18.789 18.287 17.797 17.318 16.849 16.389 15.940 15.499 15.068 14.645 14.230 99999.999 77.055 69.914 63.785 58.460 53.784 49.643 45.948 42.628 39.628 36.901 34.412 32.129 30.026 28.082 24.598 23.958 23.336 22.729 22.138 21.562 21.000 20.452 19.917 19.394 18.884 18.386 17.898 17.422 16.955 16.499 16.052 15.615 15.186 14.766 14.354 NO2,gas NO2 Ssln ID, Coef: 6 1.000 GAS P-T:All Wt.(g/mol) = 46.006 Ref: H&P2011 4 -1.000 1 -1.500 2 1.000 32 1.750 31 B,C -48.301 -44.511 -41.192 -38.269 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-52.013 -48.014 -44.461 -41.321 -38.531 -36.036 -33.789 -31.753 -29.899 -28.200 -26.637 -25.191 -23.850 -22.600 -21.432 -19.307 -18.912 -18.526 -18.148 -17.779 -17.417 -17.064 -16.717 -16.378 -16.046 -15.720 -15.401 -15.087 -14.780 -14.478 -14.182 -13.892 -13.606 -13.325 -13.050 -12.779 99999.999 -48.407 -44.819 -41.650 -38.836 -36.319 -34.054 -32.003 -30.134 -28.423 -26.848 -25.393 -24.043 -22.785 -21.610 -19.473 -19.076 -18.687 -18.308 -17.937 -17.574 -17.218 -16.871 -16.530 -16.196 -15.869 -15.549 -15.234 -14.926 -14.623 -14.326 -14.034 -13.748 -13.466 -13.190 -12.918 SO3,gas SO3 Ssln ID, Coef: 6 1.000 GAS P-T:All Wt.(g/mol) = 80.064 Ref: H&P2011 3 -1.000 2 1.000 4 2.000 1 B,C 27.439 23.875 20.723 17.925 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 27.461 23.885 20.730 17.932 15.429 13.165 11.097 9.189 7.409 5.728 4.114 2.531 0.928 -0.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.469 23.888 20.732 17.935 15.432 13.170 11.105 9.200 7.425 5.750 4.147 2.580 1.007 -0.655 -2.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.475 23.890 20.734 17.937 15.435 13.174 11.111 9.209 7.437 5.767 4.171 2.617 1.064 -0.556 -2.454 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.482 23.893 20.736 17.939 15.438 13.180 11.119 9.220 7.453 5.790 4.203 2.665 1.140 -0.430 -2.198 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.490 23.896 20.737 17.941 15.441 13.185 11.127 9.232 7.469 5.811 4.234 2.710 1.209 -0.319 -1.992 -6.473 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.497 23.899 20.739 17.943 15.444 13.189 11.134 9.242 7.483 5.832 4.263 2.753 1.272 -0.219 -1.816 -4.997 -6.226 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.504 23.901 20.740 17.944 15.447 13.194 11.141 9.252 7.497 5.852 4.291 2.792 1.330 -0.129 -1.663 -4.559 -5.378 -6.401 -7.777 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.510 23.903 20.741 17.946 15.449 13.198 11.147 9.261 7.511 5.870 4.317 2.829 1.384 -0.048 -1.529 -4.292 -4.983 -5.759 -6.670 -7.782 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.517 23.905 20.742 17.947 15.452 13.202 11.153 9.270 7.524 5.888 4.341 2.863 1.434 0.026 -1.410 -4.096 -4.723 -5.395 -6.135 -6.971 -7.935 -9.048 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.522 23.907 20.742 17.948 15.453 13.205 11.159 9.279 7.536 5.905 4.365 2.896 1.479 0.093 -1.304 -3.938 -4.526 -5.141 -5.796 -6.504 -7.283 -8.149 -9.113 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.528 23.908 20.743 17.948 15.455 13.209 11.165 9.287 7.548 5.921 4.387 2.926 1.522 0.154 -1.211 -3.806 -4.365 -4.944 -5.547 -6.184 -6.864 -7.597 -8.392 -9.253 -10.175 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.533 23.909 20.743 17.949 15.457 13.212 11.170 9.295 7.559 5.936 4.408 2.955 1.561 0.209 -1.128 -3.690 -4.230 -4.782 -5.351 -5.942 -6.561 -7.214 -7.908 -8.647 -9.432 -10.258 -11.117 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.538 23.910 20.743 17.949 15.458 13.214 11.174 9.302 7.569 5.951 4.428 2.982 1.598 0.260 -1.054 -3.588 -4.111 -4.643 -5.187 -5.746 -6.324 -6.926 -7.555 -8.215 -8.907 -9.632 -10.385 -11.159 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.543 23.911 20.742 17.949 15.459 13.217 11.179 9.310 7.580 5.965 4.447 3.007 1.632 0.306 -0.989 -3.496 -4.006 -4.522 -5.047 -5.582 -6.131 -6.695 -7.280 -7.886 -8.515 -9.168 -9.844 -10.538 -11.246 -11.960 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.547 23.911 20.742 17.949 15.460 13.219 11.183 9.316 7.589 5.979 4.465 3.031 1.664 0.348 -0.931 -3.412 -3.911 -4.415 -4.924 -5.440 -5.966 -6.504 -7.055 -7.622 -8.207 -8.808 -9.427 -10.061 -10.708 -11.361 -12.018 99999.999 99999.999 99999.999 99999.999 99999.999 27.551 23.911 20.741 17.948 15.460 13.221 11.187 9.323 7.599 5.992 4.482 3.054 1.693 0.387 -0.880 -3.335 -3.825 -4.317 -4.813 -5.315 -5.823 -6.340 -6.866 -7.404 -7.955 -8.518 -9.094 -9.683 -10.281 -10.887 -11.496 -12.104 -12.707 99999.999 99999.999 99999.999 27.555 23.911 20.741 17.948 15.461 13.223 11.191 9.329 7.607 6.004 4.499 3.076 1.721 0.422 -0.833 -3.263 -3.745 -4.229 -4.714 -5.203 -5.696 -6.196 -6.703 -7.218 -7.742 -8.276 -8.820 -9.373 -9.934 -10.501 -11.071 -11.642 -12.210 -12.772 99999.999 99999.999 27.558 23.911 20.740 17.947 15.461 13.225 11.194 9.334 7.616 6.016 4.515 3.096 1.747 0.456 -0.791 -3.197 -3.672 -4.147 -4.623 -5.101 -5.582 -6.068 -6.559 -7.056 -7.559 -8.070 -8.588 -9.113 -9.644 -10.181 -10.720 -11.260 -11.798 -12.331 -12.857 -13.373 27.562 23.911 20.738 17.946 15.461 13.226 11.198 9.340 7.624 6.027 4.530 3.116 1.773 0.487 -0.751 -3.135 -3.603 -4.071 -4.539 -5.008 -5.479 -5.953 -6.430 -6.912 -7.399 -7.891 -8.388 -8.890 -9.398 -9.909 -10.422 -10.936 -11.449 -11.958 -12.462 -12.958 27.581 23.897 20.718 17.929 15.453 13.231 11.218 9.380 7.688 6.118 4.653 3.277 1.976 0.741 -0.439 -2.665 -3.093 -3.517 -3.937 -4.353 -4.766 -5.175 -5.583 -5.988 -6.391 -6.793 -7.193 -7.591 -7.988 -8.383 -8.778 -9.170 -9.561 -9.949 -10.336 -10.719 27.579 23.868 20.684 17.899 15.431 13.220 11.221 9.399 7.726 6.179 4.738 3.390 2.121 0.920 -0.221 -2.353 -2.760 -3.160 -3.555 -3.945 -4.331 -4.712 -5.089 -5.461 -5.831 -6.196 -6.559 -6.918 -7.275 -7.629 -7.980 -8.328 -8.674 -9.017 -9.358 -9.696 27.561 23.825 20.638 17.858 15.398 13.197 11.211 9.403 7.746 6.216 4.796 3.470 2.225 1.052 -0.060 -2.126 -2.518 -2.903 -3.282 -3.656 -4.024 -4.387 -4.745 -5.098 -5.447 -5.792 -6.133 -6.471 -6.804 -7.135 -7.462 -7.785 -8.106 -8.424 -8.739 -9.052 27.529 23.773 20.583 17.807 15.355 13.165 11.189 9.394 7.751 6.237 4.834 3.527 2.302 1.150 0.061 -1.954 -2.334 -2.708 -3.075 -3.437 -3.792 -4.142 -4.487 -4.827 -5.163 -5.493 -5.820 -6.142 -6.460 -6.775 -7.086 -7.394 -7.698 -7.999 -8.297 -8.592 27.487 23.711 20.520 17.749 15.305 13.124 11.159 9.376 7.745 6.245 4.856 3.565 2.357 1.223 0.154 -1.819 -2.191 -2.556 -2.914 -3.266 -3.612 -3.952 -4.287 -4.617 -4.942 -5.262 -5.577 -5.888 -6.195 -6.499 -6.798 -7.094 -7.386 -7.675 -7.961 -8.244 27.436 23.642 20.450 17.684 15.248 13.076 11.121 9.348 7.729 6.241 4.866 3.588 2.396 1.277 0.224 -1.714 -2.078 -2.436 -2.786 -3.131 -3.469 -3.801 -4.128 -4.449 -4.766 -5.077 -5.384 -5.687 -5.985 -6.280 -6.570 -6.857 -7.140 -7.419 -7.696 -7.969 27.377 23.567 20.374 17.614 15.185 13.022 11.077 9.314 7.706 6.229 4.865 3.600 2.420 1.316 0.277 -1.631 -1.989 -2.340 -2.684 -3.022 -3.354 -3.680 -4.000 -4.314 -4.624 -4.929 -5.229 -5.524 -5.815 -6.103 -6.386 -6.665 -6.941 -7.213 -7.482 -7.748 99999.999 23.487 20.293 17.538 15.117 12.963 11.027 9.274 7.675 6.209 4.856 3.602 2.434 1.342 0.316 -1.566 -1.919 -2.264 -2.603 -2.935 -3.261 -3.581 -3.896 -4.205 -4.509 -4.808 -5.102 -5.391 -5.677 -5.958 -6.235 -6.508 -6.778 -7.045 -7.308 -7.567 O2,gas O2 GAS P-T:All Wt.(g/mol) = 32.000 Ref: H&P2011 3 0.500 4 0.500 1 -0.500 6 73.390 66.258 60.186 54.960 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.390 66.258 60.186 54.960 50.414 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.390 66.258 60.186 54.960 50.414 46.421 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.390 66.258 60.186 54.960 50.415 46.421 42.883 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.391 66.258 60.186 54.961 50.415 46.422 42.883 39.723 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.391 66.258 60.187 54.961 50.415 46.422 42.884 39.723 36.879 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.392 66.259 60.187 54.961 50.416 46.423 42.885 39.724 36.880 34.302 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.394 66.260 60.188 54.962 50.416 46.423 42.886 39.726 36.882 34.304 31.949 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.395 66.261 60.189 54.963 50.417 46.425 42.887 39.727 36.884 34.307 31.953 29.784 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.398 66.263 60.190 54.964 50.418 46.426 42.889 39.729 36.887 34.311 31.958 29.792 27.773 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.401 66.265 60.191 54.966 50.420 46.428 42.891 39.732 36.890 34.316 31.965 29.802 27.790 25.882 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.405 66.267 60.193 54.967 50.422 46.430 42.893 39.736 36.895 34.321 31.973 29.814 27.809 25.918 24.052 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.408 66.269 60.195 54.969 50.423 46.432 42.896 39.738 36.898 34.326 31.980 29.823 27.823 25.942 24.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.412 66.271 60.197 54.971 50.425 46.434 42.898 39.742 36.903 34.332 31.988 29.835 27.841 25.973 24.176 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.416 66.274 60.199 54.972 50.427 46.436 42.901 39.745 36.907 34.338 31.996 29.846 27.858 26.000 24.227 20.625 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.420 66.276 60.201 54.974 50.429 46.438 42.904 39.748 36.911 34.343 32.003 29.857 27.874 26.024 24.269 21.036 20.270 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.424 66.279 60.202 54.976 50.431 46.440 42.906 39.751 36.915 34.348 32.010 29.866 27.888 26.046 24.306 21.155 20.503 19.807 19.031 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.428 66.281 60.204 54.977 50.432 46.442 42.908 39.754 36.919 34.353 32.017 29.876 27.901 26.066 24.339 21.225 20.609 19.982 19.330 18.637 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.432 66.283 60.206 54.979 50.434 46.444 42.910 39.757 36.922 34.358 32.023 29.884 27.913 26.084 24.368 21.276 20.677 20.079 19.474 18.855 18.213 17.545 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.435 66.285 60.207 54.980 50.435 46.446 42.913 39.760 36.926 34.362 32.029 29.892 27.924 26.100 24.393 21.317 20.728 20.145 19.564 18.979 18.387 17.783 17.164 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.439 66.287 60.209 54.981 50.437 46.447 42.915 39.762 36.929 34.366 32.034 29.900 27.935 26.115 24.415 21.350 20.769 20.196 19.628 19.063 18.498 17.929 17.354 16.773 16.185 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.442 66.289 60.210 54.983 50.438 46.449 42.916 39.765 36.932 34.370 32.040 29.907 27.944 26.128 24.435 21.379 20.804 20.238 19.679 19.126 18.577 18.030 17.482 16.932 16.380 15.826 15.274 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.446 66.291 60.211 54.984 50.439 46.450 42.918 39.767 36.935 34.374 32.045 29.913 27.953 26.140 24.453 21.405 20.833 20.273 19.721 19.176 18.638 18.105 17.574 17.045 16.517 15.990 15.464 14.942 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.449 66.293 60.213 54.985 50.440 46.451 42.920 39.769 36.938 34.378 32.049 29.920 27.961 26.151 24.469 21.428 20.860 20.303 19.756 19.218 18.688 18.164 17.645 17.131 16.619 16.111 15.605 15.103 14.606 14.115 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.452 66.294 60.214 54.986 50.441 46.453 42.922 39.771 36.941 34.382 32.054 29.925 27.969 26.161 24.483 21.448 20.883 20.330 19.787 19.254 18.730 18.213 17.703 17.198 16.699 16.204 15.713 15.227 14.746 14.271 13.802 99999.999 99999.999 99999.999 99999.999 99999.999 73.455 66.296 60.215 54.987 50.442 46.454 42.923 39.773 36.943 34.385 32.058 29.931 27.976 26.171 24.495 21.467 20.905 20.354 19.815 19.285 18.766 18.255 17.751 17.254 16.764 16.279 15.800 15.325 14.857 14.394 13.938 13.489 13.048 99999.999 99999.999 99999.999 73.458 66.297 60.216 54.988 50.443 46.455 42.925 39.775 36.946 34.388 32.063 29.936 27.983 26.179 24.506 21.485 20.924 20.376 19.839 19.313 18.797 18.291 17.792 17.302 16.818 16.341 15.870 15.405 14.946 14.493 14.047 13.608 13.177 12.754 99999.999 99999.999 73.461 66.299 60.217 54.988 50.444 46.456 42.926 39.777 36.948 34.391 32.066 29.941 27.989 26.187 24.516 21.501 20.942 20.396 19.862 19.339 18.826 18.323 17.829 17.343 16.864 16.393 15.929 15.472 15.021 14.576 14.138 13.707 13.283 12.868 12.460 12.061 73.464 66.300 60.218 54.989 50.445 46.457 42.927 39.779 36.951 34.394 32.070 29.946 27.995 26.195 24.526 21.516 20.959 20.414 19.882 19.362 18.851 18.351 17.861 17.379 16.905 16.439 15.980 15.529 15.084 14.646 14.214 13.790 13.373 12.964 12.562 12.169 73.490 66.311 60.223 54.993 50.450 46.464 42.937 39.792 36.968 34.418 32.101 29.985 28.044 26.255 24.600 21.628 21.081 20.548 20.027 19.520 19.025 18.541 18.068 17.605 17.153 16.710 16.276 15.852 15.435 15.027 14.627 14.235 13.850 13.472 13.101 12.738 73.510 66.317 60.224 54.993 50.450 46.465 42.940 39.798 36.979 34.433 32.121 30.012 28.078 26.297 24.651 21.701 21.159 20.631 20.117 19.615 19.127 18.650 18.184 17.730 17.286 16.852 16.428 16.013 15.606 15.209 14.819 14.438 14.064 13.698 13.339 12.987 73.525 66.319 60.222 54.989 50.446 46.463 42.940 39.801 36.984 34.442 32.135 30.030 28.101 26.326 24.687 21.752 21.214 20.690 20.179 19.682 19.197 18.725 18.264 17.814 17.375 16.946 16.526 16.117 15.716 15.324 14.941 14.565 14.198 13.838 13.485 13.140 73.537 66.318 60.216 54.982 50.439 46.457 42.936 39.799 36.985 34.446 32.143 30.042 28.118 26.348 24.713 21.790 21.254 20.733 20.225 19.731 19.249 18.779 18.322 17.875 17.439 17.013 16.598 16.192 15.795 15.406 15.027 14.655 14.292 13.936 13.587 13.246 73.546 66.314 60.208 54.972 50.430 46.449 42.929 39.794 36.983 34.447 32.146 30.049 28.128 26.362 24.732 21.819 21.285 20.765 20.260 19.768 19.288 18.821 18.365 17.921 17.488 17.065 16.651 16.248 15.854 15.468 15.091 14.723 14.362 14.009 13.663 13.325 73.553 66.308 60.197 54.961 50.418 46.438 42.920 39.787 36.978 34.444 32.147 30.052 28.135 26.372 24.746 21.841 21.308 20.790 20.287 19.796 19.318 18.853 18.399 17.957 17.525 17.104 16.693 16.292 15.899 15.516 15.141 14.775 14.416 14.065 13.722 13.385 73.558 66.300 60.184 54.947 50.405 46.426 42.910 39.778 36.971 34.440 32.144 30.052 28.138 26.378 24.755 21.857 21.326 20.809 20.307 19.818 19.342 18.878 18.426 17.985 17.555 17.135 16.726 16.326 15.935 15.554 15.181 14.816 14.459 14.110 13.768 13.433 99999.999 66.290 60.170 54.932 50.390 46.412 42.897 39.767 36.962 34.433 32.139 30.050 28.138 26.381 24.761 21.868 21.339 20.823 20.322 19.835 19.360 18.897 18.446 18.007 17.578 17.160 16.752 16.353 15.964 15.584 15.212 14.848 14.493 14.145 13.805 13.472 O2,gas O2 Ssln ID, Coef: 6 1.000 GAS P-T:All Wt.(g/mol) = 32.000 Ref: H&P2011 1 1.000 31 B,C -2.659 -2.901 -3.034 -3.097 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.659 -2.901 -3.034 -3.097 -3.110 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-1.527 -1.387 -1.230 -1.054 -0.859 -0.646 -0.423 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.002 -3.243 -3.362 -3.410 -3.409 -3.373 -3.312 -3.230 -3.133 -3.023 -2.901 -2.769 -2.627 -2.474 -2.307 -1.910 -1.815 -1.713 -1.601 -1.479 -1.345 -1.196 -1.033 -0.856 -0.667 -0.469 -0.267 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.028 -3.268 -3.387 -3.434 -3.432 -3.395 -3.332 -3.250 -3.152 -3.042 -2.920 -2.789 -2.647 -2.496 -2.331 -1.948 -1.859 -1.764 -1.662 -1.552 -1.432 -1.303 -1.162 -1.010 -0.847 -0.675 -0.497 -0.315 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.055 -3.294 -3.412 -3.457 -3.454 -3.416 -3.353 -3.270 -3.172 -3.061 -2.939 -2.808 -2.667 -2.517 -2.355 -1.983 -1.898 -1.809 -1.714 -1.612 -1.503 -1.387 -1.262 -1.128 -0.985 -0.833 -0.676 -0.513 -0.347 -0.180 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.081 -3.320 -3.436 -3.481 -3.476 -3.437 -3.373 -3.290 -3.191 -3.079 -2.958 -2.827 -2.687 -2.537 -2.377 -2.016 -1.934 -1.849 -1.759 -1.664 -1.563 -1.456 -1.342 -1.221 -1.093 -0.958 -0.817 -0.670 -0.520 -0.367 -0.214 99999.999 99999.999 99999.999 99999.999 99999.999 -3.107 -3.346 -3.461 -3.504 -3.498 -3.459 -3.394 -3.309 -3.210 -3.098 -2.976 -2.845 -2.706 -2.557 -2.399 -2.045 -1.967 -1.885 -1.799 -1.709 -1.615 -1.515 -1.410 -1.299 -1.182 -1.059 -0.931 -0.798 -0.660 -0.520 -0.379 -0.236 -0.095 99999.999 99999.999 99999.999 -3.134 -3.372 -3.486 -3.527 -3.521 -3.480 -3.414 -3.329 -3.229 -3.117 -2.995 -2.864 -2.724 -2.577 -2.420 -2.074 -1.997 -1.918 -1.836 -1.750 -1.660 -1.566 -1.468 -1.364 -1.256 -1.143 -1.025 -0.903 -0.777 -0.648 -0.516 -0.384 -0.251 -0.119 99999.999 99999.999 -3.160 -3.397 -3.510 -3.550 -3.543 -3.501 -3.434 -3.348 -3.247 -3.135 -3.013 -2.882 -2.743 -2.596 -2.441 -2.100 -2.026 -1.949 -1.869 -1.787 -1.701 -1.612 -1.518 -1.421 -1.320 -1.215 -1.105 -0.992 -0.875 -0.755 -0.632 -0.509 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-2.289 -2.231 -2.173 -2.115 -2.058 -2.000 99999.999 -5.402 -5.391 -5.317 -5.207 -5.076 -4.930 -4.776 -4.616 -4.453 -4.289 -4.124 -3.960 -3.797 -3.635 -3.315 -3.252 -3.190 -3.127 -3.065 -3.004 -2.942 -2.881 -2.820 -2.759 -2.699 -2.639 -2.580 -2.520 -2.461 -2.402 -2.344 -2.286 -2.228 -2.170 -2.113 NH3,gas AMMONIA Ssln ID, Coef: 6 1.000 GAS P-T:All Wt.(g/mol) = 17.030 Ref: Shock07 2 -1.000 1 1.000 32 B,C 12.442 11.038 9.860 8.861 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.442 11.038 9.860 8.861 8.003 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.442 11.037 9.860 8.861 8.002 7.257 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.441 11.036 9.859 8.860 8.002 7.257 6.604 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.440 11.035 9.858 8.859 8.000 7.256 6.604 6.028 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.438 11.033 9.856 8.857 7.999 7.254 6.602 6.026 5.514 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.434 11.030 9.853 8.854 7.996 7.252 6.600 6.024 5.512 5.053 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.430 11.025 9.849 8.850 7.992 7.248 6.597 6.021 5.509 5.050 4.635 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.423 11.019 9.843 8.845 7.987 7.243 6.592 6.017 5.505 5.047 4.632 4.254 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.414 11.011 9.835 8.837 7.980 7.237 6.586 6.011 5.500 5.042 4.628 4.251 3.903 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.403 11.000 9.825 8.828 7.971 7.229 6.578 6.004 5.493 5.036 4.622 4.246 3.900 3.577 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.388 10.985 9.811 8.815 7.960 7.218 6.568 5.995 5.485 5.028 4.615 4.240 3.895 3.575 3.269 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.376 10.974 9.801 8.805 7.951 7.209 6.560 5.988 5.478 5.022 4.610 4.235 3.892 3.573 3.269 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.359 10.958 9.786 8.792 7.938 7.197 6.549 5.977 5.468 5.013 4.602 4.228 3.886 3.570 3.269 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.342 10.942 9.771 8.778 7.925 7.185 6.538 5.967 5.459 5.004 4.594 4.221 3.881 3.566 3.269 2.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.324 10.926 9.756 8.764 7.912 7.173 6.527 5.956 5.449 4.995 4.585 4.214 3.875 3.562 3.268 2.789 2.700 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.307 10.910 9.741 8.750 7.899 7.161 6.515 5.946 5.439 4.986 4.577 4.207 3.869 3.557 3.266 2.783 2.692 2.604 2.510 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.289 10.893 9.726 8.736 7.886 7.149 6.504 5.935 5.429 4.977 4.569 4.200 3.862 3.553 3.264 2.777 2.687 2.598 2.512 2.423 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.272 10.877 9.711 8.722 7.873 7.137 6.493 5.924 5.419 4.968 4.561 4.192 3.856 3.548 3.262 2.773 2.682 2.594 2.508 2.423 2.338 2.249 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.254 10.861 9.696 8.708 7.860 7.125 6.481 5.914 5.410 4.959 4.552 4.185 3.850 3.543 3.258 2.768 2.678 2.590 2.504 2.420 2.337 2.255 2.171 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.237 10.844 9.681 8.694 7.847 7.112 6.470 5.903 5.400 4.949 4.544 4.177 3.843 3.537 3.255 2.764 2.673 2.585 2.500 2.417 2.335 2.255 2.175 2.095 2.015 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.219 10.828 9.665 8.680 7.834 7.100 6.459 5.893 5.390 4.940 4.536 4.169 3.836 3.531 3.250 2.759 2.669 2.581 2.496 2.413 2.332 2.253 2.175 2.098 2.021 1.944 1.868 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.201 10.812 9.650 8.666 7.821 7.088 6.447 5.882 5.380 4.931 4.527 4.162 3.829 3.525 3.246 2.755 2.665 2.577 2.492 2.409 2.329 2.250 2.173 2.097 2.023 1.949 1.876 1.803 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.183 10.795 9.635 8.652 7.808 7.076 6.436 5.872 5.370 4.922 4.519 4.154 3.822 3.519 3.241 2.750 2.660 2.573 2.488 2.406 2.325 2.247 2.171 2.096 2.022 1.950 1.879 1.809 1.739 1.671 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.165 10.779 9.620 8.638 7.795 7.064 6.425 5.861 5.361 4.913 4.510 4.146 3.815 3.513 3.235 2.745 2.656 2.569 2.484 2.402 2.322 2.244 2.168 2.094 2.021 1.950 1.880 1.811 1.744 1.677 1.612 99999.999 99999.999 99999.999 99999.999 99999.999 12.147 10.762 9.605 8.624 7.782 7.052 6.414 5.851 5.351 4.904 4.502 4.138 3.808 3.506 3.230 2.740 2.651 2.564 2.480 2.398 2.318 2.241 2.165 2.091 2.019 1.948 1.879 1.812 1.745 1.680 1.616 1.554 1.492 99999.999 99999.999 99999.999 12.129 10.746 9.590 8.609 7.769 7.040 6.402 5.840 5.341 4.895 4.493 4.130 3.800 3.499 3.224 2.735 2.646 2.560 2.476 2.394 2.315 2.237 2.162 2.088 2.017 1.946 1.878 1.811 1.745 1.681 1.618 1.557 1.497 1.438 99999.999 99999.999 12.110 10.729 9.574 8.595 7.756 7.028 6.391 5.830 5.331 4.885 4.485 4.122 3.793 3.493 3.217 2.730 2.641 2.555 2.471 2.390 2.311 2.234 2.159 2.085 2.014 1.944 1.876 1.810 1.745 1.681 1.619 1.558 1.499 1.441 1.384 1.329 12.092 10.712 9.559 8.581 7.743 7.016 6.380 5.819 5.321 4.876 4.476 4.114 3.786 3.486 3.211 2.725 2.636 2.550 2.467 2.386 2.307 2.230 2.155 2.082 2.011 1.942 1.874 1.808 1.743 1.680 1.619 1.558 1.500 1.442 1.386 1.332 11.905 10.545 9.406 8.441 7.612 6.894 6.267 5.713 5.223 4.784 4.390 4.034 3.711 3.416 3.147 2.671 2.584 2.500 2.419 2.340 2.263 2.188 2.115 2.045 1.976 1.909 1.843 1.779 1.717 1.657 1.597 1.540 1.483 1.428 1.375 1.322 11.714 10.375 9.252 8.300 7.482 6.773 6.154 5.608 5.124 4.691 4.303 3.952 3.635 3.345 3.080 2.613 2.528 2.446 2.366 2.289 2.213 2.140 2.069 2.000 1.933 1.868 1.804 1.742 1.681 1.622 1.565 1.509 1.454 1.400 1.348 1.297 11.518 10.203 9.098 8.158 7.351 6.652 6.041 5.502 5.025 4.598 4.216 3.870 3.557 3.272 3.012 2.553 2.469 2.389 2.311 2.235 2.161 2.089 2.020 1.952 1.886 1.822 1.760 1.700 1.640 1.583 1.527 1.472 1.418 1.366 1.315 1.265 11.318 10.030 8.942 8.016 7.221 6.531 5.928 5.397 4.926 4.505 4.128 3.788 3.480 3.199 2.943 2.491 2.409 2.330 2.253 2.179 2.107 2.036 1.968 1.902 1.837 1.775 1.714 1.654 1.596 1.540 1.485 1.432 1.379 1.328 1.278 1.230 11.116 9.856 8.786 7.874 7.090 6.410 5.815 5.291 4.827 4.412 4.040 3.705 3.401 3.125 2.873 2.429 2.348 2.270 2.195 2.122 2.051 1.982 1.915 1.850 1.786 1.725 1.665 1.607 1.550 1.495 1.441 1.389 1.337 1.288 1.239 1.191 10.912 9.681 8.630 7.732 6.960 6.289 5.703 5.186 4.728 4.319 3.953 3.622 3.323 3.051 2.802 2.366 2.286 2.210 2.136 2.064 1.994 1.926 1.860 1.796 1.734 1.674 1.615 1.558 1.502 1.448 1.395 1.344 1.294 1.245 1.197 1.150 10.705 9.504 8.473 7.590 6.829 6.168 5.590 5.081 4.629 4.226 3.865 3.539 3.244 2.976 2.732 2.302 2.224 2.149 2.076 2.005 1.936 1.870 1.805 1.742 1.681 1.622 1.564 1.508 1.453 1.400 1.348 1.298 1.249 1.201 1.154 1.108 99999.999 9.328 8.316 7.448 6.699 6.048 5.478 4.976 4.530 4.133 3.777 3.456 3.166 2.902 2.661 2.237 2.161 2.087 2.015 1.945 1.878 1.812 1.749 1.687 1.627 1.569 1.512 1.457 1.403 1.351 1.300 1.251 1.202 1.155 1.109 1.064 NH3,gas! AMMONIA Ssln ID, Coef: 6 1.000 GAS P-T:All Wt.(g/mol) = 17.030 Ref: Shock07 1 1.000 48 B,C 2.373 1.797 1.323 0.930 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.373 1.797 1.323 0.930 0.601 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.373 1.796 1.322 0.929 0.601 0.324 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.372 1.795 1.321 0.928 0.600 0.324 0.089 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.370 1.793 1.319 0.927 0.599 0.322 0.088 -0.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.367 1.790 1.317 0.924 0.596 0.320 0.085 -0.114 -0.285 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.362 1.786 1.313 0.921 0.593 0.317 0.082 -0.117 -0.288 -0.435 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.356 1.780 1.307 0.915 0.588 0.312 0.078 -0.122 -0.292 -0.439 -0.564 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.347 1.772 1.299 0.908 0.581 0.305 0.072 -0.128 -0.298 -0.444 -0.570 -0.677 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.335 1.760 1.289 0.898 0.571 0.296 0.063 -0.136 -0.306 -0.452 -0.577 -0.684 -0.773 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.319 1.745 1.275 0.885 0.559 0.285 0.052 -0.146 -0.316 -0.461 -0.586 -0.693 -0.783 -0.855 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.299 1.726 1.257 0.868 0.543 0.270 0.038 -0.159 -0.328 -0.473 -0.598 -0.705 -0.795 -0.869 -0.917 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.283 1.711 1.243 0.855 0.531 0.258 0.027 -0.170 -0.338 -0.483 -0.607 -0.714 -0.804 -0.878 -0.933 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.260 1.690 1.223 0.836 0.513 0.242 0.012 -0.185 -0.353 -0.497 -0.620 -0.727 -0.817 -0.892 -0.951 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.237 1.668 1.202 0.817 0.496 0.225 -0.004 -0.200 -0.367 -0.510 -0.634 -0.739 -0.830 -0.906 -0.966 -0.943 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.213 1.646 1.182 0.799 0.478 0.209 -0.020 -0.214 -0.381 -0.524 -0.647 -0.752 -0.842 -0.918 -0.980 -1.035 -1.012 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.190 1.625 1.162 0.780 0.461 0.192 -0.035 -0.229 -0.395 -0.537 -0.660 -0.765 -0.855 -0.931 -0.994 -1.068 -1.067 -1.055 -1.028 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.167 1.603 1.142 0.761 0.443 0.176 -0.051 -0.244 -0.409 -0.551 -0.673 -0.778 -0.867 -0.944 -1.007 -1.090 -1.097 -1.097 -1.090 -1.074 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.143 1.581 1.122 0.742 0.426 0.159 -0.067 -0.259 -0.423 -0.564 -0.686 -0.790 -0.880 -0.956 -1.020 -1.108 -1.118 -1.124 -1.125 -1.121 -1.112 -1.097 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.120 1.560 1.102 0.724 0.408 0.143 -0.082 -0.274 -0.437 -0.578 -0.699 -0.803 -0.892 -0.968 -1.032 -1.124 -1.136 -1.145 -1.150 -1.152 -1.150 -1.144 -1.134 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.096 1.538 1.082 0.705 0.391 0.126 -0.098 -0.288 -0.451 -0.591 -0.712 -0.815 -0.904 -0.980 -1.044 -1.138 -1.151 -1.162 -1.170 -1.176 -1.178 -1.177 -1.173 -1.166 -1.156 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.073 1.516 1.062 0.686 0.373 0.110 -0.113 -0.303 -0.465 -0.605 -0.724 -0.828 -0.916 -0.992 -1.056 -1.152 -1.166 -1.178 -1.187 -1.195 -1.200 -1.202 -1.202 -1.200 -1.195 -1.188 -1.180 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.049 1.494 1.041 0.667 0.355 0.093 -0.129 -0.318 -0.479 -0.618 -0.737 -0.840 -0.928 -1.004 -1.068 -1.165 -1.179 -1.192 -1.203 -1.212 -1.219 -1.223 -1.226 -1.226 -1.225 -1.221 -1.216 -1.210 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.025 1.473 1.021 0.649 0.338 0.077 -0.144 -0.332 -0.493 -0.631 -0.750 -0.852 -0.940 -1.016 -1.080 -1.177 -1.192 -1.206 -1.217 -1.227 -1.235 -1.241 -1.246 -1.248 -1.249 -1.248 -1.246 -1.242 -1.237 -1.232 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.001 1.451 1.001 0.630 0.321 0.060 -0.160 -0.347 -0.507 -0.645 -0.763 -0.865 -0.952 -1.027 -1.091 -1.190 -1.205 -1.218 -1.231 -1.241 -1.250 -1.258 -1.263 -1.267 -1.270 -1.271 -1.270 -1.269 -1.266 -1.262 -1.258 99999.999 99999.999 99999.999 99999.999 99999.999 1.978 1.429 0.981 0.611 0.303 0.044 -0.175 -0.362 -0.521 -0.658 -0.775 -0.877 -0.964 -1.039 -1.103 -1.201 -1.217 -1.231 -1.243 -1.255 -1.264 -1.272 -1.279 -1.284 -1.288 -1.291 -1.292 -1.292 -1.290 -1.288 -1.285 -1.282 -1.278 99999.999 99999.999 99999.999 1.954 1.407 0.961 0.593 0.286 0.028 -0.191 -0.376 -0.535 -0.671 -0.788 -0.889 -0.976 -1.050 -1.114 -1.213 -1.229 -1.243 -1.256 -1.267 -1.277 -1.286 -1.294 -1.300 -1.305 -1.308 -1.311 -1.312 -1.312 -1.311 -1.309 -1.307 -1.304 -1.301 99999.999 99999.999 1.930 1.385 0.941 0.574 0.268 0.011 -0.206 -0.391 -0.549 -0.684 -0.801 -0.901 -0.988 -1.062 -1.125 -1.224 -1.240 -1.255 -1.268 -1.280 -1.290 -1.299 -1.308 -1.314 -1.320 -1.324 -1.328 -1.330 -1.331 -1.331 -1.331 -1.329 -1.327 -1.325 -1.322 -1.319 1.906 1.363 0.921 0.555 0.251 -0.005 -0.221 -0.405 -0.563 -0.697 -0.814 -0.913 -0.999 -1.073 -1.137 -1.236 -1.251 -1.266 -1.279 -1.291 -1.302 -1.312 -1.321 -1.328 -1.334 -1.339 -1.343 -1.346 -1.348 -1.349 -1.350 -1.349 -1.348 -1.347 -1.344 -1.342 1.662 1.144 0.719 0.369 0.077 -0.168 -0.374 -0.550 -0.700 -0.828 -0.939 -1.034 -1.115 -1.186 -1.246 -1.342 -1.358 -1.373 -1.386 -1.399 -1.411 -1.421 -1.431 -1.441 -1.449 -1.457 -1.464 -1.470 -1.475 -1.480 -1.484 -1.488 -1.491 -1.494 -1.496 -1.497 1.415 0.922 0.517 0.183 -0.096 -0.329 -0.526 -0.694 -0.836 -0.958 -1.062 -1.152 -1.229 -1.295 -1.352 -1.443 -1.458 -1.472 -1.485 -1.497 -1.508 -1.519 -1.529 -1.538 -1.546 -1.554 -1.561 -1.567 -1.573 -1.578 -1.583 -1.588 -1.591 -1.595 -1.598 -1.600 1.164 0.700 0.316 -0.003 -0.268 -0.490 -0.677 -0.836 -0.971 -1.086 -1.184 -1.269 -1.341 -1.403 -1.457 -1.541 -1.555 -1.568 -1.580 -1.591 -1.602 -1.611 -1.620 -1.629 -1.637 -1.644 -1.650 -1.657 -1.662 -1.667 -1.672 -1.676 -1.679 -1.683 -1.686 -1.688 0.911 0.477 0.114 -0.188 -0.440 -0.650 -0.828 -0.977 -1.105 -1.213 -1.306 -1.385 -1.452 -1.510 -1.559 -1.637 -1.650 -1.661 -1.673 -1.683 -1.692 -1.701 -1.709 -1.717 -1.724 -1.731 -1.736 -1.742 -1.747 -1.751 -1.755 -1.759 -1.762 -1.765 -1.767 -1.770 0.655 0.253 -0.088 -0.373 -0.611 -0.810 -0.977 -1.118 -1.238 -1.339 -1.426 -1.499 -1.562 -1.616 -1.661 -1.732 -1.743 -1.754 -1.764 -1.773 -1.782 -1.789 -1.797 -1.803 -1.810 -1.815 -1.820 -1.825 -1.829 -1.833 -1.836 -1.839 -1.842 -1.844 -1.846 -1.847 0.397 0.029 -0.290 -0.558 -0.782 -0.969 -1.126 -1.259 -1.370 -1.465 -1.546 -1.614 -1.671 -1.720 -1.762 -1.826 -1.836 -1.845 -1.854 -1.862 -1.870 -1.876 -1.883 -1.888 -1.894 -1.898 -1.903 -1.906 -1.910 -1.913 -1.915 -1.918 -1.919 -1.921 -1.922 -1.923 0.138 -0.196 -0.492 -0.742 -0.952 -1.128 -1.275 -1.398 -1.502 -1.590 -1.665 -1.727 -1.780 -1.825 -1.862 -1.919 -1.928 -1.936 -1.943 -1.950 -1.957 -1.962 -1.968 -1.972 -1.977 -1.980 -1.984 -1.987 -1.989 -1.991 -1.993 -1.995 -1.996 -1.997 -1.997 -1.997 99999.999 -0.421 -0.694 -0.927 -1.122 -1.286 -1.423 -1.538 -1.634 -1.715 -1.783 -1.840 -1.888 -1.928 -1.961 -2.011 -2.019 -2.026 -2.032 -2.038 -2.043 -2.048 -2.052 -2.056 -2.059 -2.062 -2.064 -2.066 -2.068 -2.069 -2.070 -2.071 -2.071 -2.071 -2.071 -2.071 N2,gas NITROGEN Ssln ID, Coef: 6 1.000 GAS P-T:All Wt.(g/mol) = 28.010 Ref: Shock07 5 -1.250 1 -3.000 2 -0.750 6 2.000 32 0.750 4 B,C 3.783 2.572 1.462 0.450 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.783 2.572 1.462 0.450 -0.478 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.784 2.573 1.463 0.450 -0.477 -1.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.785 2.574 1.464 0.451 -0.476 -1.333 -2.132 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.787 2.576 1.465 0.453 -0.475 -1.332 -2.130 -2.882 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.790 2.578 1.468 0.455 -0.473 -1.329 -2.128 -2.879 -3.595 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.796 2.582 1.471 0.458 -0.469 -1.326 -2.124 -2.875 -3.590 -4.280 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.803 2.588 1.476 0.463 -0.464 -1.321 -2.118 -2.869 -3.583 -4.272 -4.949 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.813 2.596 1.483 0.470 -0.458 -1.314 -2.111 -2.861 -3.574 -4.261 -4.936 -5.614 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.826 2.606 1.493 0.479 -0.449 -1.304 -2.101 -2.850 -3.562 -4.247 -4.918 -5.591 -6.292 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.843 2.620 1.505 0.491 -0.437 -1.293 -2.089 -2.837 -3.547 -4.229 -4.896 -5.562 -6.250 -7.005 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.865 2.637 1.520 0.505 -0.422 -1.277 -2.072 -2.819 -3.527 -4.206 -4.868 -5.526 -6.199 -6.924 -7.824 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.881 2.651 1.532 0.517 -0.411 -1.266 -2.060 -2.805 -3.512 -4.189 -4.847 -5.499 -6.162 -6.867 -7.707 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.904 2.669 1.549 0.533 -0.395 -1.249 -2.043 -2.786 -3.490 -4.164 -4.817 -5.462 -6.112 -6.793 -7.574 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.927 2.688 1.566 0.549 -0.379 -1.233 -2.025 -2.768 -3.470 -4.140 -4.789 -5.426 -6.065 -6.726 -7.463 -9.397 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.950 2.706 1.582 0.564 -0.364 -1.217 -2.008 -2.749 -3.449 -4.117 -4.762 -5.393 -6.021 -6.664 -7.366 -8.754 -9.290 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.972 2.724 1.598 0.580 -0.348 -1.201 -1.992 -2.731 -3.429 -4.095 -4.735 -5.360 -5.980 -6.608 -7.279 -8.547 -8.909 -9.360 -9.969 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.993 2.741 1.614 0.595 -0.333 -1.186 -1.975 -2.714 -3.410 -4.073 -4.710 -5.329 -5.940 -6.555 -7.202 -8.413 -8.720 -9.064 -9.468 -9.963 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.014 2.758 1.630 0.610 -0.318 -1.170 -1.959 -2.696 -3.391 -4.051 -4.685 -5.300 -5.903 -6.506 -7.131 -8.309 -8.587 -8.887 -9.216 -9.589 -10.021 -10.523 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.035 2.775 1.645 0.625 -0.304 -1.155 -1.943 -2.679 -3.372 -4.030 -4.661 -5.271 -5.868 -6.461 -7.067 -8.222 -8.483 -8.757 -9.049 -9.366 -9.715 -10.104 -10.540 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.055 2.792 1.660 0.639 -0.289 -1.140 -1.928 -2.662 -3.354 -4.010 -4.637 -5.243 -5.834 -6.418 -7.009 -8.145 -8.394 -8.652 -8.921 -9.206 -9.511 -9.841 -10.200 -10.590 -11.010 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.075 2.808 1.675 0.653 -0.275 -1.126 -1.912 -2.646 -3.336 -3.989 -4.614 -5.217 -5.802 -6.378 -6.956 -8.077 -8.317 -8.562 -8.816 -9.081 -9.359 -9.653 -9.966 -10.300 -10.656 -11.033 -11.427 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.094 2.824 1.690 0.668 -0.261 -1.111 -1.897 -2.630 -3.318 -3.970 -4.592 -5.191 -5.772 -6.341 -6.907 -8.015 -8.247 -8.484 -8.726 -8.976 -9.236 -9.506 -9.790 -10.088 -10.402 -10.732 -11.076 -11.431 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.113 2.840 1.704 0.681 -0.247 -1.097 -1.882 -2.614 -3.300 -3.950 -4.571 -5.166 -5.743 -6.306 -6.863 -7.958 -8.184 -8.413 -8.647 -8.886 -9.132 -9.386 -9.649 -9.923 -10.208 -10.505 -10.813 -11.130 -11.455 -11.784 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.132 2.856 1.718 0.695 -0.233 -1.083 -1.867 -2.598 -3.283 -3.932 -4.549 -5.142 -5.715 -6.273 -6.822 -7.904 -8.125 -8.348 -8.575 -8.805 -9.041 -9.283 -9.531 -9.787 -10.051 -10.324 -10.606 -10.895 -11.191 -11.492 -11.794 99999.999 99999.999 99999.999 99999.999 99999.999 4.150 2.871 1.732 0.709 -0.220 -1.069 -1.853 -2.582 -3.266 -3.913 -4.529 -5.119 -5.688 -6.242 -6.784 -7.854 -8.070 -8.288 -8.509 -8.733 -8.960 -9.192 -9.429 -9.671 -9.920 -10.176 -10.438 -10.706 -10.979 -11.257 -11.537 -11.817 -12.096 99999.999 99999.999 99999.999 4.168 2.886 1.746 0.722 -0.206 -1.055 -1.838 -2.567 -3.250 -3.895 -4.508 -5.096 -5.662 -6.212 -6.749 -7.807 -8.019 -8.233 -8.448 -8.666 -8.886 -9.110 -9.338 -9.570 -9.807 -10.049 -10.296 -10.548 -10.804 -11.063 -11.325 -11.587 -11.849 -12.109 99999.999 99999.999 4.185 2.901 1.760 0.735 -0.193 -1.042 -1.824 -2.552 -3.233 -3.877 -4.489 -5.074 -5.637 -6.183 -6.716 -7.762 -7.971 -8.180 -8.391 -8.604 -8.819 -9.036 -9.257 -9.480 -9.708 -9.939 -10.174 -10.413 -10.655 -10.899 -11.146 -11.394 -11.642 -11.888 -12.131 -12.371 4.202 2.915 1.773 0.748 -0.180 -1.028 -1.810 -2.537 -3.217 -3.859 -4.469 -5.052 -5.613 -6.156 -6.684 -7.719 -7.925 -8.131 -8.338 -8.547 -8.756 -8.968 -9.182 -9.399 -9.618 -9.841 -10.066 -10.294 -10.525 -10.758 -10.993 -11.228 -11.464 -11.699 -11.931 -12.161 4.357 3.049 1.898 0.870 -0.058 -0.904 -1.680 -2.399 -3.069 -3.698 -4.293 -4.857 -5.397 -5.914 -6.413 -7.369 -7.555 -7.740 -7.923 -8.106 -8.287 -8.468 -8.648 -8.828 -9.008 -9.187 -9.366 -9.545 -9.723 -9.902 -10.080 -10.257 -10.435 -10.611 -10.787 -10.962 4.485 3.163 2.006 0.977 0.050 -0.793 -1.564 -2.277 -2.939 -3.558 -4.141 -4.692 -5.216 -5.717 -6.196 -7.105 -7.280 -7.452 -7.623 -7.793 -7.961 -8.127 -8.292 -8.456 -8.619 -8.780 -8.941 -9.100 -9.259 -9.417 -9.574 -9.730 -9.885 -10.039 -10.193 -10.345 4.591 3.261 2.102 1.072 0.147 -0.693 -1.461 -2.168 -2.823 -3.435 -4.008 -4.549 -5.061 -5.548 -6.014 -6.889 -7.056 -7.221 -7.384 -7.545 -7.704 -7.861 -8.017 -8.171 -8.323 -8.474 -8.624 -8.772 -8.920 -9.066 -9.210 -9.354 -9.497 -9.638 -9.779 -9.919 4.679 3.346 2.186 1.157 0.234 -0.603 -1.367 -2.069 -2.719 -3.324 -3.890 -4.422 -4.925 -5.401 -5.855 -6.705 -6.867 -7.026 -7.183 -7.338 -7.491 -7.641 -7.790 -7.937 -8.083 -8.227 -8.369 -8.510 -8.649 -8.787 -8.924 -9.059 -9.194 -9.327 -9.459 -9.590 4.752 3.419 2.261 1.233 0.313 -0.521 -1.281 -1.979 -2.624 -3.224 -3.783 -4.308 -4.803 -5.271 -5.716 -6.545 -6.702 -6.857 -7.009 -7.160 -7.308 -7.453 -7.597 -7.739 -7.879 -8.018 -8.154 -8.290 -8.423 -8.556 -8.686 -8.816 -8.944 -9.071 -9.197 -9.322 4.812 3.482 2.326 1.302 0.384 -0.447 -1.203 -1.897 -2.538 -3.132 -3.686 -4.205 -4.693 -5.154 -5.591 -6.403 -6.557 -6.708 -6.857 -7.003 -7.147 -7.289 -7.429 -7.567 -7.703 -7.837 -7.969 -8.100 -8.229 -8.357 -8.483 -8.608 -8.732 -8.854 -8.975 -9.095 4.861 3.537 2.384 1.363 0.448 -0.379 -1.132 -1.822 -2.459 -3.048 -3.598 -4.111 -4.593 -5.048 -5.478 -6.276 -6.427 -6.575 -6.721 -6.864 -7.005 -7.144 -7.280 -7.415 -7.547 -7.678 -7.807 -7.934 -8.060 -8.184 -8.307 -8.428 -8.548 -8.666 -8.783 -8.900 99999.999 3.584 2.435 1.418 0.507 -0.317 -1.066 -1.753 -2.386 -2.971 -3.516 -4.025 -4.502 -4.952 -5.376 -6.162 -6.310 -6.455 -6.598 -6.739 -6.877 -7.013 -7.147 -7.278 -7.408 -7.536 -7.662 -7.787 -7.909 -8.030 -8.150 -8.268 -8.385 -8.501 -8.615 -8.728 N2,gas NITROGEN Ssln ID, Coef: 6 1.000 GAS P-T:All Wt.(g/mol) = 28.010 Ref: Shock07 4 -2.000 1 -3.000 2 2.000 32 1.500 31 B,C -110.291 -101.165 -93.367 -86.635 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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NITROGEN Ssln ID, Coef: 6 1.000 GAS P-T:All Wt.(g/mol) = 28.010 Ref: Shock07 1 1.000 47 B,C -2.973 -3.186 -3.295 -3.338 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.973 -3.186 -3.295 -3.338 -3.333 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.974 -3.187 -3.296 -3.338 -3.334 -3.296 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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GAS P-T:All Wt.(g/mol) = 64.060 Ref: Shock07 4 -1.000 2 0.250 6 1.750 1 0.750 4 B,C 4.731 3.150 1.693 0.359 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.731 3.150 1.693 0.359 -0.870 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.731 3.150 1.693 0.359 -0.870 -2.014 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.734 3.151 1.694 0.360 -0.869 -2.011 -3.084 -4.103 -5.082 -6.039 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.736 3.152 1.695 0.361 -0.868 -2.009 -3.081 -4.099 -5.077 -6.032 -6.986 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.739 3.153 1.696 0.362 -0.866 -2.007 -3.078 -4.095 -5.071 -6.023 -6.972 -7.948 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.743 3.154 1.696 0.363 -0.865 -2.005 -3.074 -4.088 -5.062 -6.010 -6.953 -7.919 -8.952 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.747 3.156 1.697 0.364 -0.862 -2.001 -3.069 -4.081 -5.051 -5.995 -6.930 -7.883 -8.893 -10.044 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.753 3.158 1.699 0.366 -0.860 -1.997 -3.062 -4.071 -5.037 -5.975 -6.902 -7.840 -8.823 -9.917 -11.367 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.757 3.159 1.699 0.367 -0.858 -1.994 -3.058 -4.064 -5.027 -5.961 -6.881 -7.808 -8.773 -9.830 -11.160 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.763 3.161 1.700 0.368 -0.856 -1.990 -3.051 -4.054 -5.013 -5.941 -6.852 -7.766 -8.707 -9.720 -10.936 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.769 3.163 1.701 0.369 -0.853 -1.986 -3.045 -4.045 -5.000 -5.922 -6.825 -7.726 -8.646 -9.622 -10.755 -14.052 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.774 3.164 1.702 0.370 -0.851 -1.982 -3.039 -4.036 -4.987 -5.904 -6.800 -7.689 -8.590 -9.534 -10.601 -12.781 -13.739 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.779 3.165 1.702 0.371 -0.850 -1.979 -3.033 -4.028 -4.975 -5.887 -6.776 -7.655 -8.539 -9.455 -10.466 -12.402 -13.007 -13.792 -14.885 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.783 3.166 1.702 0.371 -0.848 -1.975 -3.028 -4.020 -4.963 -5.871 -6.753 -7.622 -8.492 -9.384 -10.348 -12.171 -12.666 -13.237 -13.928 -14.796 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.788 3.167 1.702 0.372 -0.847 -1.972 -3.023 -4.012 -4.952 -5.856 -6.732 -7.592 -8.448 -9.319 -10.243 -12.000 -12.439 -12.922 -13.465 -14.094 -14.837 -15.713 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.792 3.167 1.702 0.372 -0.845 -1.970 -3.018 -4.005 -4.942 -5.841 -6.711 -7.564 -8.408 -9.260 -10.151 -11.862 -12.268 -12.701 -13.170 -13.689 -14.272 -14.934 -15.682 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.795 3.168 1.702 0.372 -0.844 -1.967 -3.014 -3.998 -4.932 -5.827 -6.692 -7.537 -8.371 -9.206 -10.068 -11.746 -12.128 -12.529 -12.954 -13.411 -13.908 -14.454 -15.056 -15.719 -16.437 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.799 3.168 1.701 0.372 -0.844 -1.965 -3.009 -3.991 -4.922 -5.813 -6.674 -7.512 -8.336 -9.158 -9.995 -11.646 -12.010 -12.388 -12.783 -13.201 -13.645 -14.122 -14.636 -15.192 -15.791 -16.428 -17.095 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.802 3.168 1.700 0.371 -0.843 -1.963 -3.006 -3.985 -4.913 -5.801 -6.656 -7.488 -8.304 -9.113 -9.931 -11.556 -11.906 -12.267 -12.640 -13.030 -13.439 -13.871 -14.329 -14.817 -15.335 -15.883 -16.458 -17.054 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.805 3.168 1.699 0.371 -0.842 -1.961 -3.002 -3.979 -4.904 -5.788 -6.640 -7.466 -8.274 -9.073 -9.873 -11.476 -11.814 -12.161 -12.518 -12.887 -13.270 -13.670 -14.090 -14.530 -14.994 -15.480 -15.988 -16.514 -17.054 -17.601 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.808 3.167 1.698 0.370 -0.842 -1.959 -2.998 -3.973 -4.896 -5.777 -6.624 -7.445 -8.246 -9.036 -9.822 -11.402 -11.731 -12.067 -12.410 -12.763 -13.127 -13.503 -13.894 -14.301 -14.725 -15.167 -15.625 -16.099 -16.585 -17.080 -17.579 99999.999 99999.999 99999.999 99999.999 99999.999 4.810 3.167 1.697 0.370 -0.842 -1.958 -2.995 -3.968 -4.888 -5.765 -6.609 -7.425 -8.220 -9.002 -9.777 -11.334 -11.655 -11.981 -12.314 -12.653 -13.002 -13.360 -13.729 -14.111 -14.506 -14.914 -15.335 -15.769 -16.214 -16.667 -17.124 -17.583 -18.039 99999.999 99999.999 99999.999 4.812 3.166 1.696 0.369 -0.842 -1.957 -2.992 -3.963 -4.880 -5.755 -6.594 -7.406 -8.196 -8.970 -9.736 -11.272 -11.586 -11.904 -12.226 -12.555 -12.891 -13.234 -13.587 -13.948 -14.320 -14.703 -15.096 -15.500 -15.912 -16.331 -16.755 -17.181 -17.606 -18.027 99999.999 99999.999 4.814 3.165 1.694 0.368 -0.842 -1.956 -2.989 -3.958 -4.873 -5.744 -6.580 -7.388 -8.173 -8.941 -9.699 -11.213 -11.521 -11.832 -12.147 -12.466 -12.791 -13.122 -13.461 -13.807 -14.161 -14.523 -14.894 -15.273 -15.659 -16.052 -16.449 -16.848 -17.247 -17.644 -18.036 -18.420 4.816 3.164 1.693 0.366 -0.843 -1.955 -2.987 -3.953 -4.866 -5.735 -6.567 -7.370 -8.151 -8.913 -9.664 -11.158 -11.461 -11.765 -12.073 -12.385 -12.701 -13.022 -13.348 -13.681 -14.020 -14.366 -14.719 -15.079 -15.444 -15.815 -16.189 -16.566 -16.943 -17.319 -17.692 -18.059 4.822 3.145 1.670 0.347 -0.853 -1.953 -2.971 -3.920 -4.811 -5.655 -6.459 -7.229 -7.971 -8.690 -9.388 -10.745 -11.012 -11.278 -11.543 -11.808 -12.074 -12.339 -12.604 -12.870 -13.137 -13.404 -13.672 -13.941 -14.210 -14.480 -14.751 -15.022 -15.293 -15.564 -15.835 -16.104 4.811 3.112 1.635 0.317 -0.875 -1.965 -2.970 -3.904 -4.778 -5.602 -6.384 -7.129 -7.844 -8.531 -9.196 -10.469 -10.717 -10.963 -11.207 -11.449 -11.690 -11.930 -12.168 -12.406 -12.643 -12.879 -13.114 -13.349 -13.583 -13.816 -14.049 -14.282 -14.514 -14.745 -14.976 -15.206 4.785 3.069 1.591 0.278 -0.907 -1.986 -2.980 -3.901 -4.761 -5.569 -6.333 -7.058 -7.751 -8.415 -9.053 -10.268 -10.503 -10.735 -10.965 -11.192 -11.418 -11.642 -11.864 -12.085 -12.304 -12.521 -12.738 -12.953 -13.167 -13.380 -13.592 -13.803 -14.013 -14.222 -14.430 -14.638 4.747 3.017 1.539 0.231 -0.946 -2.016 -2.999 -3.909 -4.757 -5.551 -6.299 -7.008 -7.682 -8.327 -8.945 -10.115 -10.339 -10.561 -10.781 -10.998 -11.213 -11.425 -11.636 -11.844 -12.051 -12.256 -12.460 -12.662 -12.862 -13.061 -13.259 -13.456 -13.651 -13.846 -14.039 -14.232 4.700 2.957 1.480 0.177 -0.991 -2.053 -3.026 -3.926 -4.762 -5.544 -6.279 -6.973 -7.633 -8.261 -8.862 -9.995 -10.212 -10.426 -10.637 -10.846 -11.052 -11.256 -11.457 -11.657 -11.854 -12.050 -12.244 -12.436 -12.627 -12.816 -13.004 -13.190 -13.375 -13.558 -13.741 -13.922 4.646 2.892 1.415 0.118 -1.042 -2.096 -3.060 -3.949 -4.775 -5.546 -6.269 -6.951 -7.597 -8.212 -8.798 -9.900 -10.111 -10.318 -10.523 -10.724 -10.924 -11.121 -11.315 -11.507 -11.698 -11.886 -12.072 -12.257 -12.440 -12.621 -12.800 -12.979 -13.156 -13.331 -13.505 -13.678 4.585 2.821 1.345 0.055 -1.099 -2.143 -3.099 -3.979 -4.795 -5.556 -6.269 -6.940 -7.574 -8.176 -8.750 -9.825 -10.030 -10.232 -10.431 -10.627 -10.820 -11.011 -11.200 -11.386 -11.571 -11.753 -11.933 -12.111 -12.288 -12.463 -12.636 -12.808 -12.978 -13.147 -13.315 -13.481 99999.999 2.745 1.271 -0.014 -1.159 -2.196 -3.142 -4.014 -4.821 -5.572 -6.275 -6.936 -7.560 -8.152 -8.714 -9.766 -9.966 -10.163 -10.357 -10.548 -10.737 -10.923 -11.106 -11.288 -11.467 -11.644 -11.819 -11.992 -12.163 -12.333 -12.501 -12.667 -12.832 -12.996 -13.158 -13.320 SO2,gas SULFUR-DIOXIDE Ssln ID, Coef: 6 1.000 GAS P-T:All Wt.(g/mol) = 64.060 Ref: Shock07 4 -1.000 2 -0.500 31 2.000 1 1.000 4 B,C 42.755 37.729 33.303 29.388 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.755 37.729 33.303 29.388 25.892 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.756 37.729 33.304 29.388 25.892 22.741 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.757 37.730 33.304 29.389 25.893 22.742 19.873 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.759 37.732 33.306 29.390 25.894 22.743 19.875 17.238 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.762 37.734 33.308 29.392 25.897 22.746 19.878 17.241 14.792 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.767 37.738 33.311 29.395 25.900 22.749 19.882 17.246 14.798 12.497 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.773 37.743 33.316 29.400 25.905 22.755 19.888 17.253 14.807 12.508 10.313 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.782 37.749 33.322 29.406 25.911 22.762 19.896 17.263 14.819 12.523 10.334 8.201 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.794 37.759 33.330 29.414 25.920 22.771 19.907 17.275 14.834 12.543 10.361 8.240 6.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.809 37.770 33.341 29.425 25.931 22.783 19.921 17.292 14.854 12.569 10.395 8.289 6.190 3.977 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.829 37.786 33.354 29.438 25.945 22.799 19.938 17.313 14.879 12.600 10.438 8.349 6.283 4.143 1.600 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.844 37.797 33.365 29.448 25.955 22.810 19.951 17.328 14.899 12.624 10.469 8.394 6.349 4.255 1.875 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.865 37.813 33.380 29.463 25.970 22.827 19.970 17.350 14.925 12.657 10.512 8.454 6.438 4.399 2.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.885 37.829 33.394 29.477 25.985 22.843 19.989 17.372 14.951 12.689 10.554 8.510 6.520 4.526 2.399 -3.383 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.906 37.845 33.408 29.491 26.000 22.859 20.006 17.393 14.976 12.720 10.593 8.563 6.595 4.641 2.596 -1.576 -3.114 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.926 37.861 33.422 29.504 26.014 22.874 20.024 17.413 15.000 12.750 10.631 8.613 6.665 4.745 2.768 -1.040 -2.079 -3.360 -5.044 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.945 37.876 33.435 29.518 26.028 22.889 20.041 17.432 15.023 12.778 10.667 8.660 6.730 4.839 2.919 -0.719 -1.601 -2.583 -3.723 -5.092 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.965 37.891 33.449 29.531 26.041 22.904 20.057 17.452 15.046 12.806 10.701 8.705 6.790 4.925 3.053 -0.484 -1.288 -2.145 -3.080 -4.126 -5.318 -6.672 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.984 37.905 33.462 29.543 26.054 22.918 20.073 17.470 15.068 12.832 10.734 8.748 6.847 5.004 3.173 -0.296 -1.052 -1.840 -2.673 -3.568 -4.543 -5.617 -6.797 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.002 37.920 33.475 29.556 26.067 22.932 20.089 17.489 15.089 12.858 10.766 8.788 6.900 5.077 3.280 -0.138 -0.862 -1.605 -2.377 -3.186 -4.044 -4.963 -5.950 -7.009 -8.133 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.021 37.934 33.487 29.568 26.080 22.946 20.105 17.506 15.110 12.883 10.797 8.826 6.950 5.143 3.376 -0.001 -0.700 -1.413 -2.143 -2.898 -3.684 -4.509 -5.379 -6.298 -7.267 -8.280 -9.325 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.039 37.948 33.500 29.580 26.092 22.960 20.120 17.524 15.131 12.907 10.826 8.863 6.996 5.205 3.461 0.120 -0.560 -1.248 -1.949 -2.666 -3.404 -4.167 -4.961 -5.789 -6.653 -7.551 -8.478 -9.426 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.057 37.961 33.512 29.592 26.105 22.973 20.135 17.541 15.150 12.931 10.855 8.898 7.040 5.261 3.538 0.230 -0.435 -1.105 -1.783 -2.472 -3.175 -3.895 -4.636 -5.401 -6.192 -7.008 -7.847 -8.706 -9.577 -10.453 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.074 37.974 33.524 29.603 26.117 22.986 20.149 17.557 15.170 12.954 10.882 8.931 7.081 5.314 3.607 0.330 -0.322 -0.977 -1.637 -2.304 -2.980 -3.669 -4.372 -5.091 -5.829 -6.586 -7.360 -8.150 -8.952 -9.761 -10.571 99999.999 99999.999 99999.999 99999.999 99999.999 43.091 37.988 33.535 29.615 26.128 22.998 20.163 17.573 15.189 12.976 10.909 8.963 7.121 5.362 3.670 0.422 -0.220 -0.862 -1.507 -2.156 -2.812 -3.475 -4.149 -4.834 -5.533 -6.245 -6.970 -7.708 -8.456 -9.210 -9.966 -10.720 -11.467 99999.999 99999.999 99999.999 43.108 38.000 33.547 29.626 26.140 23.011 20.177 17.589 15.207 12.998 10.934 8.994 7.158 5.408 3.727 0.507 -0.125 -0.757 -1.389 -2.024 -2.662 -3.306 -3.957 -4.615 -5.283 -5.961 -6.649 -7.346 -8.050 -8.760 -9.473 -10.185 -10.892 -11.591 99999.999 99999.999 43.125 38.013 33.558 29.637 26.151 23.023 20.190 17.604 15.225 13.019 10.959 9.024 7.194 5.451 3.780 0.587 -0.037 -0.659 -1.281 -1.904 -2.528 -3.155 -3.787 -4.425 -5.068 -5.719 -6.377 -7.041 -7.712 -8.386 -9.063 -9.740 -10.413 -11.080 -11.738 -12.384 43.141 38.026 33.569 29.648 26.162 23.035 20.204 17.620 15.242 13.039 10.983 9.053 7.228 5.492 3.830 0.662 0.045 -0.569 -1.182 -1.793 -2.406 -3.020 -3.636 -4.256 -4.880 -5.508 -6.142 -6.780 -7.423 -8.069 -8.716 -9.363 -10.008 -10.647 -11.279 -11.902 43.292 38.139 33.670 29.745 26.263 23.143 20.323 17.754 15.398 13.220 11.194 9.300 7.519 5.834 4.234 1.237 0.665 0.100 -0.459 -1.011 -1.558 -2.099 -2.636 -3.168 -3.696 -4.221 -4.742 -5.261 -5.776 -6.288 -6.797 -7.303 -7.806 -8.306 -8.802 -9.293 43.421 38.236 33.754 29.827 26.347 23.233 20.422 17.866 15.524 13.366 11.363 9.495 7.744 6.094 4.533 1.635 1.085 0.545 0.013 -0.511 -1.028 -1.537 -2.040 -2.537 -3.028 -3.513 -3.993 -4.468 -4.938 -5.403 -5.864 -6.320 -6.772 -7.220 -7.664 -8.103 43.534 38.318 33.826 29.896 26.418 23.308 20.505 17.959 15.630 13.486 11.502 9.654 7.926 6.302 4.769 1.938 1.404 0.880 0.365 -0.142 -0.640 -1.131 -1.614 -2.090 -2.559 -3.022 -3.479 -3.930 -4.375 -4.815 -5.249 -5.679 -6.103 -6.523 -6.939 -7.350 43.632 38.389 33.887 29.955 26.478 23.373 20.576 18.038 15.720 13.588 11.618 9.786 8.076 6.473 4.963 2.182 1.659 1.146 0.643 0.149 -0.337 -0.814 -1.284 -1.746 -2.201 -2.648 -3.090 -3.525 -3.954 -4.377 -4.794 -5.206 -5.614 -6.016 -6.413 -6.806 43.721 38.450 33.939 30.004 26.529 23.428 20.637 18.106 15.796 13.675 11.716 9.899 8.204 6.617 5.125 2.383 1.869 1.365 0.871 0.386 -0.090 -0.557 -1.017 -1.468 -1.912 -2.349 -2.779 -3.203 -3.620 -4.031 -4.437 -4.837 -5.231 -5.620 -6.005 -6.385 43.800 38.504 33.983 30.046 26.572 23.475 20.689 18.165 15.862 13.750 11.801 9.995 8.313 6.739 5.262 2.554 2.047 1.550 1.063 0.585 0.117 -0.343 -0.794 -1.237 -1.673 -2.102 -2.523 -2.938 -3.346 -3.749 -4.145 -4.536 -4.921 -5.301 -5.675 -6.045 43.872 38.550 34.020 30.081 26.609 23.515 20.733 18.215 15.919 13.815 11.875 10.078 8.407 6.845 5.380 2.700 2.198 1.707 1.227 0.755 0.293 -0.160 -0.605 -1.042 -1.471 -1.893 -2.308 -2.716 -3.117 -3.512 -3.901 -4.284 -4.662 -5.035 -5.402 -5.765 99999.999 38.592 34.052 30.111 26.639 23.548 20.771 18.258 15.969 13.871 11.939 10.151 8.489 6.937 5.483 2.826 2.329 1.844 1.368 0.902 0.445 -0.003 -0.443 -0.874 -1.298 -1.714 -2.123 -2.525 -2.921 -3.310 -3.694 -4.071 -4.443 -4.810 -5.171 -5.528 HF,gas HF,gas Ssln ID, Coef: 6 1.000 GAS P-T:All Wt.(g/mol) = 20.000 Ref: RH95 2 1.000 1 1.000 23 B,C 2.073 1.111 0.248 -0.527 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.073 1.111 0.248 -0.527 -1.228 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.073 1.112 0.248 -0.527 -1.228 -1.871 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.073 1.112 0.248 -0.527 -1.228 -1.871 -2.466 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.073 1.112 0.248 -0.526 -1.228 -1.870 -2.466 -3.026 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.074 1.112 0.249 -0.526 -1.228 -1.870 -2.465 -3.025 -3.558 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.074 1.112 0.249 -0.526 -1.227 -1.869 -2.464 -3.023 -3.556 -4.074 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.075 1.113 0.249 -0.525 -1.226 -1.868 -2.462 -3.021 -3.553 -4.069 -4.583 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.076 1.113 0.250 -0.524 -1.225 -1.866 -2.460 -3.017 -3.548 -4.063 -4.575 -5.101 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.077 1.114 0.251 -0.523 -1.223 -1.864 -2.457 -3.013 -3.543 -4.055 -4.563 -5.083 -5.641 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.078 1.115 0.252 -0.522 -1.222 -1.861 -2.453 -3.008 -3.535 -4.045 -4.549 -5.062 -5.606 -6.225 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.080 1.116 0.253 -0.520 -1.219 -1.858 -2.448 -3.001 -3.526 -4.033 -4.531 -5.035 -5.564 -6.153 -6.918 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.082 1.117 0.254 -0.519 -1.217 -1.855 -2.445 -2.996 -3.520 -4.023 -4.518 -5.015 -5.533 -6.103 -6.818 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.083 1.118 0.255 -0.517 -1.215 -1.852 -2.440 -2.989 -3.510 -4.010 -4.500 -4.989 -5.493 -6.037 -6.697 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.085 1.119 0.256 -0.516 -1.212 -1.848 -2.435 -2.983 -3.501 -3.998 -4.482 -4.964 -5.456 -5.978 -6.593 -7.735 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.086 1.119 0.257 -0.514 -1.210 -1.845 -2.430 -2.976 -3.492 -3.986 -4.466 -4.941 -5.421 -5.925 -6.501 -7.391 -7.736 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.087 1.120 0.258 -0.513 -1.208 -1.842 -2.426 -2.970 -3.484 -3.975 -4.451 -4.919 -5.389 -5.876 -6.419 -7.268 -7.518 -7.824 -8.253 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.088 1.121 0.259 -0.512 -1.206 -1.839 -2.421 -2.964 -3.476 -3.964 -4.436 -4.898 -5.360 -5.832 -6.347 -7.180 -7.399 -7.642 -7.925 -8.280 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.088 1.121 0.259 -0.510 -1.204 -1.836 -2.417 -2.959 -3.468 -3.954 -4.422 -4.879 -5.332 -5.791 -6.282 -7.108 -7.311 -7.527 -7.763 -8.030 -8.343 -8.721 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.089 1.121 0.260 -0.509 -1.202 -1.833 -2.413 -2.953 -3.461 -3.944 -4.409 -4.861 -5.307 -5.755 -6.224 -7.047 -7.239 -7.439 -7.652 -7.881 -8.134 -8.420 -8.747 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.089 1.122 0.260 -0.508 -1.200 -1.830 -2.409 -2.948 -3.454 -3.935 -4.396 -4.844 -5.283 -5.722 -6.173 -6.992 -7.176 -7.366 -7.564 -7.772 -7.995 -8.236 -8.501 -8.794 -9.116 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.090 1.122 0.261 -0.507 -1.199 -1.828 -2.406 -2.943 -3.447 -3.926 -4.384 -4.828 -5.262 -5.691 -6.128 -6.943 -7.121 -7.303 -7.490 -7.685 -7.889 -8.105 -8.336 -8.584 -8.851 -9.137 -9.440 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.090 1.122 0.261 -0.506 -1.197 -1.825 -2.402 -2.938 -3.440 -3.917 -4.373 -4.813 -5.242 -5.664 -6.089 -6.899 -7.071 -7.246 -7.426 -7.611 -7.802 -8.002 -8.212 -8.432 -8.666 -8.913 -9.172 -9.442 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.089 1.122 0.261 -0.506 -1.196 -1.823 -2.399 -2.933 -3.434 -3.908 -4.362 -4.798 -5.223 -5.639 -6.053 -6.857 -7.025 -7.195 -7.368 -7.546 -7.728 -7.916 -8.111 -8.314 -8.525 -8.746 -8.976 -9.214 -9.458 -9.706 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.089 1.121 0.262 -0.505 -1.194 -1.821 -2.395 -2.928 -3.428 -3.900 -4.351 -4.785 -5.205 -5.616 -6.023 -6.819 -6.983 -7.148 -7.316 -7.488 -7.662 -7.842 -8.026 -8.216 -8.412 -8.615 -8.825 -9.040 -9.261 -9.484 -9.709 99999.999 99999.999 99999.999 99999.999 99999.999 2.089 1.121 0.262 -0.504 -1.193 -1.818 -2.392 -2.924 -3.422 -3.892 -4.341 -4.772 -5.189 -5.595 -5.995 -6.783 -6.944 -7.105 -7.269 -7.435 -7.604 -7.776 -7.952 -8.132 -8.317 -8.507 -8.702 -8.901 -9.104 -9.309 -9.516 -9.722 -9.925 99999.999 99999.999 99999.999 2.088 1.121 0.262 -0.504 -1.192 -1.816 -2.389 -2.919 -3.416 -3.885 -4.331 -4.760 -5.173 -5.576 -5.971 -6.750 -6.907 -7.065 -7.225 -7.386 -7.550 -7.717 -7.886 -8.059 -8.235 -8.415 -8.598 -8.785 -8.975 -9.167 -9.359 -9.552 -9.742 -9.929 99999.999 99999.999 2.088 1.120 0.262 -0.503 -1.191 -1.814 -2.386 -2.915 -3.410 -3.877 -4.322 -4.748 -5.159 -5.558 -5.949 -6.718 -6.872 -7.027 -7.184 -7.341 -7.501 -7.662 -7.826 -7.993 -8.162 -8.334 -8.509 -8.686 -8.865 -9.046 -9.228 -9.410 -9.590 -9.767 -9.941 -10.109 2.087 1.120 0.261 -0.503 -1.189 -1.812 -2.383 -2.911 -3.405 -3.870 -4.313 -4.736 -5.145 -5.541 -5.928 -6.688 -6.840 -6.992 -7.145 -7.300 -7.455 -7.613 -7.772 -7.933 -8.096 -8.262 -8.430 -8.599 -8.770 -8.943 -9.116 -9.289 -9.460 -9.630 -9.796 -9.958 2.072 1.110 0.257 -0.502 -1.182 -1.797 -2.359 -2.877 -3.358 -3.809 -4.235 -4.640 -5.028 -5.400 -5.760 -6.450 -6.585 -6.719 -6.853 -6.986 -7.119 -7.251 -7.383 -7.515 -7.648 -7.780 -7.912 -8.044 -8.177 -8.309 -8.441 -8.573 -8.705 -8.835 -8.966 -9.095 2.046 1.093 0.247 -0.505 -1.179 -1.788 -2.342 -2.852 -3.323 -3.763 -4.177 -4.567 -4.939 -5.294 -5.635 -6.282 -6.407 -6.531 -6.653 -6.775 -6.896 -7.015 -7.134 -7.253 -7.370 -7.488 -7.604 -7.720 -7.836 -7.952 -8.067 -8.181 -8.296 -8.410 -8.523 -8.636 2.011 1.071 0.232 -0.513 -1.181 -1.783 -2.331 -2.833 -3.297 -3.728 -4.131 -4.510 -4.870 -5.212 -5.539 -6.154 -6.272 -6.388 -6.503 -6.617 -6.729 -6.841 -6.951 -7.061 -7.169 -7.277 -7.384 -7.490 -7.596 -7.701 -7.806 -7.910 -8.013 -8.116 -8.219 -8.321 1.970 1.044 0.214 -0.525 -1.186 -1.783 -2.325 -2.820 -3.277 -3.700 -4.094 -4.465 -4.814 -5.145 -5.461 -6.051 -6.164 -6.274 -6.384 -6.492 -6.598 -6.704 -6.808 -6.911 -7.013 -7.114 -7.214 -7.314 -7.412 -7.510 -7.607 -7.704 -7.800 -7.895 -7.990 -8.084 1.923 1.013 0.193 -0.539 -1.194 -1.785 -2.321 -2.811 -3.261 -3.678 -4.065 -4.428 -4.769 -5.091 -5.397 -5.967 -6.075 -6.182 -6.286 -6.390 -6.492 -6.593 -6.692 -6.790 -6.887 -6.983 -7.078 -7.172 -7.265 -7.358 -7.449 -7.540 -7.630 -7.720 -7.809 -7.897 1.873 0.980 0.169 -0.555 -1.205 -1.790 -2.321 -2.805 -3.250 -3.661 -4.042 -4.398 -4.731 -5.046 -5.344 -5.896 -6.001 -6.104 -6.205 -6.305 -6.403 -6.500 -6.596 -6.690 -6.783 -6.875 -6.965 -7.055 -7.144 -7.232 -7.320 -7.406 -7.492 -7.577 -7.661 -7.745 1.818 0.944 0.144 -0.574 -1.217 -1.797 -2.323 -2.802 -3.242 -3.647 -4.023 -4.373 -4.700 -5.008 -5.299 -5.837 -5.939 -6.039 -6.137 -6.233 -6.328 -6.422 -6.514 -6.605 -6.695 -6.784 -6.871 -6.957 -7.043 -7.127 -7.211 -7.294 -7.376 -7.458 -7.539 -7.619 99999.999 0.907 0.116 -0.594 -1.231 -1.806 -2.327 -2.801 -3.236 -3.637 -4.008 -4.352 -4.674 -4.976 -5.261 -5.787 -5.886 -5.983 -6.078 -6.172 -6.265 -6.356 -6.445 -6.533 -6.620 -6.706 -6.791 -6.874 -6.957 -7.038 -7.119 -7.199 -7.279 -7.357 -7.435 -7.512 HCl,gas HCl,gas Ssln ID, Coef: 6 1.000 GAS P-T:All Wt.(g/mol) = 36.460 Ref: RH95 2 1.000 1 1.000 3 B,C 7.470 6.306 5.268 4.340 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.470 6.306 5.268 4.340 3.502 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.469 6.305 5.268 4.339 3.501 2.736 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.469 6.304 5.267 4.339 3.501 2.736 2.030 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.467 6.303 5.266 4.338 3.500 2.735 2.029 1.371 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.465 6.301 5.264 4.336 3.498 2.734 2.028 1.370 0.748 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.462 6.298 5.261 4.333 3.496 2.732 2.027 1.369 0.747 0.150 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.458 6.294 5.257 4.330 3.493 2.729 2.025 1.368 0.747 0.151 -0.434 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.452 6.288 5.251 4.325 3.488 2.725 2.022 1.366 0.746 0.152 -0.430 -1.017 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.444 6.280 5.244 4.318 3.482 2.720 2.018 1.363 0.745 0.153 -0.426 -1.007 -1.619 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.434 6.269 5.234 4.309 3.474 2.714 2.013 1.359 0.743 0.154 -0.420 -0.995 -1.593 -2.266 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.420 6.255 5.221 4.297 3.464 2.705 2.006 1.355 0.741 0.155 -0.414 -0.981 -1.564 -2.204 -3.048 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.409 6.245 5.211 4.288 3.456 2.698 2.000 1.351 0.739 0.156 -0.410 -0.970 -1.544 -2.163 -2.931 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.393 6.229 5.197 4.275 3.445 2.688 1.992 1.345 0.736 0.156 -0.404 -0.957 -1.518 -2.112 -2.813 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.378 6.214 5.183 4.262 3.433 2.679 1.984 1.339 0.733 0.156 -0.400 -0.946 -1.495 -2.069 -2.722 -4.891 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.362 6.199 5.168 4.249 3.422 2.669 1.976 1.333 0.729 0.156 -0.396 -0.935 -1.474 -2.031 -2.648 -4.022 -4.644 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.346 6.183 5.154 4.236 3.410 2.659 1.968 1.327 0.725 0.155 -0.393 -0.926 -1.456 -1.997 -2.584 -3.778 -4.157 -4.655 -5.346 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.330 6.168 5.139 4.223 3.399 2.649 1.960 1.321 0.721 0.154 -0.390 -0.918 -1.440 -1.968 -2.530 -3.640 -3.941 -4.294 -4.726 -5.268 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.314 6.152 5.125 4.210 3.387 2.639 1.951 1.314 0.717 0.152 -0.388 -0.912 -1.426 -1.942 -2.483 -3.542 -3.807 -4.099 -4.432 -4.820 -5.278 -5.815 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.298 6.136 5.111 4.197 3.375 2.629 1.943 1.308 0.713 0.150 -0.387 -0.906 -1.413 -1.920 -2.442 -3.467 -3.709 -3.969 -4.252 -4.567 -4.923 -5.328 -5.783 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.282 6.121 5.096 4.184 3.364 2.618 1.935 1.301 0.708 0.148 -0.386 -0.900 -1.402 -1.900 -2.407 -3.406 -3.633 -3.871 -4.125 -4.400 -4.700 -5.030 -5.396 -5.796 -6.228 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.266 6.105 5.082 4.171 3.352 2.608 1.926 1.294 0.703 0.146 -0.385 -0.896 -1.393 -1.882 -2.376 -3.355 -3.570 -3.794 -4.028 -4.277 -4.543 -4.829 -5.139 -5.474 -5.834 -6.215 -6.614 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.249 6.090 5.067 4.158 3.340 2.598 1.917 1.287 0.698 0.143 -0.385 -0.892 -1.384 -1.867 -2.350 -3.311 -3.517 -3.730 -3.950 -4.181 -4.424 -4.681 -4.955 -5.246 -5.557 -5.885 -6.229 -6.584 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.233 6.074 5.053 4.145 3.329 2.588 1.909 1.280 0.693 0.140 -0.385 -0.889 -1.377 -1.854 -2.328 -3.273 -3.472 -3.675 -3.885 -4.103 -4.329 -4.566 -4.814 -5.076 -5.352 -5.642 -5.945 -6.258 -6.580 -6.905 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.216 6.058 5.038 4.131 3.317 2.577 1.900 1.273 0.688 0.137 -0.386 -0.887 -1.370 -1.842 -2.308 -3.238 -3.431 -3.628 -3.829 -4.037 -4.250 -4.472 -4.703 -4.943 -5.194 -5.456 -5.728 -6.010 -6.299 -6.593 -6.888 99999.999 99999.999 99999.999 99999.999 99999.999 7.200 6.042 5.024 4.118 3.305 2.567 1.891 1.266 0.683 0.134 -0.387 -0.885 -1.365 -1.832 -2.292 -3.208 -3.396 -3.587 -3.781 -3.980 -4.184 -4.394 -4.611 -4.835 -5.068 -5.309 -5.558 -5.815 -6.078 -6.346 -6.617 -6.889 -7.159 99999.999 99999.999 99999.999 7.183 6.026 5.009 4.105 3.293 2.557 1.882 1.259 0.677 0.131 -0.388 -0.883 -1.360 -1.823 -2.278 -3.180 -3.364 -3.550 -3.738 -3.930 -4.126 -4.327 -4.533 -4.745 -4.963 -5.188 -5.419 -5.657 -5.900 -6.147 -6.398 -6.650 -6.901 -7.151 99999.999 99999.999 7.166 6.011 4.995 4.092 3.281 2.546 1.873 1.251 0.672 0.127 -0.389 -0.882 -1.356 -1.816 -2.265 -3.155 -3.335 -3.516 -3.700 -3.886 -4.075 -4.269 -4.466 -4.668 -4.875 -5.087 -5.304 -5.526 -5.753 -5.984 -6.217 -6.453 -6.688 -6.923 -7.154 -7.382 7.150 5.995 4.980 4.079 3.269 2.536 1.864 1.244 0.666 0.123 -0.391 -0.881 -1.352 -1.809 -2.254 -3.132 -3.308 -3.486 -3.665 -3.847 -4.030 -4.217 -4.407 -4.601 -4.798 -5.000 -5.206 -5.416 -5.630 -5.847 -6.067 -6.288 -6.510 -6.731 -6.950 -7.167 6.978 5.835 4.834 3.946 3.150 2.430 1.772 1.166 0.603 0.077 -0.418 -0.888 -1.336 -1.766 -2.181 -2.977 -3.132 -3.287 -3.441 -3.594 -3.747 -3.900 -4.053 -4.206 -4.359 -4.512 -4.666 -4.819 -4.973 -5.128 -5.282 -5.437 -5.592 -5.747 -5.901 -6.055 6.800 5.673 4.686 3.812 3.029 2.322 1.676 1.083 0.534 0.022 -0.459 -0.913 -1.344 -1.755 -2.149 -2.896 -3.040 -3.183 -3.324 -3.464 -3.603 -3.741 -3.878 -4.014 -4.150 -4.284 -4.418 -4.552 -4.685 -4.817 -4.949 -5.081 -5.212 -5.342 -5.472 -5.602 6.618 5.508 4.537 3.677 2.907 2.212 1.578 0.997 0.459 -0.041 -0.509 -0.950 -1.366 -1.763 -2.141 -2.853 -2.990 -3.124 -3.257 -3.388 -3.518 -3.647 -3.774 -3.901 -4.026 -4.150 -4.273 -4.395 -4.516 -4.637 -4.756 -4.875 -4.993 -5.111 -5.228 -5.344 6.433 5.342 4.387 3.542 2.784 2.101 1.478 0.908 0.381 -0.108 -0.565 -0.994 -1.399 -1.783 -2.149 -2.833 -2.964 -3.092 -3.219 -3.344 -3.468 -3.590 -3.710 -3.829 -3.947 -4.064 -4.179 -4.294 -4.407 -4.520 -4.631 -4.742 -4.852 -4.961 -5.069 -5.176 6.244 5.175 4.237 3.405 2.661 1.989 1.377 0.817 0.300 -0.179 -0.626 -1.045 -1.439 -1.813 -2.167 -2.829 -2.955 -3.078 -3.200 -3.320 -3.439 -3.555 -3.671 -3.785 -3.897 -4.008 -4.118 -4.227 -4.335 -4.441 -4.547 -4.651 -4.755 -4.858 -4.960 -5.061 6.054 5.007 4.086 3.268 2.537 1.876 1.275 0.724 0.217 -0.253 -0.690 -1.100 -1.485 -1.849 -2.194 -2.836 -2.958 -3.077 -3.195 -3.311 -3.425 -3.538 -3.649 -3.758 -3.866 -3.973 -4.079 -4.183 -4.286 -4.388 -4.489 -4.589 -4.688 -4.786 -4.883 -4.979 5.862 4.838 3.934 3.131 2.412 1.762 1.172 0.631 0.133 -0.329 -0.758 -1.159 -1.536 -1.891 -2.227 -2.852 -2.970 -3.086 -3.200 -3.313 -3.423 -3.532 -3.640 -3.746 -3.850 -3.953 -4.055 -4.155 -4.255 -4.353 -4.450 -4.546 -4.642 -4.736 -4.829 -4.922 99999.999 4.669 3.782 2.993 2.287 1.648 1.067 0.536 0.046 -0.406 -0.827 -1.221 -1.590 -1.937 -2.266 -2.875 -2.990 -3.103 -3.214 -3.323 -3.430 -3.536 -3.641 -3.743 -3.845 -3.944 -4.043 -4.140 -4.237 -4.332 -4.426 -4.519 -4.611 -4.702 -4.792 -4.881 Hg,gas Hg,gas Ssln ID, Coef: 6 1.000 GAS P-T:L-V Wt.(g/mol) = 200.590 Ref: SR89c 5 -2.250 1 -0.250 4 1.000 20 0.250 6 1.000 2 B,C -14.850 -14.210 -12.890 -12.040 -11.140 -10.350 -9.710 99999.999 Hg,gas Hg,gas Ssln ID, Coef: 6 1.000 GAS P-T:L-V Wt.(g/mol) = 200.590 Ref: SR89c 4 -2.000 1 1.000 20 -0.500 31 1.000 2 B,C 19.735 17.400 13.855 10.905 8.720 6.920 5.305 99999.999 fO2-0.7 fO2-0.7 P-T:L-V Wt.(g/mol) = 1.e-30 D(g/cc) = .1E+31 Ref: 1 1.000 31 -3.596 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 fCO2-3.5 fCO2-3.5 P-T:L-V Wt.(g/mol) = 1.e-30 D(g/cc) = .1E+31 Ref: 3 1.000 5 1.000 1 -1.000 2 -11.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 fCO2-3.0 fCO2-3.0 P-T:L-V Wt.(g/mol) = 1.e-30 D(g/cc) = .1E+31 Ref: 3 1.000 5 1.000 1 -1.000 2 -10.820 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 fCO2,1bar20C fCO2,1bar20C P-T:All Wt.(g/mol) = 1.e-30 D(g/cc) = .1E+31 Ref: 3 1.000 5 1.000 1 -1.000 2 -7.788 -7.788 -7.788 -7.788 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.788 -7.788 -7.788 -7.788 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.788 -7.788 -7.788 -7.788 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.788 -7.788 -7.788 -7.788 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.788 -7.788 -7.788 -7.788 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.788 -7.788 -7.788 -7.788 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.788 -7.788 -7.788 -7.788 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.788 -7.788 -7.788 -7.788 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.788 -7.788 -7.788 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 acmite NaFeSi2O6 P-T:All Wt.(g/mol) = 231.010 V(cc/mol) = 64.590 D(g/cc) = 3.577 Ref: H&P2011 7 1.000 13 1.000 11 2.000 7 -2.500 2 0.125 4 -2.875 1 -0.125 6 10.987 10.045 9.152 8.365 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.987 10.045 9.152 8.365 7.682 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99999.999 11.099 10.209 9.337 8.563 7.891 7.309 6.801 6.355 5.955 5.593 5.257 4.940 4.633 4.325 3.979 3.940 3.968 4.051 4.201 4.393 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.102 10.219 9.351 8.579 7.908 7.327 6.822 6.377 5.980 5.621 5.289 4.978 4.681 4.387 4.068 3.926 3.913 3.930 3.985 4.079 4.197 4.300 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.103 10.228 9.363 8.593 7.924 7.345 6.841 6.398 6.004 5.647 5.320 5.015 4.726 4.445 4.150 3.936 3.901 3.885 3.893 3.926 3.985 4.058 4.125 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.103 10.236 9.374 8.606 7.939 7.361 6.859 6.418 6.026 5.673 5.349 5.049 4.768 4.498 4.224 3.957 3.911 3.877 3.858 3.857 3.875 3.909 3.953 3.995 4.020 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.101 10.242 9.384 8.618 7.953 7.377 6.876 6.438 6.048 5.697 5.377 5.082 4.807 4.546 4.289 3.986 3.931 3.886 3.852 3.831 3.823 3.829 3.847 3.871 3.896 3.912 3.914 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.098 10.247 9.393 8.629 7.966 7.391 6.893 6.456 6.068 5.720 5.404 5.113 4.843 4.591 4.348 4.017 3.959 3.907 3.863 3.829 3.804 3.791 3.788 3.794 3.806 3.819 3.829 3.832 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.093 10.251 9.401 8.640 7.977 7.405 6.908 6.473 6.088 5.743 5.429 5.142 4.877 4.632 4.400 4.051 3.989 3.933 3.884 3.841 3.806 3.780 3.762 3.753 3.750 3.753 3.758 3.763 3.767 3.768 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.087 10.253 9.407 8.649 7.988 7.418 6.923 6.490 6.107 5.764 5.453 5.170 4.909 4.669 4.445 4.085 4.022 3.964 3.910 3.862 3.820 3.785 3.756 3.735 3.721 3.713 3.710 3.710 3.712 3.715 3.720 99999.999 99999.999 99999.999 99999.999 99999.999 11.079 10.255 9.413 8.657 7.999 7.430 6.936 6.505 6.124 5.784 5.476 5.196 4.939 4.703 4.486 4.120 4.056 3.996 3.940 3.888 3.841 3.800 3.764 3.735 3.712 3.694 3.682 3.675 3.672 3.672 3.675 3.682 3.692 99999.999 99999.999 99999.999 11.070 10.255 9.417 8.664 8.008 7.441 6.949 6.520 6.141 5.803 5.498 5.221 4.968 4.735 4.522 4.155 4.091 4.029 3.972 3.918 3.868 3.822 3.782 3.746 3.716 3.691 3.671 3.656 3.647 3.641 3.640 3.643 3.651 3.664 99999.999 99999.999 11.060 10.254 9.421 8.670 8.016 7.451 6.961 6.534 6.157 5.822 5.520 5.245 4.994 4.765 4.555 4.190 4.125 4.063 4.005 3.949 3.897 3.849 3.805 3.765 3.729 3.698 3.673 3.651 3.635 3.624 3.617 3.616 3.619 3.628 3.642 3.664 11.048 10.252 9.424 8.676 8.024 7.460 6.972 6.547 6.173 5.839 5.540 5.268 5.020 4.793 4.586 4.224 4.159 4.097 4.038 3.982 3.929 3.878 3.832 3.789 3.749 3.714 3.683 3.657 3.635 3.618 3.606 3.599 3.597 3.600 3.609 3.625 10.867 10.178 9.401 8.685 8.057 7.514 7.045 6.639 6.285 5.974 5.698 5.450 5.228 5.026 4.843 4.524 4.466 4.410 4.356 4.303 4.252 4.202 4.154 4.107 4.061 4.017 3.973 3.932 3.891 3.853 3.816 3.780 3.747 3.716 3.687 3.660 10.587 10.021 9.305 8.627 8.027 7.507 7.058 6.672 6.338 6.047 5.791 5.566 5.365 5.186 5.025 4.749 4.700 4.653 4.607 4.562 4.519 4.477 4.436 4.396 4.357 4.319 4.282 4.245 4.209 4.174 4.140 4.106 4.073 4.040 4.008 3.977 10.229 9.797 9.149 8.514 7.946 7.451 7.024 6.658 6.343 6.071 5.836 5.630 5.450 5.290 5.150 4.913 4.872 4.832 4.794 4.758 4.722 4.688 4.655 4.623 4.592 4.561 4.531 4.502 4.474 4.446 4.418 4.391 4.364 4.337 4.311 4.285 9.807 9.519 8.944 8.357 7.822 7.354 6.951 6.606 6.310 6.058 5.841 5.654 5.492 5.351 5.229 5.029 4.995 4.962 4.931 4.902 4.873 4.846 4.821 4.796 4.772 4.748 4.726 4.704 4.682 4.661 4.641 4.621 4.601 4.581 4.561 4.542 9.331 9.195 8.698 8.161 7.663 7.225 6.846 6.522 6.246 6.012 5.813 5.644 5.500 5.377 5.272 5.105 5.077 5.051 5.027 5.004 4.982 4.962 4.942 4.924 4.907 4.890 4.874 4.858 4.843 4.829 4.815 4.801 4.788 4.775 4.761 4.748 8.812 8.833 8.418 7.934 7.475 7.067 6.713 6.411 6.156 5.940 5.759 5.607 5.479 5.373 5.284 5.149 5.127 5.107 5.089 5.072 5.057 5.042 5.029 5.016 5.004 4.994 4.983 4.974 4.965 4.956 4.948 4.941 4.933 4.926 4.918 4.911 8.253 8.438 8.108 7.679 7.260 6.884 6.557 6.278 6.042 5.845 5.681 5.546 5.435 5.344 5.271 5.165 5.150 5.136 5.123 5.112 5.102 5.093 5.085 5.078 5.071 5.066 5.061 5.057 5.054 5.050 5.048 5.045 5.043 5.041 5.039 5.037 99999.999 8.014 7.772 7.400 7.023 6.680 6.380 6.124 5.909 5.731 5.584 5.465 5.370 5.294 5.236 5.159 5.149 5.140 5.133 5.127 5.122 5.118 5.115 5.113 5.112 5.112 5.112 5.113 5.114 5.116 5.118 5.120 5.123 5.126 5.129 5.131 acmite NaFeSi2O6 P-T:All Wt.(g/mol) = 231.010 V(cc/mol) = 64.590 D(g/cc) = 3.577 Ref: H&P2011 6 1.000 13 1.000 11 2.000 7 -2.500 2 0.250 31 -3.000 1 -8.025 -7.245 -6.653 -6.149 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.015 -7.231 -6.637 -6.133 -5.682 -5.271 -4.895 -4.550 -4.238 -3.961 -3.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.010 -7.224 -6.630 -6.125 -5.673 -5.262 -4.885 -4.540 -4.227 -3.948 -3.708 -3.517 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.005 -7.215 -6.620 -6.114 -5.662 -5.250 -4.872 -4.526 -4.211 -3.930 -3.687 -3.491 -3.348 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.998 -7.205 -6.608 -6.101 -5.649 -5.235 -4.856 -4.509 -4.192 -3.908 -3.661 -3.459 -3.307 -3.205 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.991 -7.193 -6.594 -6.086 -5.632 -5.217 -4.836 -4.487 -4.168 -3.880 -3.629 -3.418 -3.256 -3.148 -3.055 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.986 -7.184 -6.583 -6.074 -5.619 -5.204 -4.822 -4.471 -4.150 -3.860 -3.604 -3.388 -3.217 -3.100 -3.058 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.982 -7.174 -6.570 -6.059 -5.602 -5.185 -4.802 -4.449 -4.125 -3.832 -3.571 -3.346 -3.164 -3.032 -2.995 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.979 -7.164 -6.558 -6.045 -5.587 -5.168 -4.783 -4.428 -4.101 -3.805 -3.539 -3.307 -3.113 -2.965 -2.911 -0.030 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.978 -7.157 -6.547 -6.032 -5.572 -5.152 -4.765 -4.408 -4.079 -3.779 -3.509 -3.270 -3.065 -2.902 -2.822 -1.376 -0.660 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.979 -7.151 -6.537 -6.020 -5.559 -5.138 -4.748 -4.389 -4.058 -3.755 -3.480 -3.234 -3.020 -2.842 -2.736 -1.675 -1.334 -0.844 -0.227 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.982 -7.146 -6.529 -6.010 -5.547 -5.124 -4.733 -4.372 -4.038 -3.732 -3.453 -3.201 -2.978 -2.786 -2.655 -1.786 -1.565 -1.276 -0.901 -0.459 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.987 -7.143 -6.522 -6.001 -5.536 -5.111 -4.718 -4.355 -4.019 -3.710 -3.427 -3.170 -2.939 -2.735 -2.580 -1.832 -1.663 -1.459 -1.208 -0.905 -0.563 -0.220 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.993 -7.141 -6.517 -5.993 -5.526 -5.099 -4.705 -4.339 -4.001 -3.689 -3.403 -3.141 -2.902 -2.687 -2.512 -1.847 -1.707 -1.545 -1.356 -1.134 -0.879 -0.600 -0.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.001 -7.140 -6.512 -5.986 -5.517 -5.089 -4.692 -4.325 -3.984 -3.670 -3.380 -3.113 -2.868 -2.644 -2.450 -1.847 -1.723 -1.585 -1.431 -1.256 -1.057 -0.836 -0.600 -0.360 -0.132 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.010 -7.141 -6.509 -5.980 -5.509 -5.079 -4.681 -4.311 -3.968 -3.651 -3.358 -3.087 -2.836 -2.604 -2.396 -1.837 -1.723 -1.601 -1.468 -1.321 -1.158 -0.978 -0.782 -0.576 -0.366 -0.162 0.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.021 -7.143 -6.506 -5.975 -5.502 -5.070 -4.670 -4.298 -3.953 -3.634 -3.337 -3.063 -2.807 -2.568 -2.348 -1.821 -1.715 -1.602 -1.482 -1.353 -1.213 -1.061 -0.896 -0.719 -0.535 -0.347 -0.162 0.018 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.033 -7.146 -6.505 -5.971 -5.496 -5.062 -4.660 -4.287 -3.939 -3.617 -3.318 -3.040 -2.780 -2.535 -2.306 -1.802 -1.700 -1.594 -1.484 -1.367 -1.242 -1.108 -0.965 -0.812 -0.651 -0.483 -0.312 -0.141 0.028 0.194 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.047 -7.150 -6.505 -5.968 -5.491 -5.055 -4.651 -4.276 -3.926 -3.601 -3.300 -3.018 -2.755 -2.506 -2.270 -1.781 -1.682 -1.581 -1.477 -1.368 -1.253 -1.133 -1.005 -0.870 -0.727 -0.577 -0.423 -0.264 -0.104 0.056 0.216 99999.999 99999.999 99999.999 99999.999 99999.999 -8.062 -7.156 -6.506 -5.966 -5.487 -5.049 -4.643 -4.265 -3.914 -3.587 -3.282 -2.998 -2.731 -2.479 -2.238 -1.758 -1.662 -1.564 -1.464 -1.361 -1.254 -1.142 -1.026 -0.903 -0.775 -0.640 -0.500 -0.356 -0.208 -0.057 0.096 0.250 0.406 99999.999 99999.999 99999.999 -8.078 -7.163 -6.508 -5.965 -5.483 -5.043 -4.635 -4.256 -3.902 -3.573 -3.266 -2.979 -2.709 -2.454 -2.209 -1.734 -1.640 -1.544 -1.447 -1.348 -1.247 -1.142 -1.033 -0.921 -0.803 -0.680 -0.553 -0.421 -0.284 -0.144 -0.001 0.145 0.294 0.446 99999.999 99999.999 -8.096 -7.170 -6.511 -5.964 -5.481 -5.038 -4.629 -4.247 -3.891 -3.560 -3.250 -2.961 -2.689 -2.431 -2.184 -1.710 -1.617 -1.523 -1.428 -1.332 -1.235 -1.135 -1.032 -0.926 -0.817 -0.704 -0.586 -0.464 -0.338 -0.209 -0.075 0.062 0.202 0.346 0.494 0.645 -8.115 -7.179 -6.514 -5.965 -5.479 -5.035 -4.623 -4.239 -3.882 -3.547 -3.236 -2.944 -2.669 -2.409 -2.161 -1.686 -1.594 -1.501 -1.407 -1.314 -1.219 -1.123 -1.024 -0.924 -0.821 -0.715 -0.605 -0.492 -0.375 -0.255 -0.130 -0.003 0.129 0.264 0.403 0.546 -8.368 -7.319 -6.599 -6.014 -5.501 -5.034 -4.602 -4.198 -3.819 -3.463 -3.129 -2.814 -2.517 -2.236 -1.968 -1.467 -1.372 -1.278 -1.186 -1.095 -1.006 -0.917 -0.830 -0.744 -0.659 -0.575 -0.491 -0.408 -0.326 -0.243 -0.161 -0.079 0.004 0.087 0.170 0.255 -8.718 -7.541 -6.755 -6.128 -5.584 -5.092 -4.637 -4.213 -3.814 -3.437 -3.082 -2.746 -2.429 -2.127 -1.839 -1.303 -1.201 -1.101 -1.003 -0.907 -0.812 -0.719 -0.628 -0.538 -0.450 -0.364 -0.279 -0.195 -0.113 -0.033 0.047 0.125 0.202 0.277 0.352 0.425 -9.145 -7.828 -6.969 -6.295 -5.717 -5.197 -4.719 -4.272 -3.853 -3.456 -3.081 -2.726 -2.389 -2.068 -1.762 -1.190 -1.082 -0.975 -0.870 -0.768 -0.667 -0.567 -0.470 -0.374 -0.281 -0.188 -0.098 -0.009 0.078 0.163 0.247 0.329 0.409 0.488 0.565 0.641 -9.636 -8.167 -7.230 -6.505 -5.890 -5.340 -4.837 -4.368 -3.928 -3.512 -3.118 -2.744 -2.388 -2.049 -1.725 -1.120 -1.005 -0.892 -0.781 -0.672 -0.564 -0.459 -0.355 -0.254 -0.154 -0.056 0.041 0.135 0.228 0.319 0.408 0.496 0.582 0.666 0.748 0.829 -10.179 -8.552 -7.531 -6.752 -6.097 -5.516 -4.986 -4.494 -4.033 -3.597 -3.184 -2.792 -2.418 -2.062 -1.722 -1.084 -0.963 -0.844 -0.727 -0.612 -0.499 -0.387 -0.278 -0.170 -0.065 0.039 0.141 0.242 0.340 0.437 0.532 0.625 0.716 0.806 0.893 0.979 -10.766 -8.973 -7.866 -7.030 -6.333 -5.719 -5.161 -4.646 -4.163 -3.708 -3.277 -2.867 -2.476 -2.103 -1.746 -1.078 -0.951 -0.826 -0.704 -0.583 -0.464 -0.347 -0.232 -0.119 -0.008 0.102 0.209 0.315 0.418 0.520 0.621 0.719 0.816 0.910 1.003 1.095 -11.390 -9.427 -8.230 -7.334 -6.593 -5.945 -5.359 -4.819 -4.315 -3.840 -3.390 -2.963 -2.556 -2.167 -1.795 -1.097 -0.965 -0.834 -0.706 -0.579 -0.455 -0.333 -0.213 -0.095 0.022 0.136 0.249 0.359 0.468 0.575 0.680 0.783 0.885 0.985 1.082 1.179 99999.999 -9.909 -8.618 -7.662 -6.876 -6.192 -5.577 -5.012 -4.485 -3.991 -3.523 -3.078 -2.655 -2.250 -1.863 -1.137 -0.999 -0.863 -0.730 -0.598 -0.469 -0.342 -0.217 -0.093 0.028 0.147 0.264 0.380 0.493 0.605 0.714 0.822 0.928 1.032 1.135 1.235 akermanite Ca2MgSi2O7 P-T:All Wt.(g/mol) = 272.640 V(cc/mol) = 92.540 D(g/cc) = 2.946 Ref: H&P2011 5 2.000 9 1.000 10 2.000 7 -1.000 2 -6.000 1 52.779 47.747 43.394 39.642 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.779 47.747 43.394 39.642 36.388 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.780 47.748 43.395 39.644 36.390 33.540 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.783 47.751 43.398 39.646 36.392 33.543 31.022 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.788 47.756 43.403 39.651 36.397 33.548 31.027 28.771 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.795 47.763 43.410 39.658 36.404 33.555 31.034 28.779 26.737 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.806 47.774 43.421 39.669 36.415 33.567 31.046 28.791 26.750 24.877 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.821 47.790 43.437 39.685 36.431 33.582 31.062 28.808 26.769 24.898 23.149 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.842 47.812 43.458 39.706 36.452 33.604 31.085 28.832 26.794 24.926 23.182 21.518 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.869 47.840 43.486 39.734 36.480 33.632 31.114 28.863 26.828 24.963 23.226 21.571 19.964 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.904 47.876 43.522 39.770 36.516 33.669 31.152 28.903 26.871 25.011 23.281 21.639 20.049 18.505 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.947 47.921 43.568 39.815 36.562 33.715 31.200 28.953 26.925 25.071 23.351 21.724 20.155 18.619 17.205 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.979 47.955 43.602 39.849 36.596 33.750 31.236 28.991 26.966 25.117 23.403 21.788 20.237 18.715 17.173 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.023 48.002 43.650 39.897 36.644 33.799 31.287 29.045 27.023 25.180 23.476 21.877 20.349 18.857 17.290 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.065 48.047 43.695 39.943 36.690 33.846 31.336 29.097 27.079 25.241 23.546 21.962 20.457 18.996 17.462 21.358 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.104 48.091 43.739 39.987 36.735 33.892 31.383 29.147 27.133 25.300 23.614 22.043 20.560 19.131 17.648 18.080 19.261 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.141 48.132 43.782 40.030 36.778 33.937 31.429 29.195 27.185 25.357 23.679 22.120 20.657 19.258 17.831 17.329 17.598 18.250 19.238 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.176 48.172 43.823 40.072 36.820 33.979 31.474 29.242 27.235 25.412 23.741 22.194 20.749 19.378 18.005 17.033 17.011 17.170 17.554 18.126 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.209 48.209 43.862 40.112 36.861 34.021 31.517 29.288 27.284 25.466 23.801 22.265 20.835 19.490 18.166 16.897 16.745 16.696 16.776 17.000 17.340 17.704 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.239 48.245 43.900 40.150 36.900 34.061 31.559 29.332 27.331 25.517 23.859 22.332 20.917 19.593 18.313 16.837 16.614 16.459 16.386 16.408 16.527 16.723 16.946 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.268 48.280 43.936 40.187 36.938 34.100 31.599 29.375 27.377 25.567 23.915 22.396 20.993 19.688 18.446 16.817 16.553 16.336 16.176 16.082 16.060 16.107 16.209 16.336 16.452 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.295 48.313 43.971 40.223 36.975 34.138 31.639 29.416 27.422 25.616 23.969 22.457 21.065 19.776 18.564 16.823 16.531 16.275 16.061 15.896 15.785 15.729 15.725 15.763 15.824 15.887 15.932 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.320 48.344 44.005 40.258 37.010 34.175 31.677 29.457 27.465 25.663 24.020 22.516 21.132 19.856 18.668 16.844 16.533 16.251 16.003 15.792 15.622 15.496 15.414 15.373 15.366 15.381 15.404 15.425 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.344 48.374 44.037 40.291 37.045 34.210 31.714 29.496 27.507 25.708 24.070 22.571 21.195 19.929 18.760 16.875 16.550 16.251 15.979 15.736 15.527 15.352 15.215 15.114 15.046 15.006 14.988 14.982 14.983 14.985 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.365 48.403 44.068 40.323 37.078 34.245 31.750 29.534 27.547 25.752 24.119 22.625 21.254 19.997 18.840 16.913 16.579 16.266 15.977 15.713 15.475 15.267 15.089 14.943 14.826 14.739 14.676 14.633 14.606 14.590 14.583 99999.999 99999.999 99999.999 99999.999 99999.999 53.385 48.430 44.097 40.354 37.110 34.278 31.785 29.571 27.587 25.795 24.165 22.676 21.311 20.059 18.911 16.955 16.614 16.292 15.991 15.710 15.453 15.220 15.013 14.833 14.679 14.552 14.450 14.370 14.310 14.266 14.237 14.221 14.218 99999.999 99999.999 99999.999 53.403 48.455 44.126 40.384 37.141 34.310 31.818 29.606 27.625 25.837 24.210 22.725 21.364 20.117 18.974 17.001 16.655 16.326 16.015 15.723 15.451 15.200 14.971 14.765 14.583 14.424 14.289 14.176 14.084 14.011 13.955 13.916 13.891 13.883 99999.999 99999.999 53.420 48.480 44.153 40.413 37.171 34.341 31.851 29.641 27.663 25.877 24.254 22.772 21.415 20.171 19.031 17.049 16.698 16.364 16.047 15.746 15.463 15.198 14.953 14.728 14.523 14.340 14.178 14.037 13.916 13.815 13.732 13.667 13.619 13.588 13.573 13.575 53.435 48.503 44.179 40.441 37.200 34.371 31.883 29.675 27.699 25.916 24.297 22.818 21.464 20.223 19.085 17.098 16.745 16.407 16.084 15.776 15.485 15.210 14.952 14.712 14.491 14.288 14.104 13.940 13.795 13.669 13.561 13.471 13.399 13.343 13.305 13.284 53.509 48.669 44.383 40.665 37.439 34.625 32.152 29.962 28.009 26.252 24.663 23.216 21.893 20.680 19.565 17.591 17.233 16.885 16.549 16.222 15.906 15.599 15.302 15.014 14.735 14.465 14.204 13.952 13.709 13.475 13.249 13.033 12.826 12.629 12.440 12.261 53.465 48.736 44.499 40.809 37.602 34.804 32.347 30.175 28.241 26.508 24.943 23.523 22.228 21.041 19.952 18.021 17.670 17.329 16.998 16.676 16.363 16.059 15.762 15.474 15.193 14.919 14.652 14.392 14.138 13.890 13.648 13.411 13.181 12.956 12.736 12.521 53.326 48.724 44.544 40.887 37.703 34.924 32.484 30.329 28.414 26.700 25.158 23.761 22.490 21.329 20.264 18.379 18.036 17.703 17.380 17.066 16.761 16.464 16.175 15.893 15.619 15.351 15.089 14.834 14.584 14.340 14.100 13.866 13.637 13.412 13.191 12.974 53.111 48.648 44.532 40.913 37.755 34.996 32.574 30.436 28.539 26.844 25.321 23.945 22.696 21.557 20.514 18.673 18.338 18.014 17.699 17.393 17.096 16.807 16.526 16.253 15.986 15.726 15.472 15.224 14.982 14.744 14.512 14.285 14.062 13.843 13.629 13.417 52.833 48.519 44.473 40.895 37.766 35.029 32.626 30.505 28.624 26.947 25.442 24.086 22.857 21.738 20.715 18.914 18.587 18.271 17.964 17.666 17.377 17.096 16.822 16.556 16.297 16.045 15.799 15.558 15.324 15.094 14.870 14.650 14.435 14.223 14.016 13.813 52.503 48.345 44.373 40.839 37.741 35.028 32.645 30.542 28.678 27.017 25.529 24.190 22.979 21.879 20.875 19.111 18.792 18.482 18.183 17.892 17.610 17.336 17.070 16.811 16.560 16.314 16.075 15.842 15.615 15.393 15.175 14.963 14.755 14.551 14.351 14.155 52.128 48.133 44.238 40.751 37.686 34.998 32.636 30.551 28.704 27.059 25.587 24.264 23.070 21.987 21.000 19.271 18.958 18.656 18.363 18.079 17.804 17.536 17.277 17.025 16.780 16.541 16.309 16.082 15.861 15.646 15.435 15.229 15.028 14.831 14.638 14.448 99999.999 47.889 44.074 40.636 37.605 34.943 32.602 30.537 28.706 27.077 25.621 24.313 23.135 22.067 21.097 19.399 19.093 18.797 18.510 18.232 17.963 17.702 17.449 17.203 16.963 16.731 16.504 16.284 16.069 15.860 15.655 15.455 15.260 15.069 14.882 14.698 akimotoite MgSiO3 P-T:All Wt.(g/mol) = 100.387 V(cc/mol) = 26.350 D(g/cc) = 3.810 Ref: H&P2011 4 1.000 10 1.000 7 -1.000 2 -2.000 1 24.165 21.830 19.812 18.077 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.165 21.830 19.812 18.077 16.576 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.166 21.831 19.813 18.077 16.577 15.268 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.166 21.831 19.813 18.078 16.578 15.269 14.115 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.167 21.832 19.814 18.079 16.579 15.270 14.117 13.090 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.168 21.834 19.816 18.081 16.581 15.272 14.119 13.092 12.168 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.170 21.836 19.819 18.084 16.584 15.275 14.123 13.096 12.173 11.331 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.172 21.840 19.823 18.088 16.588 15.280 14.127 13.102 12.179 11.338 10.558 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.175 21.844 19.828 18.093 16.594 15.286 14.134 13.109 12.187 11.347 10.570 9.835 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.179 21.850 19.834 18.101 16.602 15.294 14.143 13.119 12.198 11.360 10.585 9.855 9.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.184 21.857 19.842 18.110 16.611 15.305 14.154 13.131 12.212 11.376 10.604 9.879 9.185 8.524 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.189 21.866 19.852 18.121 16.623 15.317 14.168 13.147 12.229 11.396 10.628 9.909 9.224 8.563 7.976 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.192 21.872 19.860 18.129 16.632 15.327 14.179 13.158 12.242 11.411 10.646 9.932 9.254 8.598 7.951 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.196 21.880 19.870 18.140 16.644 15.340 14.193 13.174 12.260 11.432 10.671 9.964 9.294 8.649 7.988 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.199 21.887 19.879 18.150 16.655 15.352 14.207 13.190 12.278 11.452 10.695 9.994 9.334 8.701 8.049 9.777 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.201 21.893 19.887 18.159 16.666 15.364 14.220 13.204 12.294 11.471 10.718 10.022 9.371 8.750 8.118 8.302 8.838 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.202 21.899 19.895 18.168 16.676 15.375 14.232 13.218 12.310 11.489 10.739 10.049 9.405 8.797 8.186 7.963 8.089 8.390 8.858 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.202 21.903 19.901 18.176 16.685 15.386 14.244 13.231 12.325 11.506 10.760 10.074 9.438 8.841 8.251 7.825 7.821 7.899 8.082 8.357 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.201 21.907 19.908 18.184 16.694 15.395 14.255 13.244 12.339 11.523 10.780 10.098 9.469 8.881 8.311 7.758 7.696 7.681 7.726 7.837 8.006 8.197 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.199 21.910 19.913 18.191 16.702 15.405 14.265 13.256 12.353 11.538 10.798 10.121 9.497 8.919 8.365 7.724 7.631 7.569 7.544 7.563 7.628 7.731 7.854 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.197 21.913 19.918 18.197 16.709 15.413 14.275 13.267 12.366 11.554 10.816 10.142 9.524 8.953 8.414 7.709 7.597 7.507 7.443 7.410 7.409 7.442 7.503 7.579 7.656 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.193 21.915 19.922 18.203 16.716 15.421 14.285 13.278 12.378 11.568 10.833 10.162 9.548 8.984 8.458 7.704 7.580 7.473 7.385 7.320 7.278 7.263 7.273 7.305 7.349 7.399 7.445 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.189 21.916 19.926 18.208 16.723 15.429 14.294 13.288 12.390 11.582 10.849 10.181 9.571 9.012 8.495 7.706 7.574 7.456 7.352 7.266 7.198 7.151 7.125 7.118 7.128 7.151 7.180 7.211 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.184 21.916 19.928 18.213 16.728 15.436 14.302 13.298 12.401 11.595 10.864 10.199 9.592 9.037 8.528 7.713 7.575 7.449 7.334 7.234 7.148 7.079 7.027 6.992 6.974 6.969 6.975 6.990 7.008 7.030 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.178 21.916 19.931 18.217 16.734 15.443 14.310 13.307 12.412 11.607 10.879 10.216 9.612 9.060 8.556 7.724 7.581 7.449 7.327 7.216 7.118 7.034 6.963 6.907 6.866 6.838 6.822 6.817 6.820 6.830 6.844 99999.999 99999.999 99999.999 99999.999 99999.999 24.171 21.915 19.933 18.220 16.739 15.449 14.317 13.316 12.422 11.619 10.893 10.232 9.630 9.081 8.581 7.736 7.590 7.453 7.326 7.208 7.101 7.006 6.922 6.850 6.791 6.745 6.711 6.687 6.673 6.668 6.669 6.678 6.692 99999.999 99999.999 99999.999 24.164 21.913 19.934 18.223 16.743 15.454 14.324 13.324 12.432 11.631 10.906 10.247 9.647 9.100 8.602 7.750 7.602 7.462 7.330 7.207 7.094 6.990 6.896 6.813 6.741 6.680 6.629 6.590 6.560 6.540 6.528 6.524 6.527 6.537 99999.999 99999.999 24.156 21.911 19.935 18.226 16.747 15.460 14.330 13.332 12.441 11.642 10.919 10.262 9.663 9.118 8.621 7.764 7.615 7.472 7.338 7.211 7.092 6.982 6.881 6.789 6.706 6.634 6.571 6.519 6.476 6.442 6.416 6.399 6.390 6.389 6.395 6.409 24.147 21.908 19.935 18.228 16.750 15.464 14.336 13.339 12.450 11.652 10.931 10.275 9.679 9.134 8.638 7.780 7.629 7.485 7.348 7.218 7.095 6.980 6.873 6.775 6.685 6.603 6.531 6.467 6.413 6.367 6.329 6.300 6.279 6.266 6.261 6.263 24.026 21.853 19.911 18.225 16.762 15.490 14.374 13.390 12.515 11.732 11.026 10.387 9.805 9.275 8.789 7.938 7.784 7.636 7.493 7.354 7.220 7.091 6.966 6.845 6.728 6.616 6.508 6.404 6.304 6.208 6.116 6.029 5.946 5.866 5.791 5.721 23.853 21.753 19.848 18.184 16.740 15.481 14.379 13.407 12.546 11.776 11.084 10.459 9.892 9.375 8.902 8.071 7.921 7.776 7.635 7.498 7.366 7.237 7.113 6.992 6.874 6.760 6.649 6.541 6.436 6.333 6.234 6.137 6.043 5.951 5.862 5.776 23.637 21.617 19.752 18.115 16.689 15.446 14.357 13.398 12.549 11.792 11.113 10.501 9.947 9.442 8.982 8.174 8.028 7.887 7.750 7.617 7.488 7.363 7.242 7.124 7.009 6.898 6.789 6.683 6.580 6.479 6.381 6.285 6.191 6.100 6.010 5.922 23.388 21.452 19.631 18.021 16.616 15.389 14.314 13.368 12.531 11.786 11.119 10.519 9.977 9.485 9.036 8.250 8.108 7.971 7.838 7.709 7.585 7.463 7.346 7.232 7.121 7.013 6.908 6.805 6.705 6.608 6.513 6.420 6.329 6.240 6.153 6.068 23.111 21.264 19.488 17.907 16.523 15.314 14.254 13.321 12.495 11.762 11.106 10.518 9.987 9.506 9.068 8.303 8.165 8.032 7.903 7.778 7.658 7.540 7.427 7.316 7.209 7.105 7.003 6.904 6.808 6.714 6.623 6.534 6.446 6.361 6.277 6.195 22.810 21.055 19.326 17.776 16.415 15.223 14.178 13.258 12.445 11.723 11.078 10.501 9.980 9.510 9.083 8.337 8.203 8.074 7.949 7.828 7.710 7.597 7.487 7.380 7.276 7.175 7.078 6.982 6.890 6.799 6.711 6.625 6.542 6.460 6.379 6.301 22.489 20.828 19.149 17.631 16.292 15.119 14.089 13.183 12.382 11.671 11.037 10.470 9.960 9.499 9.082 8.355 8.225 8.099 7.977 7.860 7.746 7.636 7.529 7.426 7.325 7.228 7.134 7.042 6.952 6.865 6.780 6.698 6.617 6.538 6.461 6.386 99999.999 20.587 18.957 17.472 16.158 15.004 13.990 13.097 12.308 11.608 10.985 10.427 9.927 9.476 9.068 8.359 8.232 8.110 7.992 7.877 7.767 7.660 7.557 7.456 7.359 7.265 7.173 7.085 6.998 6.914 6.833 6.753 6.675 6.600 6.526 6.453 akimotoite-Fe FeSiO3 P-T:All Wt.(g/mol) = 131.927 V(cc/mol) = 27.600 D(g/cc) = 4.780 Ref: H&P2011 4 1.000 11 1.000 7 -1.000 2 -2.000 1 19.380 17.448 15.766 14.313 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.380 17.448 15.766 14.313 13.051 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.380 17.448 15.766 14.313 13.052 11.946 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.380 17.449 15.767 14.314 13.052 11.947 10.969 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.381 17.450 15.768 14.315 13.054 11.949 10.971 10.096 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.383 17.452 15.770 14.318 13.056 11.951 10.973 10.099 9.307 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.385 17.455 15.773 14.321 13.059 11.954 10.977 10.103 9.312 8.587 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.387 17.458 15.778 14.325 13.064 11.959 10.982 10.108 9.318 8.594 7.918 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.391 17.464 15.783 14.331 13.070 11.966 10.989 10.116 9.327 8.604 7.930 7.288 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.396 17.470 15.791 14.339 13.079 11.975 10.999 10.126 9.338 8.617 7.945 7.307 6.690 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.401 17.478 15.800 14.349 13.089 11.986 11.011 10.140 9.353 8.633 7.965 7.332 6.720 6.128 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.408 17.488 15.812 14.361 13.102 12.000 11.026 10.156 9.371 8.654 7.989 7.362 6.759 6.169 5.630 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.412 17.496 15.820 14.371 13.112 12.010 11.037 10.168 9.384 8.669 8.008 7.385 6.788 6.205 5.616 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.417 17.505 15.831 14.383 13.125 12.025 11.052 10.185 9.403 8.691 8.033 7.416 6.829 6.256 5.658 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.422 17.514 15.842 14.395 13.138 12.038 11.067 10.201 9.421 8.711 8.057 7.446 6.867 6.307 5.721 7.160 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.425 17.522 15.852 14.406 13.150 12.051 11.081 10.217 9.438 8.731 8.080 7.475 6.904 6.355 5.789 5.919 6.361 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.427 17.529 15.861 14.416 13.161 12.064 11.095 10.231 9.455 8.749 8.102 7.502 6.938 6.401 5.855 5.638 5.734 5.976 6.351 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.428 17.535 15.869 14.426 13.172 12.075 11.107 10.246 9.471 8.767 8.123 7.527 6.971 6.444 5.918 5.526 5.514 5.569 5.711 5.926 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.429 17.540 15.877 14.435 13.182 12.086 11.120 10.259 9.486 8.785 8.143 7.551 7.001 6.484 5.977 5.475 5.414 5.391 5.418 5.499 5.626 5.765 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.428 17.545 15.884 14.443 13.191 12.097 11.131 10.272 9.500 8.801 8.162 7.574 7.030 6.521 6.030 5.452 5.364 5.302 5.271 5.275 5.318 5.390 5.474 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.426 17.549 15.890 14.451 13.200 12.106 11.142 10.284 9.514 8.817 8.180 7.596 7.056 6.555 6.078 5.444 5.341 5.255 5.192 5.153 5.141 5.157 5.193 5.241 5.285 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.424 17.552 15.895 14.458 13.208 12.116 11.153 10.296 9.527 8.832 8.198 7.616 7.081 6.585 6.120 5.445 5.332 5.232 5.148 5.083 5.038 5.014 5.010 5.023 5.045 5.069 5.087 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.421 17.554 15.900 14.464 13.216 12.125 11.163 10.307 9.540 8.846 8.214 7.635 7.103 6.613 6.157 5.452 5.332 5.222 5.126 5.043 4.976 4.926 4.892 4.875 4.870 4.875 4.883 4.892 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.417 17.556 15.905 14.470 13.223 12.133 11.172 10.318 9.552 8.860 8.230 7.654 7.125 6.639 6.190 5.463 5.337 5.222 5.116 5.022 4.940 4.872 4.817 4.777 4.749 4.732 4.724 4.722 4.722 4.723 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.412 17.557 15.908 14.475 13.230 12.140 11.181 10.328 9.564 8.873 8.245 7.671 7.145 6.662 6.218 5.476 5.347 5.227 5.115 5.012 4.920 4.839 4.770 4.712 4.666 4.631 4.606 4.589 4.578 4.571 4.569 99999.999 99999.999 99999.999 99999.999 99999.999 19.407 17.557 15.912 14.480 13.236 12.148 11.189 10.338 9.575 8.886 8.259 7.687 7.163 6.683 6.242 5.490 5.359 5.235 5.119 5.011 4.911 4.821 4.741 4.670 4.610 4.560 4.520 4.488 4.465 4.447 4.436 4.430 4.428 99999.999 99999.999 99999.999 19.401 17.557 15.914 14.485 13.241 12.154 11.197 10.347 9.585 8.898 8.273 7.703 7.181 6.702 6.264 5.506 5.373 5.247 5.127 5.015 4.910 4.813 4.724 4.644 4.574 4.512 4.459 4.415 4.379 4.350 4.328 4.312 4.303 4.299 99999.999 99999.999 19.394 17.556 15.916 14.488 13.246 12.161 11.204 10.355 9.595 8.909 8.286 7.718 7.197 6.720 6.283 5.523 5.388 5.260 5.138 5.022 4.913 4.811 4.717 4.630 4.551 4.480 4.417 4.362 4.315 4.276 4.243 4.218 4.199 4.187 4.181 4.181 19.386 17.555 15.918 14.492 13.251 12.167 11.211 10.364 9.605 8.920 8.299 7.732 7.213 6.737 6.301 5.540 5.404 5.275 5.151 5.033 4.921 4.815 4.716 4.623 4.538 4.460 4.389 4.325 4.269 4.220 4.178 4.143 4.115 4.094 4.078 4.070 19.275 17.511 15.907 14.501 13.275 12.202 11.259 10.423 9.677 9.007 8.400 7.848 7.344 6.881 6.457 5.705 5.569 5.437 5.309 5.185 5.065 4.948 4.835 4.726 4.620 4.517 4.418 4.322 4.230 4.141 4.056 3.974 3.896 3.821 3.749 3.682 19.110 17.423 15.855 14.472 13.263 12.204 11.273 10.449 9.715 9.057 8.464 7.925 7.434 6.984 6.572 5.842 5.709 5.580 5.455 5.334 5.216 5.101 4.989 4.880 4.775 4.671 4.571 4.473 4.377 4.284 4.193 4.105 4.018 3.934 3.852 3.771 18.902 17.298 15.771 14.413 13.222 12.179 11.260 10.448 9.726 9.080 8.498 7.972 7.493 7.056 6.655 5.947 5.818 5.693 5.572 5.454 5.340 5.229 5.121 5.015 4.913 4.813 4.715 4.620 4.526 4.435 4.346 4.259 4.174 4.090 4.008 3.927 18.661 17.143 15.660 14.330 13.159 12.131 11.226 10.426 9.716 9.081 8.510 7.995 7.528 7.102 6.712 6.025 5.900 5.779 5.662 5.548 5.438 5.330 5.226 5.124 5.025 4.929 4.835 4.743 4.653 4.566 4.480 4.396 4.314 4.233 4.154 4.076 18.390 16.964 15.527 14.226 13.076 12.065 11.174 10.386 9.687 9.063 8.503 7.999 7.542 7.127 6.747 6.080 5.959 5.842 5.729 5.619 5.512 5.408 5.308 5.210 5.114 5.021 4.931 4.843 4.756 4.672 4.590 4.510 4.431 4.353 4.278 4.203 18.096 16.764 15.374 14.104 12.977 11.983 11.106 10.331 9.643 9.030 8.481 7.987 7.540 7.134 6.765 6.116 5.999 5.886 5.776 5.669 5.566 5.466 5.369 5.274 5.182 5.093 5.006 4.921 4.838 4.757 4.678 4.601 4.526 4.452 4.379 4.308 17.781 16.546 15.206 13.968 12.863 11.887 11.026 10.264 9.587 8.985 8.445 7.961 7.524 7.128 6.767 6.137 6.023 5.913 5.806 5.703 5.603 5.507 5.413 5.321 5.232 5.146 5.062 4.981 4.901 4.823 4.747 4.673 4.601 4.530 4.461 4.393 99999.999 16.313 15.024 13.818 12.737 11.780 10.934 10.185 9.520 8.928 8.399 7.924 7.496 7.109 6.757 6.143 6.033 5.926 5.823 5.723 5.626 5.532 5.441 5.353 5.267 5.184 5.103 5.024 4.948 4.873 4.800 4.729 4.659 4.591 4.525 4.460 albite-high NaAlSi3O8 P-T:All Wt.(g/mol) = 262.220 V(cc/mol) = 101.050 D(g/cc) = 2.595 Ref: H&P2011 5 1.000 13 1.000 8 3.000 7 -4.000 2 -4.000 1 4.972 3.775 2.607 1.559 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.972 3.775 2.607 1.559 0.636 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.973 3.776 2.608 1.560 0.638 -0.177 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.975 3.779 2.611 1.563 0.640 -0.174 -0.901 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.979 3.784 2.616 1.568 0.645 -0.169 -0.896 -1.555 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.985 3.791 2.623 1.576 0.653 -0.161 -0.888 -1.546 -2.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.994 3.802 2.635 1.587 0.665 -0.149 -0.875 -1.533 -2.141 -2.717 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.007 3.817 2.651 1.604 0.681 -0.132 -0.858 -1.515 -2.121 -2.695 -3.259 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.024 3.837 2.672 1.626 0.704 -0.109 -0.834 -1.490 -2.094 -2.666 -3.226 -3.797 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.046 3.864 2.701 1.655 0.734 -0.078 -0.802 -1.457 -2.059 -2.627 -3.182 -3.746 -4.333 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.074 3.899 2.737 1.693 0.772 -0.039 -0.762 -1.414 -2.014 -2.578 -3.126 -3.680 -4.254 -4.835 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.107 3.941 2.783 1.739 0.820 0.010 -0.711 -1.361 -1.957 -2.516 -3.056 -3.596 -4.154 -4.735 -5.214 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.132 3.973 2.817 1.775 0.856 0.047 -0.672 -1.320 -1.914 -2.469 -3.003 -3.534 -4.078 -4.649 -5.260 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.164 4.016 2.864 1.824 0.906 0.098 -0.619 -1.264 -1.854 -2.404 -2.929 -3.447 -3.971 -4.521 -5.169 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.194 4.057 2.909 1.870 0.954 0.148 -0.567 -1.209 -1.796 -2.340 -2.858 -3.363 -3.869 -4.394 -5.023 0.197 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.221 4.095 2.952 1.915 1.001 0.196 -0.517 -1.157 -1.739 -2.279 -2.790 -3.283 -3.771 -4.271 -4.861 -3.103 -1.646 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.246 4.132 2.992 1.958 1.045 0.242 -0.469 -1.106 -1.685 -2.221 -2.724 -3.207 -3.679 -4.154 -4.700 -3.833 -3.303 -2.381 -1.061 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.268 4.166 3.031 1.999 1.088 0.287 -0.422 -1.057 -1.633 -2.164 -2.661 -3.134 -3.591 -4.043 -4.546 -4.120 -3.877 -3.458 -2.809 -1.941 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.287 4.198 3.068 2.039 1.129 0.330 -0.377 -1.009 -1.582 -2.109 -2.600 -3.064 -3.507 -3.939 -4.401 -4.251 -4.135 -3.924 -3.588 -3.104 -2.487 -1.809 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.304 4.228 3.103 2.076 1.169 0.371 -0.334 -0.963 -1.533 -2.056 -2.542 -2.997 -3.429 -3.842 -4.269 -4.309 -4.262 -4.156 -3.974 -3.700 -3.326 -2.865 -2.357 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.319 4.256 3.136 2.113 1.207 0.411 -0.292 -0.919 -1.486 -2.005 -2.485 -2.934 -3.354 -3.752 -4.148 -4.327 -4.321 -4.276 -4.181 -4.024 -3.799 -3.503 -3.147 -2.752 -2.353 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.332 4.282 3.168 2.147 1.243 0.449 -0.252 -0.876 -1.440 -1.955 -2.431 -2.873 -3.284 -3.669 -4.040 -4.321 -4.343 -4.335 -4.293 -4.208 -4.075 -3.888 -3.650 -3.366 -3.052 -2.726 -2.406 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.342 4.306 3.198 2.180 1.278 0.486 -0.213 -0.835 -1.396 -1.907 -2.378 -2.815 -3.219 -3.592 -3.943 -4.300 -4.340 -4.358 -4.350 -4.312 -4.237 -4.124 -3.968 -3.773 -3.542 -3.286 -3.016 -2.741 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.350 4.329 3.226 2.211 1.312 0.522 -0.175 -0.795 -1.353 -1.861 -2.328 -2.759 -3.156 -3.521 -3.857 -4.269 -4.323 -4.359 -4.374 -4.367 -4.332 -4.268 -4.171 -4.041 -3.878 -3.688 -3.475 -3.246 -3.008 -2.765 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.356 4.349 3.253 2.241 1.344 0.556 -0.139 -0.756 -1.311 -1.816 -2.279 -2.706 -3.098 -3.456 -3.780 -4.232 -4.295 -4.343 -4.376 -4.390 -4.384 -4.354 -4.298 -4.216 -4.106 -3.970 -3.810 -3.629 -3.433 -3.225 -3.006 99999.999 99999.999 99999.999 99999.999 99999.999 5.361 4.368 3.278 2.270 1.375 0.589 -0.104 -0.719 -1.271 -1.773 -2.232 -2.654 -3.042 -3.395 -3.712 -4.190 -4.260 -4.318 -4.363 -4.393 -4.406 -4.401 -4.376 -4.328 -4.258 -4.165 -4.049 -3.913 -3.758 -3.587 -3.403 -3.206 -2.997 99999.999 99999.999 99999.999 5.363 4.385 3.301 2.297 1.404 0.620 -0.070 -0.683 -1.232 -1.731 -2.187 -2.605 -2.989 -3.338 -3.651 -4.145 -4.220 -4.285 -4.339 -4.381 -4.409 -4.423 -4.419 -4.398 -4.357 -4.297 -4.218 -4.119 -4.001 -3.867 -3.716 -3.552 -3.373 -3.181 99999.999 99999.999 5.363 4.401 3.323 2.322 1.433 0.650 -0.038 -0.648 -1.195 -1.690 -2.143 -2.558 -2.938 -3.284 -3.595 -4.098 -4.177 -4.247 -4.308 -4.359 -4.398 -4.425 -4.438 -4.437 -4.419 -4.385 -4.334 -4.265 -4.180 -4.077 -3.959 -3.826 -3.678 -3.516 -3.339 -3.148 5.361 4.415 3.344 2.347 1.459 0.680 -0.007 -0.614 -1.159 -1.651 -2.100 -2.512 -2.889 -3.233 -3.542 -4.050 -4.132 -4.206 -4.272 -4.330 -4.378 -4.415 -4.441 -4.454 -4.454 -4.440 -4.411 -4.367 -4.308 -4.233 -4.143 -4.039 -3.919 -3.786 -3.638 -3.476 5.253 4.477 3.480 2.525 1.667 0.911 0.247 -0.337 -0.856 -1.320 -1.739 -2.120 -2.467 -2.783 -3.071 -3.569 -3.657 -3.741 -3.821 -3.898 -3.972 -4.042 -4.108 -4.171 -4.230 -4.285 -4.336 -4.383 -4.426 -4.464 -4.498 -4.527 -4.550 -4.568 -4.581 -4.588 5.004 4.417 3.508 2.603 1.780 1.051 0.412 -0.149 -0.644 -1.082 -1.474 -1.827 -2.146 -2.436 -2.699 -3.155 -3.236 -3.314 -3.390 -3.463 -3.534 -3.602 -3.668 -3.732 -3.794 -3.854 -3.912 -3.968 -4.023 -4.076 -4.127 -4.176 -4.224 -4.270 -4.315 -4.357 4.641 4.260 3.447 2.600 1.816 1.118 0.505 -0.032 -0.503 -0.917 -1.284 -1.612 -1.905 -2.169 -2.408 -2.818 -2.891 -2.961 -3.029 -3.094 -3.157 -3.218 -3.278 -3.335 -3.391 -3.446 -3.499 -3.551 -3.602 -3.652 -3.701 -3.749 -3.797 -3.843 -3.889 -3.935 4.186 4.024 3.315 2.530 1.790 1.125 0.539 0.027 -0.420 -0.811 -1.154 -1.458 -1.727 -1.968 -2.183 -2.548 -2.613 -2.674 -2.734 -2.791 -2.846 -2.899 -2.951 -3.001 -3.049 -3.096 -3.142 -3.187 -3.231 -3.274 -3.317 -3.358 -3.400 -3.441 -3.481 -3.522 3.654 3.720 3.122 2.404 1.711 1.082 0.526 0.039 -0.384 -0.752 -1.074 -1.355 -1.602 -1.820 -2.012 -2.336 -2.392 -2.445 -2.497 -2.546 -2.593 -2.639 -2.682 -2.724 -2.765 -2.805 -2.843 -2.880 -2.917 -2.952 -2.987 -3.022 -3.056 -3.090 -3.123 -3.157 3.059 3.361 2.878 2.231 1.587 0.996 0.470 0.011 -0.388 -0.734 -1.034 -1.293 -1.519 -1.716 -1.888 -2.171 -2.219 -2.265 -2.309 -2.350 -2.390 -2.428 -2.464 -2.499 -2.532 -2.565 -2.596 -2.626 -2.655 -2.683 -2.711 -2.738 -2.765 -2.792 -2.818 -2.844 2.409 2.953 2.590 2.017 1.425 0.873 0.380 -0.052 -0.427 -0.751 -1.029 -1.268 -1.473 -1.650 -1.802 -2.047 -2.088 -2.126 -2.163 -2.197 -2.230 -2.261 -2.290 -2.318 -2.344 -2.370 -2.394 -2.417 -2.439 -2.461 -2.482 -2.503 -2.523 -2.543 -2.562 -2.582 99999.999 2.504 2.264 1.767 1.229 0.718 0.258 -0.146 -0.496 -0.797 -1.054 -1.273 -1.459 -1.616 -1.750 -1.958 -1.992 -2.024 -2.053 -2.081 -2.107 -2.131 -2.153 -2.175 -2.195 -2.214 -2.231 -2.248 -2.264 -2.280 -2.294 -2.309 -2.323 -2.336 -2.350 -2.363 albite NaAlSi3O8 P-T:All Wt.(g/mol) = 262.220 V(cc/mol) = 100.670 D(g/cc) = 2.605 Ref: H&P2011 5 1.000 13 1.000 8 3.000 7 -4.000 2 -4.000 1 3.177 2.205 1.227 0.341 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.177 2.205 1.227 0.341 -0.441 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.178 2.206 1.228 0.343 -0.439 -1.131 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.181 2.209 1.231 0.346 -0.437 -1.128 -1.747 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.184 2.214 1.236 0.350 -0.432 -1.123 -1.741 -2.304 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.191 2.221 1.243 0.358 -0.424 -1.115 -1.733 -2.295 -2.817 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.199 2.231 1.254 0.370 -0.412 -1.103 -1.721 -2.282 -2.804 -3.302 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.212 2.247 1.270 0.386 -0.396 -1.086 -1.703 -2.264 -2.784 -3.281 -3.774 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.229 2.267 1.292 0.408 -0.373 -1.063 -1.679 -2.239 -2.757 -3.251 -3.741 -4.249 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.251 2.294 1.320 0.437 -0.344 -1.033 -1.648 -2.206 -2.722 -3.213 -3.698 -4.197 -4.726 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.278 2.328 1.357 0.474 -0.306 -0.994 -1.608 -2.164 -2.677 -3.164 -3.642 -4.131 -4.648 -5.175 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.312 2.370 1.402 0.521 -0.258 -0.945 -1.557 -2.110 -2.620 -3.102 -3.572 -4.048 -4.548 -5.076 -5.505 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.336 2.401 1.436 0.556 -0.222 -0.908 -1.519 -2.070 -2.577 -3.055 -3.519 -3.986 -4.472 -4.990 -5.552 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.368 2.444 1.482 0.604 -0.172 -0.857 -1.465 -2.014 -2.517 -2.990 -3.445 -3.899 -4.365 -4.862 -5.461 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.398 2.485 1.527 0.651 -0.124 -0.807 -1.414 -1.960 -2.460 -2.927 -3.375 -3.816 -4.263 -4.735 -5.314 -0.007 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.424 2.523 1.569 0.696 -0.078 -0.759 -1.364 -1.907 -2.404 -2.866 -3.306 -3.736 -4.166 -4.612 -5.153 -3.307 -1.835 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.449 2.559 1.610 0.738 -0.034 -0.714 -1.316 -1.857 -2.350 -2.807 -3.241 -3.660 -4.073 -4.495 -4.992 -4.038 -3.492 -2.554 -1.219 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.470 2.593 1.648 0.779 0.009 -0.669 -1.270 -1.808 -2.298 -2.751 -3.178 -3.587 -3.985 -4.384 -4.838 -4.325 -4.066 -3.632 -2.968 -2.085 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.489 2.625 1.685 0.818 0.050 -0.627 -1.225 -1.761 -2.247 -2.696 -3.117 -3.517 -3.902 -4.280 -4.694 -4.456 -4.324 -4.098 -3.746 -3.248 -2.617 -1.925 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.506 2.654 1.720 0.856 0.089 -0.586 -1.182 -1.715 -2.198 -2.643 -3.059 -3.451 -3.824 -4.183 -4.561 -4.514 -4.451 -4.330 -4.133 -3.844 -3.456 -2.981 -2.459 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.520 2.682 1.753 0.891 0.127 -0.546 -1.140 -1.671 -2.151 -2.592 -3.002 -3.387 -3.750 -4.094 -4.441 -4.532 -4.511 -4.450 -4.339 -4.169 -3.929 -3.620 -3.249 -2.842 -2.430 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.533 2.708 1.784 0.926 0.163 -0.508 -1.100 -1.628 -2.106 -2.543 -2.948 -3.326 -3.680 -4.011 -4.332 -4.526 -4.532 -4.509 -4.452 -4.353 -4.205 -4.005 -3.753 -3.456 -3.129 -2.791 -2.459 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.543 2.732 1.813 0.958 0.198 -0.471 -1.061 -1.587 -2.061 -2.495 -2.896 -3.268 -3.614 -3.934 -4.236 -4.506 -4.530 -4.533 -4.510 -4.456 -4.368 -4.240 -4.072 -3.863 -3.620 -3.351 -3.069 -2.782 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.550 2.754 1.841 0.989 0.231 -0.436 -1.024 -1.547 -2.019 -2.449 -2.846 -3.213 -3.552 -3.863 -4.150 -4.475 -4.512 -4.533 -4.534 -4.511 -4.463 -4.385 -4.274 -4.131 -3.956 -3.753 -3.528 -3.287 -3.038 -2.784 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.556 2.774 1.868 1.019 0.263 -0.402 -0.988 -1.509 -1.978 -2.405 -2.797 -3.160 -3.494 -3.798 -4.074 -4.438 -4.485 -4.518 -4.536 -4.535 -4.514 -4.471 -4.402 -4.306 -4.184 -4.035 -3.863 -3.671 -3.463 -3.243 -3.014 99999.999 99999.999 99999.999 99999.999 99999.999 3.560 2.792 1.892 1.047 0.293 -0.370 -0.953 -1.472 -1.938 -2.361 -2.750 -3.109 -3.438 -3.737 -4.006 -4.396 -4.450 -4.493 -4.523 -4.538 -4.537 -4.518 -4.479 -4.419 -4.336 -4.230 -4.102 -3.954 -3.788 -3.606 -3.411 -3.203 -2.984 99999.999 99999.999 99999.999 3.562 2.809 1.916 1.074 0.323 -0.338 -0.920 -1.436 -1.899 -2.320 -2.705 -3.060 -3.385 -3.681 -3.945 -4.351 -4.410 -4.460 -4.499 -4.526 -4.540 -4.540 -4.523 -4.488 -4.435 -4.363 -4.271 -4.160 -4.031 -3.885 -3.724 -3.549 -3.360 -3.158 99999.999 99999.999 3.562 2.825 1.937 1.099 0.351 -0.308 -0.888 -1.401 -1.862 -2.279 -2.661 -3.013 -3.335 -3.627 -3.889 -4.305 -4.368 -4.422 -4.468 -4.504 -4.530 -4.543 -4.542 -4.528 -4.497 -4.451 -4.387 -4.307 -4.210 -4.096 -3.967 -3.823 -3.665 -3.492 -3.306 -3.105 3.560 2.838 1.958 1.123 0.377 -0.279 -0.857 -1.368 -1.826 -2.240 -2.619 -2.967 -3.286 -3.576 -3.836 -4.257 -4.323 -4.381 -4.433 -4.475 -4.509 -4.532 -4.545 -4.545 -4.532 -4.506 -4.465 -4.409 -4.338 -4.252 -4.151 -4.036 -3.906 -3.763 -3.605 -3.434 3.448 2.897 2.091 1.299 0.582 -0.050 -0.605 -1.093 -1.525 -1.911 -2.260 -2.577 -2.865 -3.128 -3.367 -3.777 -3.849 -3.917 -3.983 -4.045 -4.104 -4.160 -4.213 -4.263 -4.309 -4.352 -4.391 -4.426 -4.457 -4.485 -4.507 -4.525 -4.538 -4.546 -4.549 -4.546 3.195 2.834 2.115 1.374 0.692 0.087 -0.443 -0.907 -1.315 -1.675 -1.997 -2.286 -2.547 -2.783 -2.996 -3.364 -3.429 -3.492 -3.553 -3.611 -3.668 -3.722 -3.775 -3.825 -3.875 -3.922 -3.968 -4.012 -4.055 -4.097 -4.137 -4.176 -4.213 -4.249 -4.284 -4.317 2.828 2.674 2.052 1.368 0.726 0.151 -0.353 -0.792 -1.176 -1.512 -1.809 -2.072 -2.307 -2.518 -2.706 -3.029 -3.086 -3.140 -3.193 -3.244 -3.293 -3.340 -3.386 -3.430 -3.473 -3.516 -3.557 -3.597 -3.636 -3.675 -3.713 -3.750 -3.787 -3.824 -3.860 -3.896 2.370 2.434 1.916 1.295 0.697 0.156 -0.320 -0.735 -1.095 -1.408 -1.681 -1.920 -2.131 -2.318 -2.483 -2.761 -2.809 -2.855 -2.900 -2.942 -2.983 -3.022 -3.060 -3.097 -3.133 -3.167 -3.201 -3.234 -3.266 -3.298 -3.330 -3.361 -3.391 -3.422 -3.453 -3.483 1.835 2.127 1.721 1.167 0.615 0.110 -0.336 -0.725 -1.061 -1.352 -1.602 -1.819 -2.007 -2.171 -2.314 -2.549 -2.590 -2.628 -2.664 -2.698 -2.731 -2.763 -2.793 -2.822 -2.850 -2.877 -2.903 -2.928 -2.953 -2.978 -3.002 -3.025 -3.049 -3.072 -3.096 -3.119 1.236 1.764 1.474 0.991 0.489 0.022 -0.394 -0.756 -1.068 -1.336 -1.564 -1.759 -1.926 -2.069 -2.191 -2.386 -2.418 -2.449 -2.477 -2.504 -2.530 -2.554 -2.576 -2.598 -2.618 -2.638 -2.657 -2.675 -2.693 -2.710 -2.727 -2.743 -2.759 -2.776 -2.792 -2.808 0.582 1.353 1.182 0.774 0.324 -0.103 -0.487 -0.821 -1.109 -1.354 -1.561 -1.736 -1.882 -2.005 -2.107 -2.264 -2.289 -2.312 -2.333 -2.352 -2.371 -2.388 -2.403 -2.418 -2.431 -2.444 -2.456 -2.468 -2.478 -2.489 -2.499 -2.508 -2.518 -2.528 -2.537 -2.547 99999.999 0.900 0.853 0.521 0.125 -0.261 -0.611 -0.917 -1.180 -1.402 -1.588 -1.742 -1.869 -1.973 -2.056 -2.176 -2.194 -2.210 -2.224 -2.237 -2.249 -2.259 -2.268 -2.276 -2.283 -2.290 -2.295 -2.300 -2.304 -2.308 -2.312 -2.316 -2.319 -2.322 -2.326 -2.329 almandine Fe3Al2Si3O12 Ssln ID, Coef: 16 3.000 P-T:All Wt.(g/mol) = 497.760 V(cc/mol) = 115.250 D(g/cc) = 4.319 Ref: H&P2011 4 3.000 11 2.000 8 3.000 7 -12.000 1 47.751 40.637 34.426 29.039 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.751 40.637 34.426 29.039 24.338 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.753 40.640 34.428 29.042 24.341 20.193 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.758 40.645 34.433 29.047 24.346 20.198 16.491 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.765 40.653 34.442 29.056 24.355 20.208 16.501 13.144 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.777 40.667 34.456 29.070 24.369 20.222 16.516 13.160 10.079 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.795 40.687 34.476 29.091 24.391 20.244 16.539 13.185 10.106 7.231 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.821 40.715 34.506 29.120 24.421 20.275 16.572 13.220 10.144 7.274 4.532 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.855 40.754 34.545 29.161 24.462 20.317 16.617 13.268 10.197 7.333 4.601 1.930 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.901 40.804 34.598 29.214 24.516 20.373 16.675 13.331 10.266 7.410 4.693 2.042 -0.579 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.958 40.869 34.665 29.282 24.586 20.445 16.751 13.412 10.354 7.509 4.809 2.186 -0.407 -2.888 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.028 40.950 34.749 29.368 24.673 20.536 16.846 13.514 10.465 7.634 4.956 2.367 -0.183 -2.693 -4.669 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.080 41.011 34.812 29.433 24.740 20.605 16.919 13.591 10.549 7.728 5.066 2.503 -0.011 -2.506 -4.962 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.151 41.095 34.901 29.523 24.832 20.701 17.019 13.699 10.667 7.860 5.220 2.693 0.231 -2.215 -4.837 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.218 41.175 34.985 29.610 24.922 20.793 17.117 13.804 10.781 7.987 5.368 2.875 0.463 -1.919 -4.513 11.797 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.281 41.252 35.067 29.695 25.008 20.883 17.212 13.905 10.891 8.110 5.510 3.049 0.685 -1.629 -4.128 0.693 5.401 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.339 41.325 35.145 29.776 25.092 20.970 17.304 14.003 10.997 8.228 5.647 3.214 0.896 -1.351 -3.731 -1.909 -0.288 2.653 6.941 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.393 41.394 35.221 29.854 25.173 21.055 17.392 14.098 11.101 8.343 5.779 3.373 1.095 -1.089 -3.349 -3.019 -2.369 -1.117 0.920 3.708 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.444 41.461 35.293 29.930 25.251 21.136 17.478 14.190 11.201 8.454 5.906 3.523 1.283 -0.845 -2.991 -3.599 -3.385 -2.838 -1.856 -0.368 1.582 3.756 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.491 41.524 35.363 30.003 25.327 21.215 17.562 14.280 11.298 8.561 6.027 3.666 1.458 -0.619 -2.664 -3.925 -3.949 -3.763 -3.310 -2.536 -1.414 0.014 1.617 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.534 41.585 35.430 30.073 25.400 21.292 17.643 14.367 11.392 8.665 6.144 3.803 1.622 -0.412 -2.370 -4.109 -4.280 -4.306 -4.151 -3.782 -3.169 -2.308 -1.229 -0.014 1.232 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.574 41.642 35.494 30.141 25.471 21.366 17.721 14.451 11.484 8.766 6.257 3.932 1.776 -0.224 -2.111 -4.207 -4.475 -4.636 -4.667 -4.545 -4.250 -3.766 -3.096 -2.264 -1.321 -0.330 0.648 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.610 41.697 35.555 30.206 25.539 21.438 17.797 14.532 11.572 8.863 6.366 4.056 1.919 -0.053 -1.885 -4.248 -4.584 -4.837 -4.991 -5.031 -4.943 -4.711 -4.331 -3.806 -3.155 -2.410 -1.610 -0.792 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.644 41.748 35.614 30.269 25.606 21.507 17.871 14.611 11.658 8.957 6.471 4.173 2.052 0.103 -1.689 -4.252 -4.637 -4.954 -5.194 -5.346 -5.398 -5.340 -5.164 -4.868 -4.455 -3.940 -3.343 -2.689 -2.000 -1.293 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.673 41.797 35.671 30.330 25.670 21.575 17.943 14.688 11.742 9.049 6.572 4.285 2.178 0.244 -1.520 -4.228 -4.649 -5.014 -5.317 -5.548 -5.701 -5.766 -5.736 -5.608 -5.379 -5.055 -4.644 -4.161 -3.620 -3.035 -2.418 99999.999 99999.999 99999.999 99999.999 99999.999 48.700 41.844 35.725 30.389 25.732 21.640 18.012 14.763 11.823 9.138 6.669 4.393 2.295 0.373 -1.375 -4.185 -4.634 -5.035 -5.384 -5.674 -5.899 -6.054 -6.132 -6.128 -6.040 -5.867 -5.613 -5.285 -4.890 -4.439 -3.939 -3.399 -2.820 99999.999 99999.999 99999.999 48.724 41.888 35.777 30.445 25.791 21.703 18.079 14.835 11.901 9.224 6.763 4.496 2.407 0.491 -1.249 -4.127 -4.598 -5.027 -5.411 -5.745 -6.025 -6.247 -6.405 -6.495 -6.514 -6.460 -6.334 -6.137 -5.873 -5.549 -5.171 -4.742 -4.268 -3.751 99999.999 99999.999 48.745 41.929 35.827 30.499 25.849 21.764 18.145 14.906 11.978 9.307 6.855 4.595 2.513 0.603 -1.136 -4.059 -4.547 -4.997 -5.409 -5.777 -6.099 -6.372 -6.591 -6.753 -6.855 -6.894 -6.869 -6.781 -6.630 -6.420 -6.153 -5.834 -5.466 -5.050 -4.589 -4.081 48.763 41.968 35.874 30.552 25.905 21.824 18.208 14.974 12.052 9.389 6.944 4.691 2.615 0.709 -1.030 -3.984 -4.485 -4.952 -5.385 -5.780 -6.135 -6.447 -6.714 -6.932 -7.098 -7.210 -7.267 -7.267 -7.210 -7.097 -6.931 -6.712 -6.443 -6.126 -5.763 -5.353 48.800 42.237 36.242 30.974 26.367 22.322 18.745 15.557 12.690 10.089 7.712 5.528 3.515 1.658 -0.055 -3.082 -3.628 -4.155 -4.664 -5.155 -5.627 -6.082 -6.519 -6.937 -7.338 -7.721 -8.085 -8.430 -8.756 -9.062 -9.348 -9.613 -9.857 -10.080 -10.281 -10.460 48.618 42.321 36.443 31.242 26.682 22.676 19.138 15.991 13.171 10.623 8.304 6.180 4.227 2.425 0.761 -2.207 -2.749 -3.275 -3.786 -4.282 -4.765 -5.234 -5.691 -6.135 -6.568 -6.989 -7.399 -7.798 -8.187 -8.566 -8.935 -9.294 -9.643 -9.983 -10.314 -10.636 48.262 42.259 36.512 31.387 26.880 22.916 19.417 16.310 13.532 11.030 8.762 6.692 4.793 3.044 1.430 -1.452 -1.980 -2.492 -2.991 -3.477 -3.950 -4.411 -4.860 -5.299 -5.728 -6.147 -6.557 -6.959 -7.352 -7.738 -8.117 -8.489 -8.854 -9.214 -9.568 -9.917 47.766 42.076 36.474 31.432 26.983 23.065 19.605 16.536 13.797 11.337 9.114 7.091 5.242 3.542 1.976 -0.817 -1.328 -1.825 -2.308 -2.778 -3.237 -3.684 -4.120 -4.545 -4.962 -5.369 -5.768 -6.158 -6.542 -6.918 -7.288 -7.653 -8.011 -8.365 -8.714 -9.059 47.156 41.796 36.345 31.394 27.007 23.137 19.719 16.687 13.985 11.563 9.380 7.401 5.596 3.942 2.420 -0.287 -0.782 -1.262 -1.729 -2.184 -2.627 -3.059 -3.480 -3.891 -4.292 -4.685 -5.069 -5.446 -5.816 -6.179 -6.535 -6.886 -7.232 -7.572 -7.909 -8.241 46.451 41.433 36.142 31.286 26.964 23.145 19.769 16.775 14.109 11.723 9.578 7.637 5.872 4.259 2.779 0.153 -0.326 -0.791 -1.243 -1.682 -2.110 -2.527 -2.933 -3.329 -3.716 -4.095 -4.465 -4.827 -5.182 -5.531 -5.873 -6.210 -6.541 -6.867 -7.189 -7.507 45.665 41.000 35.875 31.118 26.865 23.098 19.765 16.810 14.179 11.828 9.717 7.812 6.084 4.509 3.067 0.516 0.052 -0.399 -0.836 -1.261 -1.675 -2.077 -2.470 -2.852 -3.225 -3.590 -3.946 -4.294 -4.636 -4.971 -5.299 -5.622 -5.940 -6.252 -6.560 -6.865 99999.999 40.509 35.553 30.898 26.717 23.005 19.716 16.799 14.203 11.886 9.807 7.935 6.241 4.701 3.294 0.813 0.363 -0.074 -0.498 -0.910 -1.310 -1.699 -2.079 -2.448 -2.808 -3.160 -3.503 -3.839 -4.168 -4.490 -4.806 -5.116 -5.421 -5.721 -6.016 -6.307 pyrope Mg3Al2Si3O12 Ssln ID, Coef: 16 3.000 P-T:All Wt.(g/mol) = 403.150 V(cc/mol) = 113.130 D(g/cc) = 3.564 Ref: H&P2011 4 3.000 10 2.000 8 3.000 7 -12.000 1 65.617 56.893 49.336 42.815 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.617 56.893 49.336 42.815 37.147 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.620 56.896 49.338 42.817 37.150 32.172 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.624 56.901 49.343 42.822 37.155 32.177 27.750 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.632 56.909 49.352 42.831 37.164 32.186 27.760 23.775 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.643 56.922 49.365 42.844 37.177 32.200 27.775 23.791 20.157 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.661 56.941 49.385 42.864 37.198 32.221 27.798 23.815 20.184 16.820 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.686 56.968 49.413 42.893 37.227 32.252 27.830 23.850 20.222 16.863 13.685 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.719 57.006 49.451 42.932 37.267 32.293 27.873 23.897 20.274 16.921 13.754 10.692 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.763 57.055 49.502 42.983 37.320 32.348 27.931 23.959 20.342 16.998 13.846 10.805 7.835 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.818 57.117 49.566 43.049 37.387 32.418 28.005 24.038 20.429 17.097 13.962 10.949 8.008 5.223 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.886 57.195 49.647 43.132 37.472 32.506 28.098 24.139 20.539 17.221 14.109 11.131 8.232 5.414 3.211 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.937 57.253 49.709 43.195 37.536 32.573 28.169 24.215 20.622 17.314 14.219 11.268 8.406 5.601 2.884 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.006 57.334 49.793 43.282 37.626 32.666 28.267 24.321 20.738 17.445 14.373 11.459 8.649 5.893 2.993 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.070 57.411 49.875 43.366 37.713 32.756 28.363 24.423 20.851 17.571 14.520 11.641 8.884 6.191 3.314 20.343 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.130 57.485 49.953 43.447 37.796 32.843 28.455 24.523 20.959 17.693 14.662 11.816 9.108 6.485 3.703 8.533 13.498 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.186 57.555 50.029 43.525 37.877 32.928 28.544 24.619 21.065 17.811 14.799 11.982 9.321 6.766 4.104 5.762 7.443 10.533 15.079 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.239 57.622 50.101 43.600 37.955 33.009 28.631 24.712 21.167 17.924 14.930 12.141 9.521 7.031 4.493 4.572 5.222 6.516 8.648 11.594 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.287 57.685 50.170 43.673 38.031 33.088 28.715 24.803 21.265 18.034 15.056 12.292 9.710 7.278 4.857 3.945 4.132 4.676 5.684 7.237 9.291 11.598 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.332 57.746 50.237 43.743 38.104 33.165 28.796 24.890 21.361 18.140 15.178 12.435 9.886 7.506 5.189 3.588 3.521 3.681 4.128 4.919 6.085 7.584 9.279 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.373 57.803 50.301 43.811 38.174 33.239 28.875 24.975 21.454 18.243 15.294 12.571 10.051 7.715 5.487 3.381 3.158 3.093 3.222 3.582 4.204 5.096 6.223 7.504 8.826 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.411 57.858 50.362 43.876 38.242 33.311 28.951 25.057 21.543 18.343 15.406 12.701 10.205 7.905 5.749 3.266 2.940 2.732 2.663 2.759 3.043 3.530 4.220 5.085 6.076 7.123 8.163 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.446 57.910 50.421 43.938 38.308 33.380 29.025 25.137 21.631 18.439 15.514 12.824 10.349 8.077 5.978 3.212 2.814 2.507 2.307 2.231 2.294 2.512 2.891 3.428 4.102 4.881 5.724 6.590 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.477 57.959 50.477 43.998 38.372 33.447 29.097 25.215 21.715 18.532 15.618 12.941 10.483 8.233 6.176 3.199 2.748 2.372 2.081 1.885 1.798 1.831 1.992 2.284 2.702 3.233 3.854 4.540 5.267 6.015 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.505 58.005 50.531 44.057 38.433 33.513 29.167 25.290 21.797 18.623 15.719 13.053 10.608 8.374 6.345 3.215 2.725 2.298 1.940 1.660 1.466 1.367 1.372 1.484 1.705 2.031 2.451 2.951 3.516 4.130 4.781 99999.999 99999.999 99999.999 99999.999 99999.999 66.530 58.049 50.582 44.112 38.493 33.575 29.234 25.363 21.877 18.711 15.816 13.160 10.725 8.503 6.490 3.251 2.732 2.266 1.859 1.516 1.244 1.050 0.940 0.918 0.989 1.152 1.404 1.737 2.144 2.613 3.134 3.702 4.313 99999.999 99999.999 99999.999 66.552 58.090 50.631 44.166 38.550 33.636 29.299 25.433 21.954 18.796 15.909 13.262 10.836 8.622 6.616 3.303 2.761 2.265 1.820 1.430 1.099 0.834 0.638 0.516 0.472 0.508 0.623 0.816 1.080 1.412 1.803 2.249 2.745 3.288 99999.999 99999.999 66.572 58.129 50.678 44.218 38.605 33.695 29.362 25.502 22.029 18.878 16.000 13.361 10.942 8.732 6.728 3.367 2.806 2.287 1.813 1.386 1.011 0.690 0.429 0.230 0.098 0.034 0.040 0.116 0.260 0.469 0.740 1.067 1.449 1.882 2.365 2.898 66.588 58.166 50.723 44.268 38.659 33.752 29.424 25.568 22.102 18.958 16.088 13.457 11.044 8.838 6.833 3.438 2.863 2.326 1.829 1.374 0.963 0.600 0.288 0.030 -0.171 -0.314 -0.395 -0.414 -0.371 -0.267 -0.103 0.117 0.391 0.718 1.095 1.523 66.611 58.412 51.066 44.665 39.097 34.229 29.942 26.135 22.726 19.647 16.848 14.288 11.939 9.783 7.803 4.323 3.699 3.096 2.516 1.957 1.420 0.904 0.408 -0.066 -0.520 -0.952 -1.363 -1.752 -2.120 -2.464 -2.786 -3.085 -3.360 -3.611 -3.838 -4.041 66.418 58.477 51.245 44.911 39.391 34.564 30.316 26.553 23.193 20.170 17.431 14.934 12.648 10.548 8.617 5.196 4.574 3.972 3.388 2.822 2.272 1.739 1.221 0.718 0.229 -0.246 -0.708 -1.156 -1.592 -2.016 -2.428 -2.828 -3.217 -3.594 -3.961 -4.317 66.054 58.397 51.295 45.036 39.569 34.786 30.579 26.856 23.540 20.566 17.880 15.438 13.208 11.164 9.284 5.950 5.343 4.755 4.183 3.627 3.087 2.561 2.050 1.551 1.065 0.591 0.128 -0.324 -0.766 -1.198 -1.622 -2.037 -2.444 -2.844 -3.236 -3.622 65.552 58.199 51.238 45.063 39.654 34.917 30.751 27.068 23.793 20.862 18.222 15.831 13.652 11.659 9.828 6.586 5.996 5.423 4.867 4.327 3.802 3.290 2.792 2.307 1.834 1.371 0.920 0.478 0.046 -0.378 -0.793 -1.201 -1.602 -1.996 -2.384 -2.767 64.937 57.904 51.093 45.007 39.661 34.973 30.849 27.205 23.969 21.077 18.480 16.133 14.000 12.054 10.270 7.116 6.543 5.987 5.447 4.923 4.414 3.918 3.435 2.965 2.506 2.059 1.622 1.194 0.776 0.366 -0.036 -0.430 -0.818 -1.199 -1.574 -1.944 64.228 57.529 50.874 44.883 39.603 34.965 30.885 27.280 24.081 21.227 18.668 16.361 14.270 12.367 10.626 7.556 6.999 6.459 5.935 5.426 4.932 4.452 3.984 3.529 3.085 2.653 2.230 1.818 1.414 1.019 0.632 0.252 -0.121 -0.488 -0.849 -1.204 63.439 57.085 50.592 44.699 39.488 34.904 30.868 27.302 24.139 21.321 18.797 16.527 14.475 12.611 10.910 7.918 7.376 6.851 6.342 5.848 5.369 4.903 4.450 4.009 3.580 3.161 2.753 2.354 1.965 1.584 1.211 0.845 0.486 0.133 -0.213 -0.554 99999.999 56.583 50.256 44.465 39.325 34.796 30.805 27.278 24.152 21.368 18.879 16.643 14.626 12.797 11.133 8.213 7.686 7.175 6.680 6.200 5.734 5.282 4.842 4.415 3.999 3.594 3.199 2.813 2.437 2.069 1.709 1.356 1.010 0.671 0.337 0.009 spessartine Mn3Al2Si3O12 Ssln ID, Coef: 16 3.000 P-T:All Wt.(g/mol) = 495.030 V(cc/mol) = 117.920 D(g/cc) = 4.198 Ref: H&P2011 4 3.000 14 2.000 8 3.000 7 -12.000 1 45.409 39.010 33.421 28.581 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.409 39.010 33.421 28.581 24.363 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.411 39.012 33.423 28.583 24.365 20.648 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.415 39.017 33.428 28.588 24.370 20.653 17.335 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.422 39.024 33.436 28.596 24.378 20.662 17.344 14.339 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.432 39.036 33.448 28.608 24.391 20.675 17.358 14.354 11.594 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.448 39.054 33.466 28.627 24.410 20.695 17.379 14.377 11.620 9.040 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.470 39.079 33.493 28.654 24.438 20.724 17.409 14.410 11.656 9.081 6.612 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.501 39.113 33.528 28.690 24.475 20.763 17.450 14.454 11.705 9.136 6.678 4.260 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.540 39.158 33.575 28.738 24.524 20.814 17.505 14.513 11.769 9.209 6.765 4.368 1.984 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.590 39.216 33.635 28.800 24.587 20.880 17.574 14.588 11.852 9.303 6.876 4.507 2.151 -0.114 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.650 39.287 33.710 28.877 24.667 20.962 17.662 14.683 11.956 9.421 7.016 4.681 2.367 0.077 -1.711 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.695 39.340 33.766 28.935 24.726 21.025 17.728 14.754 12.035 9.510 7.121 4.812 2.534 0.259 -1.997 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.755 39.414 33.844 29.015 24.810 21.112 17.821 14.854 12.144 9.634 7.267 4.994 2.768 0.543 -1.873 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.812 39.483 33.919 29.093 24.890 21.196 17.910 14.950 12.250 9.753 7.408 5.168 2.993 0.831 -1.555 14.701 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.864 39.550 33.991 29.168 24.968 21.277 17.997 15.044 12.353 9.868 7.543 5.334 3.207 1.114 -1.177 3.843 8.499 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.912 39.613 34.059 29.240 25.043 21.356 18.080 15.134 12.452 9.979 7.672 5.493 3.411 1.384 -0.789 1.297 2.936 5.862 10.098 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.956 39.672 34.125 29.309 25.115 21.432 18.161 15.221 12.548 10.087 7.797 5.644 3.602 1.638 -0.415 0.209 0.899 2.176 4.217 6.988 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.997 39.729 34.188 29.375 25.184 21.505 18.239 15.306 12.640 10.190 7.916 5.787 3.782 1.874 -0.065 -0.359 -0.096 0.492 1.503 3.006 4.957 7.122 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.034 39.782 34.248 29.439 25.252 21.576 18.315 15.388 12.730 10.291 8.031 5.924 3.951 2.093 0.253 -0.680 -0.649 -0.414 0.080 0.887 2.032 3.472 5.080 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.067 39.833 34.305 29.500 25.316 21.644 18.388 15.467 12.817 10.387 8.141 6.053 4.108 2.292 0.539 -0.862 -0.975 -0.946 -0.743 -0.332 0.316 1.205 2.304 3.534 4.789 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.097 39.881 34.360 29.559 25.379 21.710 18.458 15.544 12.901 10.481 8.247 6.176 4.255 2.474 0.791 -0.959 -1.167 -1.270 -1.248 -1.079 -0.741 -0.220 0.481 1.338 2.301 3.309 4.302 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.124 39.925 34.412 29.616 25.439 21.774 18.527 15.618 12.983 10.571 8.349 6.293 4.391 2.639 1.010 -1.002 -1.275 -1.468 -1.567 -1.555 -1.419 -1.145 -0.726 -0.168 0.512 1.282 2.104 2.941 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.148 39.968 34.462 29.670 25.496 21.835 18.593 15.690 13.061 10.659 8.447 6.404 4.518 2.788 1.200 -1.007 -1.328 -1.585 -1.767 -1.864 -1.865 -1.760 -1.541 -1.205 -0.757 -0.211 0.414 1.094 1.805 2.533 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.168 40.007 34.510 29.722 25.552 21.895 18.657 15.759 13.138 10.744 8.541 6.509 4.637 2.923 1.362 -0.986 -1.342 -1.645 -1.888 -2.063 -2.162 -2.177 -2.100 -1.928 -1.660 -1.299 -0.855 -0.342 0.227 0.837 1.478 99999.999 99999.999 99999.999 99999.999 99999.999 46.186 40.044 34.555 29.772 25.606 21.952 18.719 15.827 13.212 10.826 8.632 6.610 4.749 3.045 1.501 -0.946 -1.329 -1.667 -1.955 -2.187 -2.357 -2.459 -2.488 -2.437 -2.305 -2.092 -1.801 -1.438 -1.011 -0.530 -0.004 0.562 1.165 99999.999 99999.999 99999.999 46.200 40.079 34.598 29.820 25.657 22.008 18.779 15.892 13.284 10.905 8.720 6.707 4.854 3.158 1.622 -0.892 -1.296 -1.661 -1.983 -2.258 -2.482 -2.649 -2.756 -2.797 -2.769 -2.672 -2.505 -2.269 -1.970 -1.613 -1.204 -0.746 -0.245 0.298 99999.999 99999.999 46.212 40.111 34.639 29.866 25.707 22.061 18.837 15.955 13.353 10.982 8.805 6.800 4.954 3.264 1.730 -0.828 -1.248 -1.634 -1.983 -2.291 -2.556 -2.773 -2.939 -3.050 -3.103 -3.096 -3.028 -2.898 -2.709 -2.462 -2.162 -1.811 -1.412 -0.968 -0.480 0.053 46.220 40.140 34.677 29.910 25.755 22.113 18.893 16.016 13.421 11.057 8.887 6.890 5.050 3.364 1.830 -0.756 -1.190 -1.592 -1.962 -2.296 -2.592 -2.848 -3.060 -3.225 -3.341 -3.406 -3.417 -3.373 -3.275 -3.124 -2.921 -2.667 -2.365 -2.017 -1.624 -1.187 46.170 40.321 34.959 30.251 26.140 22.538 19.360 16.532 13.993 11.694 9.594 7.667 5.892 4.257 2.752 0.100 -0.376 -0.835 -1.278 -1.704 -2.114 -2.507 -2.884 -3.245 -3.589 -3.916 -4.225 -4.518 -4.792 -5.048 -5.285 -5.503 -5.700 -5.878 -6.035 -6.171 45.906 40.323 35.081 30.442 26.382 22.822 19.686 16.903 14.414 12.169 10.129 8.264 6.551 4.973 3.517 0.929 0.458 0.000 -0.443 -0.874 -1.293 -1.699 -2.095 -2.479 -2.853 -3.217 -3.570 -3.915 -4.250 -4.575 -4.892 -5.201 -5.500 -5.792 -6.075 -6.350 45.473 40.182 35.074 30.515 26.511 22.997 19.903 17.161 14.716 12.520 10.533 8.723 7.066 5.542 4.138 1.638 1.182 0.738 0.307 -0.112 -0.520 -0.917 -1.305 -1.683 -2.052 -2.413 -2.766 -3.112 -3.450 -3.782 -4.108 -4.428 -4.743 -5.052 -5.357 -5.658 44.904 39.925 34.963 30.491 26.548 23.083 20.031 17.330 14.927 12.774 10.834 9.073 7.466 5.993 4.638 2.230 1.790 1.363 0.948 0.545 0.152 -0.231 -0.605 -0.969 -1.325 -1.674 -2.015 -2.349 -2.677 -2.999 -3.316 -3.628 -3.935 -4.238 -4.537 -4.833 44.223 39.572 34.765 30.387 26.508 23.094 20.086 17.426 15.062 12.950 11.051 9.335 7.774 6.347 5.038 2.718 2.295 1.885 1.486 1.099 0.722 0.354 -0.004 -0.353 -0.694 -1.028 -1.354 -1.674 -1.988 -2.296 -2.599 -2.897 -3.191 -3.480 -3.767 -4.050 43.450 39.139 34.494 30.214 26.405 23.044 20.080 17.461 15.135 13.061 11.201 9.525 8.006 6.622 5.355 3.118 2.711 2.317 1.934 1.562 1.200 0.848 0.505 0.171 -0.156 -0.474 -0.786 -1.091 -1.390 -1.684 -1.972 -2.256 -2.535 -2.810 -3.082 -3.350 42.598 38.640 34.162 29.983 26.246 22.941 20.023 17.444 15.155 13.118 11.294 9.655 8.175 6.830 5.602 3.442 3.051 2.671 2.303 1.946 1.598 1.261 0.932 0.612 0.300 -0.005 -0.303 -0.594 -0.879 -1.158 -1.433 -1.702 -1.967 -2.228 -2.486 -2.740 99999.999 38.083 33.776 29.702 26.040 22.792 19.921 17.382 15.131 13.129 11.340 9.736 8.290 6.981 5.790 3.702 3.324 2.959 2.605 2.261 1.927 1.603 1.288 0.981 0.682 0.391 0.106 -0.172 -0.444 -0.711 -0.972 -1.229 -1.481 -1.729 -1.974 -2.215 amesite Mg4Al4Si2O18H8 skip P-T:All Wt.(g/mol) = 557.400 V(cc/mol) = 207.100 D(g/cc) = 2.691 Ref: H&P2011 5 4.000 10 4.000 8 2.000 7 10.000 2 -20.000 1 75.953 64.483 54.674 46.275 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.953 64.483 54.674 46.275 39.010 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.958 64.488 54.678 46.279 39.015 32.650 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.966 64.496 54.686 46.287 39.022 32.658 27.001 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.979 64.510 54.700 46.300 39.036 32.672 27.016 21.915 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.001 64.532 54.721 46.322 39.058 32.694 27.039 21.939 17.273 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.033 64.564 54.754 46.354 39.090 32.727 27.073 21.976 17.313 12.968 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.079 64.611 54.800 46.400 39.136 32.773 27.122 22.028 17.370 13.032 8.891 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.142 64.675 54.863 46.462 39.198 32.837 27.189 22.099 17.448 13.119 8.995 4.961 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.225 64.760 54.947 46.545 39.281 32.922 27.277 22.194 17.550 13.235 9.132 5.129 1.188 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.331 64.869 55.055 46.652 39.389 33.032 27.391 22.315 17.683 13.384 9.307 5.347 1.444 -2.209 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.464 65.006 55.192 46.788 39.524 33.170 27.536 22.469 17.849 13.571 9.528 5.622 1.782 -1.954 -4.565 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.564 65.110 55.296 46.891 39.628 33.276 27.645 22.586 17.976 13.713 9.695 5.830 2.044 -1.684 -5.233 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.704 65.256 55.441 47.036 39.773 33.424 27.800 22.749 18.154 13.911 9.928 6.119 2.415 -1.247 -5.157 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.839 65.398 55.584 47.177 39.915 33.569 27.950 22.909 18.326 14.103 10.152 6.397 2.774 -0.793 -4.694 27.430 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.969 65.536 55.722 47.315 40.054 33.710 28.097 23.064 18.494 14.289 10.369 6.664 3.117 -0.342 -4.103 6.395 15.611 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.094 65.670 55.857 47.450 40.189 33.847 28.240 23.216 18.657 14.470 10.578 6.918 3.444 0.091 -3.482 1.390 4.768 10.655 19.171 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.215 65.800 55.988 47.581 40.321 33.982 28.379 23.363 18.816 14.646 10.779 7.161 3.752 0.500 -2.876 -0.809 0.734 3.417 7.597 13.246 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.332 65.926 56.116 47.709 40.450 34.113 28.515 23.507 18.971 14.816 10.973 7.393 4.042 0.882 -2.307 -2.003 -1.289 0.055 2.224 5.365 9.412 13.939 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.444 66.049 56.241 47.834 40.575 34.241 28.648 23.647 19.122 14.981 11.160 7.613 4.314 1.234 -1.789 -2.713 -2.456 -1.800 -0.638 1.137 3.580 6.626 10.038 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.552 66.169 56.363 47.956 40.698 34.366 28.778 23.784 19.269 15.142 11.341 7.823 4.567 1.555 -1.325 -3.151 -3.177 -2.927 -2.336 -1.337 0.127 2.073 4.445 7.100 9.841 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.656 66.285 56.481 48.076 40.818 34.489 28.905 23.918 19.412 15.299 11.515 8.023 4.803 1.846 -0.918 -3.422 -3.636 -3.646 -3.412 -2.890 -2.035 -0.820 0.756 2.649 4.769 6.998 9.222 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.756 66.397 56.597 48.192 40.936 34.609 29.029 24.049 19.552 15.451 11.683 8.213 5.023 2.110 -0.566 -3.581 -3.928 -4.117 -4.122 -3.912 -3.456 -2.728 -1.715 -0.422 1.117 2.846 4.690 6.580 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.853 66.507 56.710 48.306 41.051 34.726 29.150 24.176 19.689 15.599 11.846 8.394 5.228 2.347 -0.265 -3.664 -4.108 -4.425 -4.597 -4.603 -4.421 -4.029 -3.412 -2.564 -1.492 -0.221 1.212 2.760 4.381 6.040 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.945 66.614 56.820 48.417 41.163 34.840 29.268 24.301 19.822 15.743 12.003 8.567 5.420 2.561 -0.010 -3.693 -4.209 -4.622 -4.916 -5.078 -5.090 -4.937 -4.605 -4.084 -3.372 -2.476 -1.414 -0.209 1.108 2.511 3.978 99999.999 99999.999 99999.999 99999.999 99999.999 78.035 66.717 56.928 48.526 41.273 34.952 29.384 24.423 19.952 15.883 12.156 8.733 5.600 2.755 0.205 -3.681 -4.254 -4.739 -5.125 -5.402 -5.558 -5.580 -5.458 -5.180 -4.742 -4.144 -3.390 -2.493 -1.469 -0.336 0.888 2.189 3.561 99999.999 99999.999 99999.999 78.121 66.818 57.032 48.632 41.380 35.062 29.497 24.542 20.079 16.020 12.304 8.893 5.770 2.933 0.390 -3.640 -4.257 -4.798 -5.255 -5.620 -5.884 -6.038 -6.073 -5.980 -5.752 -5.386 -4.881 -4.244 -3.480 -2.602 -1.620 -0.545 0.613 1.851 99999.999 99999.999 78.203 66.916 57.135 48.736 41.485 35.169 29.608 24.659 20.204 16.154 12.448 9.047 5.932 3.098 0.554 -3.576 -4.228 -4.813 -5.326 -5.759 -6.107 -6.363 -6.518 -6.566 -6.501 -6.317 -6.013 -5.589 -5.047 -4.393 -3.635 -2.778 -1.831 -0.797 0.319 1.518 78.282 67.012 57.235 48.838 41.588 35.274 29.717 24.773 20.325 16.285 12.589 9.197 6.089 3.257 0.706 -3.495 -4.175 -4.796 -5.352 -5.840 -6.254 -6.589 -6.838 -6.997 -7.058 -7.019 -6.875 -6.625 -6.268 -5.808 -5.246 -4.588 -3.837 -2.999 -2.076 -1.071 78.913 67.830 58.114 49.741 42.508 36.215 30.690 25.793 21.409 17.448 13.841 10.537 7.504 4.719 2.167 -2.284 -3.075 -3.834 -4.562 -5.259 -5.925 -6.559 -7.163 -7.735 -8.276 -8.784 -9.260 -9.701 -10.109 -10.481 -10.817 -11.116 -11.378 -11.602 -11.787 -11.933 79.296 68.445 58.810 50.474 43.263 36.991 31.493 26.633 22.300 18.401 14.866 11.639 8.681 5.961 3.460 -0.964 -1.765 -2.540 -3.291 -4.019 -4.723 -5.407 -6.069 -6.710 -7.333 -7.936 -8.521 -9.088 -9.638 -10.171 -10.687 -11.187 -11.672 -12.140 -12.593 -13.032 79.485 68.898 59.362 51.072 43.889 37.640 32.167 27.339 23.045 19.197 15.721 12.560 9.669 7.015 4.573 0.240 -0.549 -1.314 -2.057 -2.779 -3.481 -4.164 -4.828 -5.476 -6.108 -6.724 -7.326 -7.914 -8.489 -9.053 -9.605 -10.147 -10.679 -11.201 -11.715 -12.221 79.519 69.221 59.797 51.562 44.412 38.188 32.739 27.938 23.678 19.871 16.445 13.339 10.508 7.915 5.531 1.302 0.531 -0.217 -0.943 -1.650 -2.337 -3.006 -3.658 -4.294 -4.915 -5.522 -6.116 -6.698 -7.268 -7.828 -8.377 -8.918 -9.451 -9.976 -10.494 -11.007 79.428 69.440 60.138 51.964 44.851 38.653 33.229 28.453 24.222 20.449 17.064 14.006 11.227 8.687 6.358 2.232 1.481 0.752 0.044 -0.644 -1.314 -1.966 -2.601 -3.221 -3.826 -4.417 -4.996 -5.562 -6.118 -6.663 -7.199 -7.726 -8.246 -8.758 -9.264 -9.764 79.235 69.573 60.400 52.292 45.220 39.051 33.650 28.898 24.693 20.950 17.600 14.582 11.847 9.356 7.076 3.047 2.315 1.605 0.915 0.245 -0.407 -1.041 -1.659 -2.262 -2.849 -3.423 -3.985 -4.535 -5.073 -5.602 -6.121 -6.631 -7.134 -7.629 -8.118 -8.601 78.957 69.636 60.597 52.558 45.529 39.391 34.015 29.286 25.105 21.388 18.068 15.084 12.388 9.939 7.703 3.763 3.048 2.355 1.683 1.030 0.395 -0.222 -0.823 -1.409 -1.980 -2.537 -3.082 -3.615 -4.137 -4.649 -5.151 -5.644 -6.130 -6.608 -7.080 -7.546 99999.999 69.641 60.739 52.772 45.788 39.682 34.331 29.625 25.466 21.774 18.480 15.525 12.863 10.450 8.253 4.394 3.695 3.019 2.362 1.725 1.106 0.505 -0.081 -0.651 -1.206 -1.748 -2.277 -2.795 -3.301 -3.797 -4.284 -4.762 -5.232 -5.694 -6.150 -6.600 analcite NaAlSi2O7H2 P-T:All Wt.(g/mol) = 220.150 V(cc/mol) = 97.400 D(g/cc) = 2.260 Ref: H&P2011 5 1.000 13 1.000 8 2.000 7 -1.000 2 -4.000 1 8.206 6.757 5.433 4.277 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.206 6.757 5.433 4.277 3.273 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.208 6.758 5.434 4.278 3.274 2.396 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.210 6.761 5.437 4.280 3.276 2.399 1.622 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.214 6.765 5.441 4.285 3.281 2.403 1.626 0.928 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.220 6.772 5.448 4.291 3.287 2.410 1.633 0.935 0.295 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.229 6.781 5.458 4.301 3.297 2.420 1.644 0.946 0.307 -0.293 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.241 6.795 5.472 4.315 3.312 2.435 1.659 0.961 0.323 -0.276 -0.856 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.258 6.814 5.491 4.335 3.331 2.454 1.679 0.982 0.345 -0.251 -0.828 -1.409 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.281 6.839 5.517 4.361 3.357 2.480 1.706 1.010 0.375 -0.219 -0.792 -1.365 -1.950 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.309 6.871 5.550 4.393 3.390 2.514 1.740 1.046 0.413 -0.177 -0.745 -1.309 -1.884 -2.448 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.344 6.911 5.591 4.435 3.431 2.556 1.783 1.091 0.461 -0.125 -0.685 -1.239 -1.800 -2.370 -2.801 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.370 6.941 5.622 4.466 3.463 2.588 1.816 1.126 0.497 -0.086 -0.641 -1.185 -1.735 -2.298 -2.876 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.405 6.982 5.665 4.510 3.507 2.633 1.862 1.173 0.548 -0.031 -0.578 -1.111 -1.643 -2.190 -2.816 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.439 7.022 5.706 4.552 3.549 2.676 1.907 1.220 0.597 0.023 -0.518 -1.040 -1.556 -2.081 -2.694 2.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.470 7.060 5.746 4.592 3.591 2.718 1.950 1.265 0.645 0.074 -0.461 -0.972 -1.472 -1.974 -2.555 -0.674 0.869 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.499 7.096 5.784 4.632 3.630 2.758 1.992 1.309 0.691 0.124 -0.405 -0.907 -1.392 -1.872 -2.414 -1.469 -0.896 0.090 1.502 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.527 7.131 5.821 4.670 3.669 2.798 2.032 1.351 0.736 0.173 -0.351 -0.845 -1.316 -1.776 -2.278 -1.798 -1.528 -1.072 -0.371 0.565 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.552 7.164 5.857 4.706 3.706 2.836 2.072 1.392 0.780 0.220 -0.299 -0.785 -1.245 -1.686 -2.150 -1.962 -1.827 -1.591 -1.221 -0.694 -0.023 0.719 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.576 7.196 5.891 4.742 3.742 2.873 2.110 1.432 0.822 0.265 -0.249 -0.728 -1.177 -1.602 -2.033 -2.047 -1.987 -1.863 -1.657 -1.353 -0.942 -0.436 0.124 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.598 7.226 5.924 4.776 3.777 2.909 2.147 1.471 0.863 0.309 -0.201 -0.674 -1.114 -1.524 -1.927 -2.090 -2.074 -2.016 -1.903 -1.725 -1.473 -1.144 -0.749 -0.311 0.136 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.619 7.255 5.956 4.809 3.811 2.944 2.183 1.508 0.903 0.352 -0.155 -0.622 -1.054 -1.453 -1.833 -2.106 -2.120 -2.103 -2.048 -1.947 -1.793 -1.582 -1.315 -0.998 -0.647 -0.281 0.081 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.637 7.282 5.986 4.841 3.844 2.977 2.218 1.545 0.941 0.393 -0.110 -0.572 -0.998 -1.388 -1.749 -2.105 -2.140 -2.151 -2.133 -2.082 -1.993 -1.860 -1.683 -1.462 -1.202 -0.914 -0.609 -0.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.655 7.308 6.015 4.871 3.876 3.010 2.252 1.580 0.979 0.433 -0.066 -0.525 -0.945 -1.327 -1.676 -2.092 -2.142 -2.173 -2.182 -2.165 -2.119 -2.040 -1.926 -1.776 -1.591 -1.375 -1.134 -0.876 -0.607 -0.332 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.670 7.333 6.044 4.901 3.906 3.042 2.284 1.615 1.015 0.472 -0.024 -0.479 -0.895 -1.272 -1.611 -2.072 -2.133 -2.179 -2.206 -2.214 -2.198 -2.158 -2.089 -1.991 -1.863 -1.706 -1.524 -1.319 -1.097 -0.862 -0.616 99999.999 99999.999 99999.999 99999.999 99999.999 8.684 7.356 6.070 4.929 3.936 3.072 2.316 1.648 1.051 0.510 0.016 -0.435 -0.848 -1.221 -1.555 -2.046 -2.116 -2.172 -2.214 -2.239 -2.246 -2.233 -2.197 -2.137 -2.053 -1.944 -1.810 -1.654 -1.478 -1.285 -1.077 -0.856 -0.623 99999.999 99999.999 99999.999 8.697 7.378 6.096 4.957 3.965 3.102 2.347 1.681 1.085 0.547 0.056 -0.393 -0.803 -1.174 -1.504 -2.017 -2.092 -2.157 -2.209 -2.248 -2.272 -2.279 -2.268 -2.237 -2.186 -2.113 -2.019 -1.904 -1.769 -1.616 -1.446 -1.261 -1.062 -0.849 99999.999 99999.999 8.709 7.399 6.121 4.984 3.992 3.131 2.377 1.712 1.118 0.582 0.094 -0.352 -0.760 -1.129 -1.458 -1.984 -2.065 -2.136 -2.196 -2.245 -2.282 -2.304 -2.312 -2.303 -2.277 -2.233 -2.170 -2.089 -1.989 -1.871 -1.737 -1.587 -1.421 -1.241 -1.047 -0.838 8.719 7.419 6.145 5.009 4.019 3.159 2.406 1.743 1.151 0.617 0.131 -0.313 -0.718 -1.086 -1.415 -1.949 -2.034 -2.110 -2.177 -2.234 -2.280 -2.315 -2.337 -2.345 -2.339 -2.317 -2.280 -2.225 -2.155 -2.068 -1.964 -1.846 -1.712 -1.563 -1.400 -1.223 8.750 7.560 6.330 5.217 4.242 3.394 2.655 2.005 1.431 0.917 0.453 0.031 -0.353 -0.703 -1.022 -1.572 -1.669 -1.762 -1.851 -1.935 -2.016 -2.093 -2.165 -2.233 -2.298 -2.358 -2.413 -2.464 -2.510 -2.551 -2.587 -2.618 -2.643 -2.663 -2.676 -2.684 8.676 7.612 6.436 5.352 4.396 3.563 2.837 2.202 1.642 1.146 0.701 0.300 -0.065 -0.396 -0.698 -1.225 -1.320 -1.411 -1.499 -1.585 -1.667 -1.747 -1.824 -1.899 -1.972 -2.042 -2.110 -2.176 -2.240 -2.302 -2.362 -2.421 -2.477 -2.531 -2.584 -2.635 8.520 7.594 6.478 5.428 4.494 3.678 2.967 2.346 1.801 1.321 0.893 0.509 0.164 -0.150 -0.435 -0.931 -1.021 -1.107 -1.191 -1.271 -1.350 -1.426 -1.500 -1.572 -1.643 -1.711 -1.778 -1.844 -1.908 -1.971 -2.033 -2.094 -2.155 -2.214 -2.273 -2.331 8.295 7.517 6.468 5.456 4.548 3.750 3.055 2.448 1.918 1.452 1.040 0.673 0.344 0.047 -0.221 -0.687 -0.770 -0.851 -0.929 -1.004 -1.077 -1.148 -1.218 -1.285 -1.350 -1.414 -1.477 -1.538 -1.599 -1.658 -1.716 -1.774 -1.831 -1.888 -1.944 -2.000 8.016 7.393 6.415 5.445 4.564 3.787 3.108 2.516 2.000 1.548 1.150 0.798 0.485 0.204 -0.049 -0.485 -0.562 -0.637 -0.709 -0.779 -0.847 -0.913 -0.976 -1.038 -1.099 -1.157 -1.215 -1.271 -1.326 -1.381 -1.434 -1.487 -1.539 -1.591 -1.642 -1.694 7.690 7.229 6.326 5.399 4.548 3.793 3.131 2.555 2.053 1.615 1.231 0.893 0.593 0.327 0.089 -0.318 -0.391 -0.460 -0.527 -0.592 -0.654 -0.714 -0.773 -0.829 -0.885 -0.938 -0.991 -1.042 -1.092 -1.141 -1.189 -1.237 -1.284 -1.331 -1.377 -1.423 7.324 7.031 6.206 5.325 4.505 3.773 3.130 2.569 2.082 1.657 1.286 0.961 0.675 0.422 0.198 -0.183 -0.250 -0.314 -0.376 -0.436 -0.493 -0.548 -0.602 -0.654 -0.704 -0.753 -0.800 -0.846 -0.892 -0.936 -0.979 -1.022 -1.065 -1.106 -1.148 -1.189 99999.999 6.803 6.059 5.226 4.438 3.730 3.107 2.563 2.089 1.677 1.319 1.007 0.734 0.494 0.282 -0.074 -0.136 -0.196 -0.253 -0.307 -0.360 -0.411 -0.459 -0.507 -0.552 -0.596 -0.639 -0.681 -0.722 -0.762 -0.801 -0.839 -0.877 -0.914 -0.951 -0.988 andalusite Al2SiO5 P-T:All Wt.(g/mol) = 162.050 V(cc/mol) = 51.530 D(g/cc) = 3.145 Ref: H&P2011 4 2.000 8 1.000 7 1.000 2 -6.000 1 16.191 12.779 9.802 7.212 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.191 12.779 9.802 7.212 4.940 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.193 12.781 9.804 7.214 4.942 2.924 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.196 12.784 9.807 7.217 4.945 2.927 1.110 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.201 12.789 9.812 7.222 4.950 2.932 1.116 -0.543 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.209 12.797 9.820 7.230 4.958 2.941 1.125 -0.534 -2.069 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.220 12.810 9.833 7.243 4.971 2.954 1.138 -0.520 -2.053 -3.498 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.237 12.827 9.850 7.260 4.989 2.972 1.157 -0.500 -2.032 -3.474 -4.863 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.259 12.851 9.874 7.285 5.013 2.997 1.183 -0.472 -2.002 -3.441 -4.825 -6.186 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.289 12.883 9.906 7.317 5.045 3.029 1.217 -0.436 -1.963 -3.398 -4.774 -6.126 -7.461 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.327 12.924 9.948 7.358 5.087 3.072 1.261 -0.390 -1.913 -3.342 -4.710 -6.047 -7.371 -8.610 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.375 12.975 10.000 7.410 5.139 3.125 1.316 -0.331 -1.850 -3.272 -4.628 -5.948 -7.252 -8.521 -9.394 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.411 13.015 10.040 7.450 5.179 3.166 1.359 -0.286 -1.802 -3.219 -4.567 -5.873 -7.159 -8.427 -9.623 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.461 13.069 10.095 7.506 5.236 3.224 1.419 -0.223 -1.734 -3.144 -4.480 -5.768 -7.028 -8.276 -9.600 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.510 13.123 10.150 7.561 5.291 3.280 1.477 -0.161 -1.668 -3.071 -4.397 -5.668 -6.901 -8.119 -9.444 1.452 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.556 13.175 10.203 7.614 5.345 3.335 1.534 -0.101 -1.604 -3.001 -4.317 -5.571 -6.779 -7.962 -9.244 -5.767 -2.618 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.601 13.225 10.254 7.666 5.397 3.389 1.589 -0.043 -1.541 -2.933 -4.239 -5.478 -6.662 -7.811 -9.033 -7.467 -6.327 -4.321 -1.384 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.644 13.274 10.305 7.717 5.448 3.441 1.643 0.014 -1.480 -2.866 -4.164 -5.389 -6.552 -7.667 -8.826 -8.208 -7.696 -6.794 -5.373 -3.433 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.685 13.321 10.354 7.766 5.498 3.492 1.696 0.070 -1.421 -2.801 -4.091 -5.303 -6.447 -7.533 -8.631 -8.608 -8.379 -7.934 -7.207 -6.142 -4.758 -3.191 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.725 13.367 10.401 7.815 5.547 3.542 1.748 0.124 -1.363 -2.739 -4.021 -5.222 -6.349 -7.409 -8.452 -8.842 -8.769 -8.560 -8.178 -7.584 -6.759 -5.721 -4.547 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.764 13.412 10.448 7.862 5.595 3.591 1.798 0.177 -1.307 -2.677 -3.953 -5.144 -6.257 -7.294 -8.291 -8.984 -9.007 -8.936 -8.750 -8.423 -7.936 -7.282 -6.477 -5.568 -4.621 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.801 13.455 10.493 7.908 5.642 3.638 1.848 0.229 -1.251 -2.618 -3.887 -5.070 -6.171 -7.190 -8.149 -9.069 -9.156 -9.174 -9.109 -8.946 -8.669 -8.267 -7.740 -7.101 -6.379 -5.614 -4.845 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.836 13.498 10.538 7.953 5.688 3.685 1.896 0.279 -1.197 -2.560 -3.824 -4.999 -6.090 -7.095 -8.025 -9.116 -9.248 -9.327 -9.344 -9.287 -9.147 -8.913 -8.581 -8.151 -7.635 -7.050 -6.422 -5.774 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.870 13.539 10.581 7.997 5.732 3.731 1.943 0.329 -1.145 -2.503 -3.762 -4.931 -6.014 -7.008 -7.917 -9.137 -9.303 -9.425 -9.499 -9.516 -9.469 -9.351 -9.155 -8.880 -8.526 -8.103 -7.622 -7.098 -6.547 -5.979 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.903 13.579 10.623 8.040 5.776 3.776 1.990 0.377 -1.093 -2.448 -3.702 -4.866 -5.943 -6.930 -7.825 -9.140 -9.330 -9.485 -9.601 -9.671 -9.691 -9.654 -9.556 -9.393 -9.165 -8.872 -8.521 -8.120 -7.678 -7.205 -6.708 99999.999 99999.999 99999.999 99999.999 99999.999 16.934 13.617 10.664 8.082 5.819 3.819 2.035 0.425 -1.043 -2.394 -3.644 -4.804 -5.875 -6.858 -7.746 -9.130 -9.339 -9.518 -9.665 -9.775 -9.843 -9.867 -9.841 -9.761 -9.627 -9.438 -9.194 -8.901 -8.563 -8.186 -7.778 -7.341 -6.879 99999.999 99999.999 99999.999 16.964 13.655 10.704 8.123 5.861 3.862 2.079 0.471 -0.994 -2.341 -3.588 -4.743 -5.811 -6.791 -7.677 -9.109 -9.333 -9.532 -9.702 -9.842 -9.948 -10.016 -10.044 -10.028 -9.966 -9.857 -9.700 -9.496 -9.250 -8.963 -8.640 -8.284 -7.899 -7.485 99999.999 99999.999 16.993 13.692 10.744 8.164 5.902 3.904 2.123 0.517 -0.946 -2.290 -3.533 -4.685 -5.750 -6.728 -7.616 -9.081 -9.317 -9.530 -9.720 -9.883 -10.017 -10.120 -10.189 -10.221 -10.215 -10.169 -10.081 -9.952 -9.782 -9.573 -9.328 -9.050 -8.739 -8.398 -8.029 -7.631 17.021 13.727 10.782 8.203 5.942 3.945 2.165 0.561 -0.899 -2.239 -3.479 -4.628 -5.691 -6.668 -7.558 -9.046 -9.292 -9.518 -9.722 -9.903 -10.060 -10.190 -10.291 -10.362 -10.399 -10.402 -10.369 -10.300 -10.194 -10.053 -9.877 -9.667 -9.425 -9.154 -8.853 -8.523 17.237 14.032 11.118 8.553 6.301 4.314 2.546 0.960 -0.477 -1.790 -2.998 -4.116 -5.153 -6.114 -7.003 -8.574 -8.857 -9.129 -9.392 -9.644 -9.886 -10.118 -10.339 -10.551 -10.751 -10.941 -11.120 -11.288 -11.444 -11.588 -11.721 -11.840 -11.947 -12.042 -12.123 -12.191 17.360 14.258 11.382 8.836 6.596 4.619 2.862 1.291 -0.128 -1.418 -2.602 -3.693 -4.703 -5.641 -6.512 -8.072 -8.358 -8.635 -8.905 -9.167 -9.422 -9.670 -9.912 -10.146 -10.374 -10.596 -10.813 -11.023 -11.227 -11.426 -11.619 -11.807 -11.989 -12.167 -12.339 -12.506 17.409 14.421 11.590 9.066 6.839 4.873 3.128 1.568 0.165 -1.107 -2.269 -3.337 -4.323 -5.238 -6.087 -7.616 -7.897 -8.171 -8.437 -8.697 -8.951 -9.199 -9.440 -9.677 -9.908 -10.134 -10.355 -10.573 -10.785 -10.994 -11.200 -11.401 -11.600 -11.795 -11.988 -12.178 17.400 14.533 11.751 9.252 7.041 5.087 3.352 1.805 0.414 -0.842 -1.986 -3.034 -3.999 -4.892 -5.721 -7.212 -7.487 -7.755 -8.016 -8.270 -8.518 -8.761 -8.998 -9.230 -9.458 -9.681 -9.899 -10.114 -10.324 -10.532 -10.736 -10.937 -11.136 -11.332 -11.526 -11.717 17.342 14.604 11.874 9.403 7.209 5.267 3.544 2.007 0.628 -0.615 -1.744 -2.774 -3.721 -4.595 -5.404 -6.859 -7.126 -7.387 -7.641 -7.889 -8.132 -8.368 -8.599 -8.826 -9.047 -9.264 -9.477 -9.686 -9.892 -10.094 -10.294 -10.490 -10.684 -10.876 -11.065 -11.252 17.245 14.640 11.966 9.524 7.349 5.420 3.707 2.181 0.813 -0.418 -1.534 -2.549 -3.480 -4.336 -5.128 -6.548 -6.809 -7.063 -7.311 -7.552 -7.788 -8.018 -8.243 -8.463 -8.679 -8.890 -9.097 -9.300 -9.500 -9.696 -9.889 -10.080 -10.268 -10.453 -10.637 -10.818 17.115 14.647 12.030 9.619 7.463 5.549 3.848 2.331 0.974 -0.247 -1.350 -2.353 -3.269 -4.110 -4.886 -6.274 -6.529 -6.777 -7.019 -7.254 -7.484 -7.708 -7.927 -8.141 -8.350 -8.556 -8.757 -8.954 -9.148 -9.338 -9.525 -9.710 -9.892 -10.072 -10.249 -10.424 99999.999 14.630 12.072 9.692 7.557 5.657 3.968 2.462 1.114 -0.097 -1.190 -2.181 -3.085 -3.912 -4.674 -6.033 -6.282 -6.524 -6.760 -6.989 -7.213 -7.432 -7.645 -7.854 -8.058 -8.257 -8.453 -8.645 -8.833 -9.018 -9.200 -9.379 -9.555 -9.729 -9.901 -10.070 andradite Ca3Fe2Si3O12 Ssln ID, Coef: 8 2.000 P-T:All Wt.(g/mol) = 508.180 V(cc/mol) = 132.040 D(g/cc) = 3.849 Ref: H&P2011 7 3.000 9 3.000 7 -1.000 2 0.250 4 2.000 11 -0.250 6 -9.750 1 57.482 51.854 46.926 42.653 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.482 51.854 46.926 42.653 38.929 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.484 51.856 46.928 42.655 38.931 35.652 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.488 51.860 46.932 42.659 38.935 35.657 32.735 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.495 51.867 46.939 42.666 38.942 35.664 32.743 30.106 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.505 51.878 46.950 42.677 38.953 35.675 32.755 30.119 27.706 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.521 51.895 46.966 42.693 38.969 35.692 32.772 30.137 27.727 25.481 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.544 51.918 46.990 42.716 38.992 35.715 32.797 30.164 27.756 25.514 23.376 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.574 51.950 47.021 42.748 39.024 35.748 32.831 30.200 27.795 25.558 23.429 21.343 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.614 51.991 47.063 42.789 39.066 35.791 32.876 30.248 27.847 25.617 23.499 21.431 19.360 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.665 52.044 47.116 42.842 39.119 35.846 32.933 30.309 27.914 25.693 23.588 21.542 19.501 17.452 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.727 52.109 47.182 42.909 39.187 35.915 33.005 30.386 27.998 25.787 23.699 21.681 19.679 17.650 15.708 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.773 52.159 47.232 42.959 39.237 35.967 33.060 30.445 28.062 25.858 23.783 21.785 19.814 17.815 15.685 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.835 52.226 47.301 43.028 39.308 36.039 33.136 30.526 28.150 25.957 23.899 21.929 20.000 18.055 15.904 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.894 52.291 47.367 43.095 39.376 36.110 33.210 30.604 28.235 26.053 24.011 22.066 20.178 18.290 16.205 22.953 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.950 52.353 47.430 43.160 39.442 36.177 33.281 30.680 28.318 26.145 24.117 22.197 20.347 18.516 16.524 17.886 19.812 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.001 52.411 47.491 43.222 39.505 36.243 33.349 30.753 28.398 26.233 24.220 22.322 20.506 18.728 16.835 16.731 17.249 18.348 19.923 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.049 52.467 47.549 43.281 39.566 36.306 33.415 30.824 28.474 26.319 24.318 22.440 20.655 18.927 17.129 16.284 16.352 16.693 17.370 18.313 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.094 52.520 47.605 43.338 39.625 36.366 33.479 30.893 28.549 26.401 24.413 22.553 20.796 19.112 17.400 16.085 15.953 15.973 16.187 16.612 17.196 17.790 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.136 52.570 47.658 43.393 39.681 36.425 33.541 30.959 28.621 26.481 24.504 22.660 20.928 19.282 17.647 16.003 15.763 15.620 15.599 15.717 15.976 16.339 16.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.174 52.617 47.709 43.446 39.735 36.482 33.601 31.023 28.690 26.558 24.591 22.762 21.051 19.439 17.868 15.984 15.679 15.443 15.288 15.230 15.276 15.420 15.638 15.880 16.087 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.210 52.662 47.757 43.496 39.788 36.536 33.659 31.085 28.758 26.632 24.674 22.859 21.167 19.582 18.065 16.003 15.656 15.361 15.125 14.959 14.869 14.859 14.921 15.039 15.182 15.315 15.410 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.242 52.705 47.803 43.545 39.838 36.589 33.714 31.144 28.823 26.704 24.755 22.951 21.274 19.712 18.238 16.044 15.670 15.335 15.047 14.811 14.633 14.517 14.463 14.466 14.513 14.586 14.663 14.728 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.271 52.745 47.848 43.591 39.887 36.640 33.768 31.202 28.886 26.773 24.832 23.038 21.375 19.832 18.389 16.101 15.707 15.346 15.021 14.738 14.500 14.312 14.175 14.088 14.047 14.043 14.065 14.101 14.139 14.175 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.298 52.782 47.890 43.636 39.933 36.689 33.820 31.258 28.946 26.840 24.907 23.122 21.470 19.940 18.522 16.168 15.760 15.379 15.030 14.713 14.434 14.195 13.997 13.843 13.731 13.657 13.617 13.602 13.606 13.623 13.649 99999.999 99999.999 99999.999 99999.999 99999.999 58.322 52.818 47.930 43.678 39.978 36.736 33.871 31.312 29.005 26.905 24.979 23.202 21.559 20.040 18.637 16.242 15.823 15.429 15.061 14.721 14.412 14.136 13.895 13.690 13.522 13.391 13.293 13.226 13.184 13.164 13.163 13.179 13.212 99999.999 99999.999 99999.999 58.343 52.851 47.968 43.719 40.021 36.782 33.919 31.365 29.062 26.968 25.048 23.278 21.643 20.133 18.740 16.319 15.894 15.489 15.108 14.751 14.420 14.117 13.843 13.601 13.391 13.213 13.067 12.951 12.864 12.802 12.764 12.748 12.753 12.781 99999.999 99999.999 58.362 52.882 48.004 43.758 40.063 36.826 33.966 31.415 29.118 27.029 25.115 23.352 21.724 20.220 18.832 16.400 15.969 15.557 15.166 14.796 14.449 14.126 13.828 13.557 13.314 13.100 12.914 12.758 12.629 12.526 12.450 12.397 12.369 12.364 12.385 12.431 58.378 52.911 48.038 43.796 40.102 36.868 34.011 31.464 29.171 27.088 25.180 23.423 21.801 20.302 18.919 16.482 16.047 15.630 15.232 14.852 14.493 14.155 13.839 13.546 13.278 13.035 12.818 12.627 12.462 12.323 12.210 12.122 12.058 12.019 12.005 12.017 58.415 53.097 48.288 44.083 40.419 37.211 34.384 31.872 29.621 27.585 25.731 24.031 22.466 21.020 19.682 17.289 16.851 16.425 16.010 15.608 15.216 14.835 14.465 14.105 13.756 13.417 13.088 12.770 12.462 12.165 11.880 11.605 11.343 11.092 10.854 10.628 58.260 53.122 48.396 44.240 40.611 37.434 34.637 32.158 29.943 27.949 26.140 24.488 22.973 21.576 20.285 17.975 17.551 17.138 16.736 16.344 15.962 15.589 15.225 14.869 14.520 14.180 13.846 13.520 13.200 12.887 12.580 12.280 11.985 11.696 11.413 11.136 57.953 53.021 48.390 44.291 40.704 37.561 34.796 32.349 30.167 28.210 26.441 24.831 23.360 22.007 20.760 18.534 18.126 17.729 17.342 16.966 16.598 16.240 15.889 15.547 15.212 14.884 14.562 14.247 13.937 13.633 13.334 13.040 12.751 12.465 12.184 11.907 57.523 52.815 48.291 44.258 40.717 37.611 34.879 32.463 30.313 28.389 26.656 25.085 23.652 22.340 21.133 18.985 18.592 18.211 17.839 17.478 17.125 16.782 16.446 16.119 15.798 15.485 15.178 14.876 14.581 14.291 14.005 13.724 13.448 13.175 12.906 12.641 56.992 52.524 48.116 44.153 40.662 37.597 34.899 32.515 30.396 28.504 26.803 25.266 23.869 22.593 21.422 19.347 18.968 18.601 18.244 17.896 17.558 17.228 16.907 16.593 16.287 15.988 15.694 15.407 15.126 14.850 14.578 14.312 14.049 13.790 13.535 13.284 56.377 52.161 47.875 43.988 40.551 37.528 34.866 32.514 30.426 28.564 26.894 25.388 24.024 22.781 21.644 19.635 19.269 18.915 18.571 18.236 17.911 17.594 17.286 16.985 16.692 16.405 16.125 15.851 15.583 15.320 15.061 14.808 14.558 14.313 14.071 13.833 55.690 51.737 47.579 43.772 40.392 37.413 34.789 32.469 30.412 28.578 26.937 25.461 24.127 22.915 21.808 19.861 19.507 19.165 18.833 18.510 18.197 17.892 17.596 17.307 17.025 16.751 16.482 16.220 15.963 15.712 15.466 15.224 14.986 14.753 14.523 14.297 99999.999 51.262 47.236 43.511 40.191 37.259 34.672 32.386 30.359 28.554 26.941 25.493 24.186 23.002 21.925 20.034 19.692 19.361 19.040 18.728 18.426 18.132 17.846 17.568 17.297 17.034 16.776 16.524 16.279 16.038 15.802 15.571 15.344 15.122 14.902 14.687 andradite Ca3Fe2Si3O12 Ssln ID, Coef: 8 2.000 P-T:All Wt.(g/mol) = 508.180 V(cc/mol) = 132.040 D(g/cc) = 3.849 Ref: H&P2011 6 3.000 9 3.000 7 -1.000 2 2.000 11 0.500 31 -10.000 1 19.457 17.275 15.316 13.625 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.457 17.275 15.316 13.625 12.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.459 17.277 15.318 13.626 12.168 10.898 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.462 17.280 15.321 13.630 12.172 10.901 9.775 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.468 17.286 15.327 13.636 12.178 10.907 9.782 8.762 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.476 17.295 15.336 13.645 12.187 10.917 9.792 8.773 7.829 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.489 17.308 15.350 13.658 12.201 10.931 9.807 8.789 7.847 6.945 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.507 17.327 15.369 13.677 12.220 10.951 9.828 8.812 7.872 6.974 6.077 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.531 17.353 15.395 13.704 12.247 10.979 9.857 8.843 7.906 7.013 6.123 5.195 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.563 17.387 15.429 13.738 12.282 11.015 9.895 8.884 7.951 7.064 6.184 5.272 4.297 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.603 17.429 15.472 13.782 12.326 11.061 9.944 8.937 8.009 7.129 6.262 5.369 4.418 3.431 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.651 17.482 15.526 13.836 12.382 11.119 10.005 9.003 8.081 7.211 6.360 5.491 4.574 3.590 2.741 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.686 17.521 15.566 13.877 12.424 11.163 10.051 9.052 8.136 7.273 6.433 5.583 4.692 3.729 2.650 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.734 17.574 15.621 13.934 12.482 11.223 10.115 9.121 8.212 7.359 6.534 5.710 4.856 3.936 2.802 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.778 17.624 15.674 13.988 12.538 11.281 10.176 9.188 8.285 7.441 6.632 5.830 5.013 4.142 3.052 12.284 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.818 17.672 15.724 14.039 12.591 11.337 10.236 9.252 8.355 7.521 6.724 5.945 5.161 4.340 3.327 6.681 9.186 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.854 17.716 15.771 14.088 12.642 11.390 10.292 9.313 8.423 7.597 6.813 6.054 5.302 4.528 3.601 5.369 6.321 7.916 10.082 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.887 17.757 15.816 14.135 12.690 11.441 10.347 9.372 8.488 7.670 6.898 6.158 5.434 4.704 3.862 4.832 5.287 6.039 7.166 8.609 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.917 17.796 15.858 14.179 12.737 11.490 10.399 9.429 8.550 7.740 6.980 6.256 5.557 4.868 4.103 4.569 4.801 5.196 5.802 6.644 7.677 8.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.944 17.832 15.898 14.222 12.781 11.537 10.450 9.484 8.611 7.808 7.058 6.349 5.673 5.018 4.323 4.437 4.547 4.760 5.102 5.596 6.247 7.023 7.838 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.967 17.866 15.936 14.262 12.824 11.582 10.498 9.536 8.669 7.873 7.133 6.437 5.781 5.156 4.520 4.376 4.413 4.519 4.711 5.005 5.412 5.929 6.531 7.170 7.783 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.988 17.897 15.971 14.300 12.864 11.625 10.544 9.587 8.725 7.936 7.204 6.521 5.881 5.281 4.694 4.358 4.347 4.386 4.485 4.656 4.908 5.246 5.664 6.145 6.658 7.167 7.640 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.005 17.925 16.004 14.336 12.903 11.667 10.589 9.636 8.779 7.996 7.272 6.600 5.974 5.395 4.846 4.368 4.323 4.317 4.355 4.446 4.597 4.813 5.095 5.439 5.831 6.253 6.683 7.100 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.020 17.951 16.035 14.370 12.940 11.706 10.632 9.683 8.831 8.054 7.338 6.675 6.061 5.498 4.978 4.396 4.328 4.290 4.286 4.323 4.404 4.536 4.721 4.959 5.245 5.571 5.925 6.293 6.663 7.027 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.032 17.975 16.065 14.403 12.974 11.744 10.673 9.728 8.881 8.110 7.401 6.746 6.142 5.591 5.092 4.436 4.351 4.290 4.257 4.254 4.288 4.360 4.475 4.633 4.835 5.076 5.352 5.653 5.973 6.304 6.641 99999.999 99999.999 99999.999 99999.999 99999.999 20.041 17.997 16.092 14.433 13.008 11.780 10.712 9.771 8.929 8.164 7.461 6.814 6.218 5.676 5.190 4.485 4.387 4.310 4.254 4.224 4.222 4.251 4.314 4.413 4.549 4.722 4.928 5.164 5.426 5.707 6.005 6.316 6.640 99999.999 99999.999 99999.999 20.047 18.016 16.117 14.462 13.039 11.814 10.750 9.813 8.975 8.216 7.519 6.878 6.290 5.755 5.276 4.540 4.433 4.342 4.270 4.219 4.191 4.188 4.213 4.268 4.354 4.471 4.619 4.797 5.002 5.232 5.482 5.752 6.039 6.344 99999.999 99999.999 20.051 18.034 16.140 14.489 13.069 11.847 10.786 9.853 9.020 8.266 7.575 6.940 6.358 5.828 5.354 4.599 4.485 4.385 4.300 4.233 4.186 4.159 4.155 4.175 4.222 4.296 4.397 4.526 4.681 4.861 5.065 5.290 5.535 5.801 6.087 6.394 20.053 18.049 16.162 14.514 13.098 11.878 10.821 9.891 9.063 8.314 7.629 7.000 6.423 5.897 5.425 4.661 4.541 4.434 4.340 4.261 4.198 4.153 4.127 4.121 4.138 4.177 4.241 4.329 4.441 4.577 4.737 4.919 5.123 5.347 5.593 5.860 19.946 18.102 16.288 14.685 13.303 12.115 11.090 10.198 9.412 8.710 8.078 7.502 6.976 6.496 6.059 5.307 5.174 5.047 4.926 4.810 4.700 4.595 4.496 4.403 4.315 4.234 4.158 4.090 4.028 3.973 3.926 3.887 3.856 3.834 3.821 3.817 19.650 17.999 16.276 14.729 13.389 12.237 11.246 10.388 9.640 8.981 8.393 7.864 7.385 6.951 6.556 5.871 5.749 5.631 5.517 5.406 5.300 5.197 5.097 5.000 4.906 4.814 4.725 4.639 4.555 4.474 4.395 4.318 4.243 4.171 4.101 4.034 19.205 17.772 16.154 14.673 13.380 12.267 11.311 10.488 9.776 9.154 8.606 8.119 7.683 7.291 6.937 6.327 6.219 6.114 6.013 5.915 5.821 5.729 5.640 5.553 5.468 5.385 5.303 5.224 5.145 5.068 4.991 4.916 4.841 4.767 4.693 4.619 18.638 17.443 15.943 14.534 13.293 12.222 11.303 10.515 9.837 9.251 8.740 8.291 7.894 7.540 7.225 6.688 6.594 6.503 6.415 6.331 6.250 6.171 6.094 6.020 5.948 5.877 5.808 5.739 5.672 5.606 5.540 5.475 5.410 5.345 5.280 5.215 17.972 17.031 15.656 14.326 13.142 12.116 11.236 10.483 9.838 9.285 8.808 8.394 8.033 7.716 7.436 6.968 6.887 6.810 6.735 6.664 6.596 6.530 6.466 6.404 6.345 6.286 6.230 6.174 6.119 6.065 6.012 5.958 5.905 5.852 5.799 5.746 17.222 16.549 15.307 14.060 12.937 11.958 11.118 10.400 9.789 9.268 8.823 8.442 8.114 7.830 7.583 7.181 7.112 7.047 6.985 6.926 6.870 6.816 6.765 6.715 6.668 6.621 6.576 6.533 6.490 6.447 6.406 6.365 6.323 6.282 6.241 6.199 16.402 16.008 14.904 13.745 12.685 11.756 10.957 10.276 9.697 9.208 8.794 8.443 8.146 7.893 7.678 7.336 7.279 7.226 7.176 7.128 7.083 7.041 7.001 6.963 6.926 6.891 6.857 6.824 6.793 6.761 6.731 6.701 6.671 6.641 6.610 6.580 99999.999 15.415 14.455 13.387 12.392 11.515 10.758 10.114 9.569 9.111 8.727 8.405 8.137 7.913 7.727 7.442 7.396 7.354 7.315 7.278 7.244 7.212 7.183 7.155 7.129 7.104 7.080 7.058 7.036 7.016 6.995 6.975 6.955 6.935 6.915 6.895 grossular Ca3Al2Si3O12 Ssln ID, Coef: 8 2.000 P-T:All Wt.(g/mol) = 450.450 V(cc/mol) = 125.350 D(g/cc) = 3.594 Ref: H&P2011 4 3.000 9 2.000 8 3.000 7 -12.000 1 54.595 47.930 42.106 37.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.595 47.930 42.106 37.050 32.632 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.597 47.933 42.108 37.053 32.635 28.732 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.602 47.938 42.113 37.058 32.640 28.737 25.245 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.610 47.946 42.122 37.066 32.649 28.746 25.254 22.087 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.622 47.959 42.135 37.080 32.662 28.760 25.268 22.102 19.191 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.641 47.979 42.155 37.099 32.682 28.780 25.290 22.125 19.216 16.496 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.667 48.006 42.183 37.128 32.711 28.810 25.321 22.158 19.252 16.536 13.938 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.702 48.044 42.221 37.166 32.750 28.850 25.363 22.203 19.302 16.592 14.003 11.466 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.749 48.094 42.272 37.217 32.801 28.903 25.418 22.263 19.366 16.665 14.089 11.572 9.075 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.808 48.158 42.336 37.282 32.867 28.971 25.489 22.339 19.449 16.758 14.199 11.708 9.239 6.854 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.880 48.237 42.417 37.364 32.950 29.056 25.579 22.435 19.554 16.875 14.337 11.879 9.452 7.048 5.084 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.934 48.297 42.478 37.425 33.013 29.121 25.647 22.508 19.633 16.964 14.441 12.008 9.615 7.229 4.845 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.009 48.379 42.563 37.512 33.101 29.212 25.742 22.609 19.744 17.088 14.586 12.187 9.844 7.507 4.987 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.078 48.458 42.645 37.595 33.186 29.299 25.834 22.707 19.851 17.207 14.725 12.358 10.064 7.789 5.304 19.628 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.144 48.534 42.724 37.675 33.268 29.384 25.924 22.803 19.954 17.323 14.859 12.522 10.273 8.064 5.673 9.772 13.903 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.206 48.606 42.800 37.753 33.347 29.466 26.010 22.895 20.055 17.434 14.988 12.678 10.472 8.327 6.050 7.469 8.860 11.417 15.143 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.265 48.676 42.873 37.828 33.424 29.546 26.094 22.984 20.152 17.542 15.112 12.827 10.660 8.575 6.413 6.494 7.023 8.084 9.837 12.242 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.319 48.742 42.943 37.900 33.498 29.623 26.175 23.071 20.246 17.646 15.231 12.969 10.836 8.805 6.751 5.992 6.133 6.569 7.389 8.655 10.320 12.165 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.370 48.805 43.010 37.970 33.570 29.698 26.253 23.155 20.337 17.747 15.345 13.103 11.001 9.018 7.060 5.715 5.644 5.760 6.113 6.749 7.690 8.895 10.243 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.418 48.865 43.075 38.037 33.640 29.770 26.330 23.237 20.425 17.844 15.455 13.232 11.156 9.213 7.337 5.563 5.362 5.292 5.380 5.658 6.151 6.861 7.759 8.770 9.799 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.462 48.922 43.137 38.102 33.707 29.840 26.403 23.316 20.511 17.939 15.561 13.353 11.300 9.391 7.582 5.488 5.201 5.011 4.935 4.995 5.208 5.587 6.128 6.809 7.584 8.394 9.187 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.503 48.977 43.197 38.164 33.772 29.908 26.475 23.392 20.594 18.030 15.663 13.469 11.435 9.553 7.796 5.462 5.116 4.845 4.661 4.577 4.608 4.764 5.052 5.466 5.988 6.591 7.239 7.898 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.540 49.029 43.254 38.225 33.835 29.974 26.545 23.467 20.675 18.119 15.762 13.580 11.561 9.699 7.981 5.470 5.081 4.752 4.493 4.311 4.217 4.221 4.329 4.544 4.859 5.263 5.738 6.260 6.811 7.376 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.575 49.078 43.309 38.283 33.895 30.037 26.612 23.539 20.754 18.205 15.856 13.685 11.679 9.833 8.141 5.501 5.081 4.710 4.395 4.144 3.962 3.858 3.838 3.904 4.059 4.297 4.611 4.987 5.414 5.877 6.368 99999.999 99999.999 99999.999 99999.999 99999.999 55.607 49.125 43.362 38.339 33.954 30.099 26.677 23.609 20.830 18.288 15.948 13.786 11.790 9.955 8.279 5.550 5.105 4.703 4.347 4.044 3.799 3.616 3.501 3.458 3.490 3.596 3.773 4.016 4.317 4.666 5.058 5.486 5.948 99999.999 99999.999 99999.999 55.636 49.169 43.413 38.393 34.011 30.159 26.741 23.677 20.903 18.369 16.037 13.883 11.895 10.067 8.399 5.610 5.146 4.720 4.334 3.993 3.699 3.457 3.272 3.147 3.085 3.087 3.153 3.282 3.468 3.708 3.997 4.329 4.702 5.113 99999.999 99999.999 55.662 49.211 43.461 38.445 34.066 30.216 26.802 23.743 20.975 18.447 16.122 13.976 11.995 10.172 8.507 5.679 5.201 4.756 4.347 3.975 3.645 3.358 3.120 2.932 2.797 2.718 2.695 2.729 2.818 2.959 3.150 3.388 3.670 3.994 4.360 4.767 55.685 49.251 43.508 38.495 34.119 30.272 26.862 23.807 21.045 18.523 16.206 14.067 12.092 10.273 8.608 5.755 5.266 4.806 4.378 3.983 3.624 3.303 3.023 2.786 2.595 2.452 2.358 2.315 2.321 2.378 2.482 2.633 2.828 3.067 3.347 3.670 55.781 49.535 43.869 38.901 34.558 30.743 27.367 24.354 21.642 19.179 16.925 14.852 12.937 11.167 9.532 6.628 6.102 5.593 5.100 4.625 4.166 3.723 3.296 2.885 2.491 2.113 1.752 1.408 1.081 0.772 0.481 0.209 -0.044 -0.278 -0.492 -0.686 55.669 49.642 44.074 39.161 34.858 31.077 27.735 24.761 22.092 19.678 17.479 15.462 13.604 11.888 10.299 7.458 6.938 6.432 5.940 5.462 4.996 4.543 4.101 3.671 3.251 2.842 2.443 2.054 1.674 1.304 0.943 0.591 0.247 -0.088 -0.414 -0.733 55.390 49.610 44.153 39.305 35.047 31.303 27.997 25.058 22.428 20.057 17.905 15.938 14.132 12.466 10.926 8.168 7.663 7.171 6.691 6.225 5.770 5.326 4.892 4.469 4.054 3.649 3.252 2.863 2.482 2.108 1.740 1.379 1.023 0.673 0.328 -0.012 54.977 49.464 44.129 39.354 35.146 31.443 28.172 25.268 22.674 20.342 18.231 16.310 14.550 12.930 11.435 8.764 8.274 7.797 7.333 6.882 6.441 6.011 5.591 5.181 4.779 4.386 4.001 3.624 3.253 2.889 2.531 2.178 1.830 1.487 1.149 0.814 54.455 49.224 44.021 39.324 35.170 31.510 28.276 25.407 22.847 20.550 18.478 16.596 14.878 13.301 11.848 9.258 8.784 8.323 7.875 7.438 7.012 6.597 6.192 5.796 5.409 5.030 4.659 4.295 3.938 3.588 3.243 2.903 2.569 2.239 1.913 1.591 53.841 48.905 43.841 39.227 35.132 31.517 28.321 25.486 22.960 20.696 18.658 16.813 15.133 13.595 12.181 9.668 9.209 8.763 8.329 7.906 7.495 7.094 6.703 6.321 5.948 5.583 5.226 4.877 4.533 4.197 3.866 3.540 3.219 2.903 2.591 2.284 53.151 48.521 43.600 39.074 35.040 31.472 28.315 25.515 23.021 20.790 18.784 16.972 15.326 13.824 12.446 10.004 9.559 9.127 8.707 8.298 7.900 7.513 7.135 6.767 6.407 6.055 5.711 5.375 5.045 4.721 4.403 4.091 3.783 3.481 3.182 2.887 99999.999 48.081 43.307 38.871 34.901 31.382 28.266 25.501 23.040 20.840 18.864 17.083 15.469 13.999 12.655 10.279 9.846 9.427 9.020 8.624 8.238 7.864 7.498 7.142 6.795 6.455 6.124 5.799 5.481 5.170 4.864 4.564 4.269 3.978 3.692 3.409 anhydrite CaSO4 P-T:All Wt.(g/mol) = 136.140 V(cc/mol) = 45.940 D(g/cc) = 2.963 Ref: H&P2011 2 1.000 9 1.000 4 -4.058 -4.265 -4.580 -4.949 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.058 -4.265 -4.580 -4.949 -5.353 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.056 -4.264 -4.579 -4.948 -5.352 -5.787 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.053 -4.262 -4.577 -4.946 -5.351 -5.785 -6.248 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.049 -4.258 -4.574 -4.943 -5.347 -5.782 -6.245 -6.739 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.042 -4.252 -4.568 -4.938 -5.343 -5.777 -6.240 -6.734 -7.264 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.031 -4.243 -4.560 -4.930 -5.335 -5.769 -6.232 -6.725 -7.254 -7.830 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.015 -4.230 -4.549 -4.919 -5.324 -5.758 -6.220 -6.712 -7.239 -7.813 -8.452 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.994 -4.213 -4.533 -4.905 -5.310 -5.743 -6.204 -6.695 -7.220 -7.790 -8.423 -9.153 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.965 -4.190 -4.512 -4.885 -5.290 -5.724 -6.183 -6.672 -7.194 -7.759 -8.385 -9.100 -9.955 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.928 -4.159 -4.485 -4.859 -5.265 -5.698 -6.156 -6.643 -7.161 -7.720 -8.336 -9.034 -9.859 -10.897 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.880 -4.121 -4.450 -4.826 -5.233 -5.665 -6.122 -6.605 -7.119 -7.671 -8.274 -8.953 -9.742 -10.715 -12.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.844 -4.091 -4.424 -4.801 -5.208 -5.640 -6.095 -6.577 -7.087 -7.633 -8.228 -8.892 -9.656 -10.584 -11.884 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.792 -4.048 -4.386 -4.765 -5.173 -5.604 -6.058 -6.536 -7.042 -7.581 -8.164 -8.809 -9.540 -10.411 -11.591 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.741 -4.006 -4.348 -4.730 -5.139 -5.569 -6.021 -6.497 -6.998 -7.530 -8.103 -8.730 -9.432 -10.252 -11.330 -12.773 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.691 -3.965 -4.311 -4.695 -5.104 -5.535 -5.985 -6.458 -6.955 -7.481 -8.044 -8.655 -9.331 -10.106 -11.095 -12.272 -12.806 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.641 -3.924 -4.274 -4.660 -5.071 -5.501 -5.950 -6.420 -6.913 -7.433 -7.987 -8.583 -9.236 -9.972 -10.883 -12.059 -12.455 -12.951 -13.711 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.592 -3.884 -4.238 -4.626 -5.037 -5.467 -5.915 -6.383 -6.872 -7.387 -7.932 -8.515 -9.146 -9.848 -10.691 -11.880 -12.236 -12.633 -13.106 -13.735 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.543 -3.844 -4.202 -4.593 -5.004 -5.434 -5.881 -6.346 -6.832 -7.342 -7.879 -8.450 -9.063 -9.734 -10.518 -11.723 -12.055 -12.411 -12.805 -13.261 -13.820 -14.530 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.495 -3.804 -4.167 -4.559 -4.972 -5.401 -5.847 -6.310 -6.793 -7.298 -7.828 -8.388 -8.984 -9.628 -10.363 -11.581 -11.895 -12.227 -12.583 -12.972 -13.412 -13.925 -14.536 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.448 -3.765 -4.132 -4.526 -4.940 -5.369 -5.814 -6.275 -6.754 -7.254 -7.778 -8.329 -8.910 -9.531 -10.223 -11.451 -11.751 -12.066 -12.397 -12.751 -13.134 -13.558 -14.037 -14.582 -15.200 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.401 -3.727 -4.097 -4.494 -4.908 -5.337 -5.781 -6.240 -6.716 -7.212 -7.730 -8.272 -8.840 -9.442 -10.099 -11.330 -11.619 -11.919 -12.233 -12.563 -12.914 -13.290 -13.699 -14.149 -14.645 -15.190 -15.780 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.355 -3.689 -4.063 -4.462 -4.877 -5.306 -5.748 -6.206 -6.679 -7.171 -7.683 -8.217 -8.774 -9.360 -9.987 -11.217 -11.497 -11.785 -12.085 -12.398 -12.726 -13.072 -13.440 -13.835 -14.259 -14.717 -15.208 -15.727 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.309 -3.651 -4.029 -4.430 -4.846 -5.275 -5.717 -6.172 -6.643 -7.131 -7.638 -8.165 -8.712 -9.283 -9.887 -11.111 -11.382 -11.661 -11.949 -12.248 -12.559 -12.884 -13.225 -13.584 -13.964 -14.367 -14.793 -15.240 -15.706 -16.185 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.264 -3.614 -3.996 -4.398 -4.815 -5.244 -5.685 -6.139 -6.607 -7.092 -7.594 -8.114 -8.653 -9.213 -9.798 -11.011 -11.274 -11.545 -11.823 -12.111 -12.408 -12.716 -13.037 -13.372 -13.722 -14.088 -14.471 -14.870 -15.282 -15.706 -16.135 99999.999 99999.999 99999.999 99999.999 99999.999 -3.220 -3.577 -3.963 -4.367 -4.785 -5.214 -5.654 -6.106 -6.572 -7.053 -7.551 -8.066 -8.597 -9.147 -9.717 -10.916 -11.173 -11.435 -11.705 -11.983 -12.269 -12.564 -12.870 -13.186 -13.514 -13.855 -14.207 -14.572 -14.946 -15.330 -15.719 -16.109 -16.496 99999.999 99999.999 99999.999 -3.175 -3.540 -3.930 -4.336 -4.755 -5.184 -5.623 -6.074 -6.537 -7.016 -7.509 -8.018 -8.543 -9.085 -9.644 -10.825 -11.076 -11.332 -11.594 -11.864 -12.140 -12.424 -12.717 -13.019 -13.330 -13.651 -13.981 -14.321 -14.668 -15.022 -15.381 -15.741 -16.099 -16.452 99999.999 99999.999 -3.132 -3.504 -3.897 -4.306 -4.725 -5.155 -5.593 -6.042 -6.504 -6.978 -7.468 -7.973 -8.492 -9.026 -9.577 -10.739 -10.984 -11.234 -11.489 -11.751 -12.019 -12.294 -12.576 -12.866 -13.164 -13.469 -13.783 -14.103 -14.430 -14.762 -15.097 -15.434 -15.770 -16.101 -16.426 -16.741 -3.089 -3.468 -3.865 -4.276 -4.696 -5.125 -5.563 -6.011 -6.470 -6.942 -7.428 -7.928 -8.442 -8.970 -9.513 -10.655 -10.895 -11.140 -11.390 -11.645 -11.905 -12.172 -12.445 -12.725 -13.011 -13.304 -13.604 -13.909 -14.220 -14.534 -14.852 -15.171 -15.489 -15.804 -16.113 -16.415 -2.680 -3.127 -3.558 -3.988 -4.418 -4.849 -5.283 -5.720 -6.161 -6.609 -7.065 -7.529 -8.000 -8.479 -8.965 -9.965 -10.170 -10.377 -10.586 -10.798 -11.012 -11.228 -11.447 -11.669 -11.893 -12.120 -12.350 -12.581 -12.815 -13.051 -13.289 -13.527 -13.767 -14.007 -14.247 -14.486 -2.309 -2.815 -3.276 -3.723 -4.162 -4.597 -5.029 -5.459 -5.889 -6.321 -6.755 -7.192 -7.634 -8.079 -8.527 -9.436 -9.620 -9.806 -9.992 -10.179 -10.368 -10.558 -10.749 -10.942 -11.136 -11.331 -11.528 -11.726 -11.926 -12.127 -12.330 -12.534 -12.738 -12.944 -13.151 -13.358 -1.967 -2.524 -3.013 -3.476 -3.925 -4.364 -4.796 -5.222 -5.644 -6.063 -6.482 -6.900 -7.319 -7.739 -8.159 -9.004 -9.173 -9.343 -9.514 -9.685 -9.857 -10.029 -10.202 -10.376 -10.551 -10.727 -10.903 -11.080 -11.258 -11.438 -11.618 -11.799 -11.981 -12.164 -12.348 -12.532 -1.647 -2.252 -2.766 -3.245 -3.703 -4.146 -4.579 -5.003 -5.420 -5.830 -6.237 -6.640 -7.042 -7.442 -7.841 -8.636 -8.795 -8.954 -9.113 -9.272 -9.432 -9.591 -9.751 -9.912 -10.073 -10.234 -10.396 -10.558 -10.721 -10.885 -11.049 -11.214 -11.380 -11.546 -11.714 -11.882 -1.347 -1.994 -2.533 -3.026 -3.493 -3.941 -4.376 -4.799 -5.212 -5.616 -6.014 -6.406 -6.793 -7.178 -7.559 -8.316 -8.466 -8.616 -8.767 -8.917 -9.067 -9.217 -9.367 -9.517 -9.667 -9.818 -9.969 -10.120 -10.272 -10.424 -10.576 -10.729 -10.883 -11.037 -11.192 -11.347 -1.061 -1.749 -2.310 -2.817 -3.293 -3.747 -4.184 -4.606 -5.017 -5.417 -5.808 -6.191 -6.568 -6.940 -7.307 -8.032 -8.175 -8.319 -8.462 -8.604 -8.747 -8.889 -9.031 -9.174 -9.316 -9.458 -9.601 -9.743 -9.886 -10.029 -10.172 -10.316 -10.460 -10.605 -10.750 -10.895 -0.788 -1.514 -2.097 -2.618 -3.102 -3.561 -4.001 -4.424 -4.833 -5.230 -5.616 -5.992 -6.360 -6.722 -7.078 -7.777 -7.915 -8.052 -8.189 -8.326 -8.462 -8.599 -8.734 -8.870 -9.006 -9.141 -9.277 -9.413 -9.548 -9.684 -9.820 -9.957 -10.093 -10.230 -10.368 -10.506 99999.999 -1.286 -1.892 -2.426 -2.919 -3.384 -3.826 -4.251 -4.659 -5.053 -5.435 -5.806 -6.168 -6.521 -6.868 -7.545 -7.678 -7.811 -7.943 -8.075 -8.206 -8.337 -8.468 -8.599 -8.729 -8.859 -8.989 -9.119 -9.249 -9.379 -9.509 -9.640 -9.770 -9.901 -10.033 -10.164 ankerite CaFeO6C2 P-T:All Wt.(g/mol) = 215.950 V(cc/mol) = 66.060 D(g/cc) = 3.269 Ref: H&P2011 4 1.000 9 1.000 11 2.000 5 -2.000 1 0.351 -0.287 -0.933 -1.562 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.351 -0.287 -0.933 -1.562 -2.177 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.353 -0.286 -0.931 -1.561 -2.176 -2.784 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.356 -0.283 -0.929 -1.559 -2.174 -2.782 -3.391 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.361 -0.279 -0.925 -1.555 -2.170 -2.778 -3.388 -4.009 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.370 -0.272 -0.919 -1.550 -2.165 -2.772 -3.381 -4.002 -4.645 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.382 -0.262 -0.910 -1.541 -2.156 -2.763 -3.372 -3.992 -4.633 -5.313 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.400 -0.248 -0.897 -1.529 -2.144 -2.751 -3.359 -3.977 -4.617 -5.294 -6.034 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.424 -0.228 -0.879 -1.512 -2.127 -2.734 -3.340 -3.957 -4.594 -5.267 -6.000 -6.832 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.456 -0.201 -0.855 -1.489 -2.105 -2.711 -3.316 -3.931 -4.564 -5.231 -5.955 -6.771 -7.731 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.498 -0.167 -0.825 -1.460 -2.076 -2.681 -3.285 -3.896 -4.525 -5.186 -5.898 -6.695 -7.622 -8.762 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.551 -0.124 -0.785 -1.423 -2.039 -2.644 -3.245 -3.853 -4.477 -5.128 -5.827 -6.601 -7.489 -8.564 -10.032 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.591 -0.090 -0.755 -1.394 -2.011 -2.615 -3.215 -3.820 -4.439 -5.085 -5.774 -6.530 -7.390 -8.419 -9.826 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.648 -0.043 -0.713 -1.354 -1.971 -2.575 -3.172 -3.774 -4.387 -5.024 -5.700 -6.434 -7.256 -8.223 -9.522 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.704 0.003 -0.671 -1.314 -1.932 -2.535 -3.130 -3.728 -4.337 -4.966 -5.629 -6.342 -7.131 -8.042 -9.235 -9.240 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.759 0.049 -0.630 -1.275 -1.894 -2.496 -3.089 -3.684 -4.287 -4.909 -5.560 -6.255 -7.013 -7.874 -8.969 -9.596 -9.735 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.813 0.093 -0.589 -1.237 -1.856 -2.457 -3.049 -3.640 -4.239 -4.854 -5.494 -6.172 -6.903 -7.718 -8.726 -9.585 -9.824 -10.062 -10.466 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.865 0.137 -0.550 -1.199 -1.819 -2.419 -3.009 -3.598 -4.192 -4.800 -5.431 -6.093 -6.799 -7.574 -8.504 -9.493 -9.767 -10.035 -10.322 -10.708 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.917 0.180 -0.511 -1.162 -1.782 -2.382 -2.971 -3.556 -4.146 -4.748 -5.370 -6.017 -6.702 -7.442 -8.303 -9.381 -9.665 -9.947 -10.235 -10.547 -10.928 -11.447 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.967 0.223 -0.472 -1.125 -1.746 -2.346 -2.932 -3.515 -4.101 -4.698 -5.310 -5.946 -6.611 -7.320 -8.122 -9.265 -9.549 -9.835 -10.125 -10.425 -10.749 -11.125 -11.588 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.017 0.264 -0.434 -1.089 -1.711 -2.310 -2.895 -3.475 -4.057 -4.648 -5.253 -5.877 -6.525 -7.208 -7.960 -9.150 -9.431 -9.716 -10.005 -10.300 -10.606 -10.936 -11.304 -11.730 -12.229 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.066 0.305 -0.397 -1.054 -1.676 -2.275 -2.858 -3.436 -4.014 -4.600 -5.198 -5.812 -6.445 -7.104 -7.816 -9.037 -9.315 -9.596 -9.881 -10.171 -10.469 -10.780 -11.109 -11.468 -11.866 -12.311 -12.803 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.114 0.346 -0.360 -1.019 -1.642 -2.240 -2.822 -3.397 -3.972 -4.553 -5.144 -5.749 -6.369 -7.010 -7.687 -8.928 -9.201 -9.478 -9.758 -10.044 -10.335 -10.634 -10.945 -11.271 -11.619 -11.994 -12.399 -12.832 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.161 0.385 -0.324 -0.984 -1.608 -2.206 -2.787 -3.359 -3.931 -4.507 -5.092 -5.689 -6.298 -6.922 -7.573 -8.823 -9.091 -9.363 -9.638 -9.918 -10.204 -10.495 -10.793 -11.102 -11.423 -11.760 -12.114 -12.487 -12.876 -13.278 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.207 0.424 -0.288 -0.950 -1.575 -2.172 -2.752 -3.322 -3.891 -4.463 -5.042 -5.631 -6.230 -6.842 -7.471 -8.721 -8.985 -9.252 -9.522 -9.797 -10.076 -10.360 -10.650 -10.947 -11.252 -11.566 -11.891 -12.227 -12.574 -12.928 -13.287 99999.999 99999.999 99999.999 99999.999 99999.999 1.252 0.463 -0.253 -0.917 -1.542 -2.139 -2.717 -3.286 -3.851 -4.419 -4.993 -5.575 -6.166 -6.767 -7.380 -8.623 -8.882 -9.144 -9.410 -9.679 -9.953 -10.230 -10.513 -10.801 -11.094 -11.394 -11.701 -12.014 -12.333 -12.657 -12.984 -13.309 -13.629 99999.999 99999.999 99999.999 1.297 0.501 -0.219 -0.884 -1.509 -2.106 -2.683 -3.250 -3.812 -4.376 -4.945 -5.521 -6.105 -6.697 -7.298 -8.529 -8.783 -9.040 -9.301 -9.566 -9.834 -10.105 -10.382 -10.662 -10.947 -11.236 -11.530 -11.828 -12.129 -12.434 -12.738 -13.041 -13.340 -13.629 99999.999 99999.999 1.340 0.538 -0.185 -0.852 -1.478 -2.074 -2.650 -3.214 -3.774 -4.334 -4.899 -5.469 -6.046 -6.630 -7.222 -8.437 -8.687 -8.940 -9.196 -9.456 -9.719 -9.985 -10.255 -10.529 -10.806 -11.087 -11.372 -11.659 -11.948 -12.239 -12.529 -12.817 -13.100 -13.376 -13.642 -13.895 1.383 0.575 -0.151 -0.820 -1.446 -2.042 -2.617 -3.180 -3.737 -4.293 -4.853 -5.418 -5.990 -6.567 -7.151 -8.349 -8.595 -8.844 -9.095 -9.350 -9.608 -9.869 -10.133 -10.401 -10.672 -10.946 -11.223 -11.502 -11.782 -12.062 -12.342 -12.619 -12.892 -13.159 -13.417 -13.664 1.773 0.913 0.161 -0.521 -1.153 -1.747 -2.314 -2.861 -3.395 -3.921 -4.445 -4.967 -5.489 -6.013 -6.537 -7.595 -7.809 -8.024 -8.241 -8.459 -8.678 -8.900 -9.123 -9.347 -9.574 -9.802 -10.031 -10.262 -10.495 -10.728 -10.961 -11.194 -11.428 -11.660 -11.890 -12.119 2.104 1.207 0.436 -0.257 -0.893 -1.486 -2.047 -2.583 -3.100 -3.605 -4.101 -4.592 -5.078 -5.562 -6.044 -7.005 -7.197 -7.390 -7.583 -7.777 -7.972 -8.167 -8.363 -8.561 -8.759 -8.958 -9.158 -9.360 -9.562 -9.765 -9.970 -10.175 -10.381 -10.588 -10.795 -11.003 2.387 1.466 0.681 -0.020 -0.660 -1.252 -1.808 -2.336 -2.841 -3.329 -3.804 -4.270 -4.729 -5.183 -5.632 -6.520 -6.696 -6.873 -7.049 -7.225 -7.402 -7.579 -7.756 -7.934 -8.112 -8.291 -8.470 -8.650 -8.831 -9.013 -9.195 -9.378 -9.563 -9.747 -9.933 -10.120 2.633 1.697 0.901 0.194 -0.447 -1.039 -1.592 -2.113 -2.608 -3.083 -3.542 -3.989 -4.426 -4.856 -5.278 -6.108 -6.273 -6.436 -6.600 -6.763 -6.926 -7.088 -7.251 -7.414 -7.577 -7.741 -7.904 -8.068 -8.233 -8.398 -8.564 -8.730 -8.897 -9.065 -9.233 -9.402 2.847 1.904 1.102 0.391 -0.253 -0.844 -1.394 -1.910 -2.397 -2.862 -3.308 -3.739 -4.159 -4.568 -4.969 -5.752 -5.907 -6.060 -6.213 -6.365 -6.517 -6.669 -6.821 -6.972 -7.123 -7.274 -7.426 -7.577 -7.729 -7.881 -8.034 -8.187 -8.340 -8.495 -8.649 -8.805 3.037 2.092 1.285 0.571 -0.074 -0.664 -1.212 -1.723 -2.204 -2.661 -3.096 -3.515 -3.919 -4.312 -4.695 -5.439 -5.585 -5.730 -5.875 -6.018 -6.161 -6.304 -6.446 -6.588 -6.730 -6.872 -7.013 -7.155 -7.296 -7.438 -7.580 -7.723 -7.865 -8.009 -8.152 -8.297 3.206 2.264 1.454 0.738 0.093 -0.497 -1.042 -1.549 -2.026 -2.475 -2.902 -3.310 -3.702 -4.081 -4.450 -5.161 -5.300 -5.438 -5.575 -5.711 -5.847 -5.982 -6.117 -6.251 -6.385 -6.518 -6.652 -6.785 -6.919 -7.052 -7.186 -7.319 -7.454 -7.588 -7.723 -7.858 99999.999 2.422 1.611 0.893 0.248 -0.341 -0.883 -1.388 -1.859 -2.303 -2.723 -3.122 -3.504 -3.872 -4.228 -4.911 -5.043 -5.175 -5.306 -5.437 -5.566 -5.695 -5.823 -5.951 -6.078 -6.205 -6.332 -6.458 -6.585 -6.711 -6.838 -6.965 -7.092 -7.219 -7.347 -7.475 annite KFe3AlSi3O12H2 Ssln ID, Coef: 15 3.000 P-T:All Wt.(g/mol) = 511.890 V(cc/mol) = 154.320 D(g/cc) = 3.317 Ref: H&P2011 5 1.000 12 3.000 11 1.000 8 3.000 7 -10.000 1 35.076 30.526 26.520 23.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.076 30.526 26.520 23.050 20.035 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.078 30.528 26.522 23.053 20.038 17.391 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.082 30.532 26.526 23.057 20.042 17.395 15.042 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.089 30.540 26.534 23.065 20.050 17.403 15.050 12.926 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.100 30.551 26.546 23.077 20.062 17.415 15.062 12.940 10.995 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.116 30.569 26.563 23.094 20.079 17.434 15.081 12.960 11.017 9.201 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.138 30.593 26.589 23.119 20.105 17.460 15.108 12.988 11.048 9.236 7.498 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.169 30.627 26.623 23.154 20.140 17.495 15.145 13.028 11.090 9.283 7.553 5.844 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.209 30.671 26.668 23.199 20.185 17.542 15.194 13.079 11.146 9.345 7.625 5.932 4.235 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.259 30.727 26.726 23.257 20.244 17.602 15.257 13.146 11.218 9.425 7.718 6.046 4.372 2.737 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.322 30.798 26.798 23.330 20.318 17.678 15.335 13.229 11.308 9.525 7.834 6.188 4.548 2.903 1.555 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.368 30.850 26.852 23.386 20.374 17.735 15.395 13.292 11.376 9.601 7.922 6.296 4.684 3.055 1.394 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.431 30.923 26.928 23.462 20.452 17.815 15.479 13.381 11.471 9.706 8.044 6.445 4.873 3.286 1.528 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.489 30.992 27.001 23.537 20.528 17.893 15.559 13.466 11.563 9.808 8.161 6.588 5.054 3.518 1.794 13.032 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.545 31.059 27.070 23.608 20.600 17.968 15.637 13.549 11.652 9.906 8.274 6.724 5.227 3.744 2.098 5.594 8.781 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.596 31.122 27.138 23.677 20.671 18.040 15.713 13.629 11.738 10.001 8.383 6.854 5.391 3.959 2.406 3.864 4.981 6.975 9.832 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.644 31.182 27.202 23.743 20.739 18.110 15.786 13.707 11.822 10.093 8.487 6.978 5.546 4.162 2.701 3.140 3.605 4.472 5.855 7.719 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.688 31.239 27.264 23.807 20.805 18.178 15.857 13.782 11.903 10.182 8.587 7.097 5.692 4.351 2.976 2.775 2.947 3.340 4.022 5.035 6.342 7.771 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.729 31.294 27.323 23.869 20.868 18.244 15.926 13.855 11.981 10.268 8.684 7.209 5.829 4.526 3.227 2.579 2.591 2.743 3.072 3.613 4.380 5.340 6.399 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.767 31.346 27.380 23.928 20.929 18.307 15.992 13.925 12.057 10.351 8.777 7.317 5.957 4.686 3.452 2.477 2.392 2.403 2.533 2.804 3.235 3.827 4.555 5.363 6.176 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.802 31.395 27.435 23.986 20.989 18.369 16.057 13.994 12.131 10.431 8.866 7.419 6.077 4.833 3.652 2.433 2.283 2.205 2.211 2.318 2.538 2.882 3.346 3.910 4.541 5.194 5.828 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.834 31.442 27.487 24.041 21.046 18.428 16.119 14.060 12.202 10.509 8.952 7.516 6.189 4.966 3.828 2.426 2.231 2.092 2.017 2.016 2.100 2.277 2.551 2.917 3.363 3.865 4.398 4.935 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.863 31.486 27.537 24.094 21.101 18.486 16.180 14.124 12.272 10.584 9.036 7.608 6.294 5.088 3.980 2.443 2.217 2.034 1.902 1.828 1.819 1.881 2.021 2.239 2.530 2.887 3.293 3.733 4.192 4.658 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.889 31.528 27.585 24.145 21.155 18.542 16.239 14.187 12.339 10.657 9.116 7.697 6.393 5.199 4.112 2.479 2.228 2.014 1.841 1.715 1.639 1.621 1.664 1.772 1.944 2.177 2.465 2.798 3.167 3.562 3.976 99999.999 99999.999 99999.999 99999.999 99999.999 35.912 31.567 27.631 24.194 21.206 18.596 16.295 14.247 12.404 10.728 9.193 7.782 6.485 5.301 4.227 2.526 2.258 2.020 1.817 1.652 1.529 1.451 1.424 1.450 1.530 1.665 1.852 2.086 2.363 2.675 3.017 3.385 3.778 99999.999 99999.999 99999.999 35.932 31.605 27.675 24.241 21.256 18.648 16.351 14.306 12.467 10.797 9.268 7.863 6.573 5.395 4.328 2.582 2.300 2.045 1.819 1.625 1.465 1.344 1.264 1.228 1.238 1.296 1.400 1.550 1.742 1.973 2.240 2.538 2.866 3.223 99999.999 99999.999 35.950 31.640 27.716 24.287 21.304 18.698 16.404 14.363 12.529 10.863 9.340 7.941 6.657 5.483 4.419 2.644 2.352 2.083 1.839 1.623 1.436 1.282 1.162 1.079 1.035 1.031 1.070 1.149 1.269 1.427 1.621 1.850 2.111 2.404 2.727 3.082 35.965 31.673 27.756 24.331 21.350 18.747 16.456 14.418 12.588 10.928 9.410 8.017 6.738 5.567 4.504 2.711 2.410 2.131 1.873 1.640 1.432 1.252 1.101 0.982 0.895 0.844 0.829 0.851 0.910 1.005 1.135 1.299 1.496 1.726 1.986 2.278 35.991 31.895 28.061 24.680 21.730 19.155 16.892 14.888 13.098 11.483 10.016 8.675 7.444 6.313 5.275 3.453 3.126 2.811 2.507 2.215 1.934 1.664 1.406 1.158 0.922 0.697 0.483 0.282 0.092 -0.085 -0.249 -0.399 -0.537 -0.660 -0.769 -0.864 35.822 31.955 28.221 24.895 21.983 19.438 17.205 15.232 13.477 11.902 10.478 9.182 7.997 6.909 5.909 4.141 3.820 3.509 3.207 2.914 2.630 2.354 2.086 1.825 1.571 1.325 1.085 0.851 0.624 0.403 0.187 -0.022 -0.226 -0.424 -0.616 -0.803 35.498 31.885 28.265 25.003 22.136 19.625 17.422 15.480 13.757 12.217 10.831 9.575 8.431 7.383 6.422 4.722 4.413 4.114 3.823 3.540 3.265 2.997 2.736 2.482 2.234 1.992 1.755 1.523 1.296 1.073 0.854 0.640 0.429 0.221 0.016 -0.186 35.049 31.710 28.214 25.025 22.206 19.733 17.562 15.650 13.957 12.449 11.097 9.877 8.770 7.760 6.836 5.205 4.910 4.623 4.344 4.073 3.810 3.554 3.305 3.062 2.824 2.593 2.366 2.143 1.925 1.711 1.501 1.294 1.090 0.889 0.690 0.494 34.497 31.448 28.085 24.974 22.208 19.775 17.638 15.756 14.092 12.614 11.294 10.107 9.033 8.058 7.168 5.604 5.320 5.046 4.780 4.522 4.271 4.027 3.789 3.558 3.332 3.112 2.897 2.686 2.479 2.276 2.077 1.881 1.688 1.498 1.310 1.124 33.860 31.113 27.890 24.862 22.153 19.762 17.660 15.809 14.175 12.725 11.433 10.276 9.234 8.290 7.432 5.929 5.658 5.396 5.142 4.895 4.656 4.424 4.198 3.978 3.764 3.555 3.351 3.151 2.956 2.765 2.577 2.392 2.210 2.031 1.854 1.680 33.151 30.716 27.639 24.698 22.048 19.703 17.637 15.817 14.212 12.790 11.525 10.396 9.382 8.468 7.639 6.194 5.934 5.683 5.440 5.205 4.977 4.755 4.540 4.331 4.128 3.929 3.736 3.547 3.363 3.182 3.005 2.831 2.660 2.491 2.325 2.162 99999.999 30.267 27.340 24.489 21.901 19.603 17.574 15.787 14.210 12.815 11.577 10.474 9.486 8.599 7.797 6.406 6.157 5.917 5.684 5.459 5.241 5.030 4.825 4.626 4.432 4.244 4.061 3.882 3.707 3.536 3.369 3.205 3.043 2.885 2.729 2.575 phlogopite KMg3AlSi3O12H2 Ssln ID, Coef: 15 3.000 P-T:All Wt.(g/mol) = 417.290 V(cc/mol) = 149.640 D(g/cc) = 2.789 Ref: H&P2011 5 1.000 12 3.000 10 1.000 8 3.000 7 -10.000 1 44.524 39.163 34.487 30.462 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.524 39.163 34.487 30.462 26.982 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.526 39.165 34.489 30.464 26.984 23.945 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.530 39.169 34.493 30.468 26.988 23.949 21.262 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.536 39.176 34.500 30.475 26.995 23.957 21.270 18.860 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.546 39.187 34.511 30.486 27.007 23.968 21.282 18.873 16.682 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.561 39.203 34.528 30.503 27.024 23.986 21.300 18.893 16.704 14.674 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.583 39.226 34.551 30.527 27.048 24.011 21.326 18.921 16.734 14.708 12.782 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.611 39.257 34.583 30.559 27.080 24.044 21.361 18.958 16.775 14.754 12.836 10.962 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.648 39.298 34.626 30.602 27.124 24.089 21.408 19.008 16.829 14.815 12.908 11.051 9.209 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.695 39.351 34.679 30.656 27.179 24.146 21.468 19.072 16.899 14.893 13.000 11.164 9.346 7.596 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.753 39.416 34.747 30.725 27.249 24.218 21.543 19.153 16.986 14.991 13.115 11.306 9.523 7.757 6.354 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.796 39.465 34.797 30.776 27.301 24.272 21.600 19.214 17.053 15.065 13.202 11.413 9.658 7.908 6.158 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.854 39.532 34.868 30.848 27.375 24.348 21.680 19.298 17.145 15.169 13.322 11.562 9.848 8.138 6.276 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.908 39.596 34.935 30.917 27.445 24.421 21.757 19.381 17.234 15.268 13.438 11.704 10.030 8.372 6.538 18.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.958 39.657 35.000 30.983 27.514 24.492 21.831 19.460 17.321 15.364 13.550 11.840 10.204 8.600 6.844 10.656 14.154 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.005 39.715 35.061 31.047 27.579 24.560 21.903 19.537 17.404 15.457 13.656 11.970 10.369 8.817 7.156 8.755 9.989 12.186 15.352 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.048 39.770 35.121 31.109 27.643 24.626 21.972 19.611 17.485 15.546 13.759 12.093 10.524 9.022 7.456 7.951 8.472 9.433 10.966 13.038 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.088 39.822 35.177 31.168 27.704 24.689 22.039 19.683 17.563 15.633 13.858 12.210 10.670 9.213 7.735 7.537 7.738 8.182 8.944 10.073 11.533 13.144 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.125 39.872 35.232 31.225 27.763 24.751 22.104 19.752 17.638 15.716 13.953 12.322 10.807 9.389 7.990 7.309 7.335 7.515 7.890 8.499 9.360 10.439 11.638 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.159 39.919 35.284 31.279 27.820 24.810 22.167 19.820 17.711 15.797 14.044 12.428 10.935 9.550 8.219 7.184 7.103 7.128 7.285 7.599 8.089 8.759 9.583 10.502 11.436 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.189 39.963 35.333 31.332 27.875 24.868 22.228 19.885 17.782 15.875 14.131 12.529 11.054 9.697 8.421 7.122 6.970 6.897 6.919 7.051 7.310 7.706 8.236 8.881 9.603 10.356 11.094 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.216 40.005 35.381 31.382 27.927 24.923 22.287 19.948 17.851 15.950 14.216 12.625 11.166 9.831 8.598 7.101 6.900 6.760 6.692 6.706 6.815 7.027 7.347 7.771 8.284 8.864 9.481 10.107 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.241 40.044 35.426 31.431 27.978 24.977 22.344 20.009 17.917 16.023 14.297 12.716 11.270 9.952 8.751 7.108 6.871 6.684 6.553 6.487 6.493 6.579 6.750 7.009 7.351 7.766 8.239 8.752 9.288 9.836 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.263 40.081 35.469 31.477 28.027 25.028 22.399 20.068 17.981 16.094 14.375 12.803 11.367 10.062 8.883 7.134 6.871 6.649 6.473 6.349 6.282 6.279 6.344 6.481 6.690 6.968 7.307 7.699 8.132 8.595 9.081 99999.999 99999.999 99999.999 99999.999 99999.999 45.282 40.116 35.510 31.522 28.075 25.078 22.452 20.126 18.044 16.162 14.450 12.886 11.458 10.163 8.997 7.173 6.891 6.643 6.434 6.267 6.147 6.079 6.066 6.112 6.220 6.388 6.615 6.896 7.224 7.593 7.996 8.429 8.889 99999.999 99999.999 99999.999 45.298 40.148 35.549 31.564 28.120 25.127 22.503 20.181 18.104 16.229 14.523 12.965 11.544 10.255 9.096 7.223 6.925 6.658 6.423 6.224 6.065 5.948 5.877 5.855 5.885 5.968 6.103 6.289 6.523 6.801 7.118 7.471 7.857 8.276 99999.999 99999.999 45.312 40.178 35.586 31.605 28.164 25.173 22.553 20.235 18.163 16.293 14.593 13.042 11.627 10.342 9.185 7.280 6.970 6.687 6.433 6.210 6.020 5.866 5.751 5.677 5.647 5.663 5.724 5.832 5.985 6.181 6.418 6.692 7.003 7.349 7.728 8.142 45.323 40.207 35.621 31.644 28.206 25.218 22.601 20.287 18.220 16.355 14.661 13.116 11.706 10.424 9.268 7.342 7.023 6.728 6.459 6.216 6.003 5.820 5.671 5.557 5.480 5.443 5.446 5.490 5.575 5.700 5.865 6.068 6.307 6.581 6.890 7.234 45.310 40.384 35.881 31.950 28.545 25.587 23.002 20.725 18.701 16.886 15.246 13.755 12.396 11.155 10.024 8.057 7.708 7.372 7.050 6.741 6.445 6.162 5.891 5.634 5.390 5.158 4.940 4.736 4.545 4.369 4.207 4.060 3.929 3.812 3.712 3.628 45.105 40.402 35.998 32.124 28.759 25.834 23.282 21.038 19.052 17.280 15.686 14.244 12.933 11.737 10.645 8.732 8.388 8.055 7.733 7.422 7.121 6.830 6.547 6.274 6.009 5.752 5.503 5.261 5.027 4.801 4.581 4.368 4.161 3.962 3.768 3.581 44.748 40.293 36.001 32.193 28.873 25.986 23.466 21.256 19.304 17.570 16.017 14.618 13.351 12.198 11.146 9.304 8.972 8.651 8.340 8.038 7.746 7.463 7.188 6.920 6.660 6.406 6.159 5.918 5.683 5.453 5.228 5.007 4.791 4.579 4.371 4.166 44.268 40.079 35.911 32.176 28.908 26.059 23.574 21.396 19.478 17.778 16.261 14.901 13.673 12.560 11.547 9.778 9.459 9.151 8.853 8.564 8.284 8.013 7.749 7.493 7.243 7.000 6.763 6.531 6.305 6.084 5.866 5.653 5.444 5.238 5.035 4.835 43.687 39.780 35.745 32.089 28.875 26.069 23.619 21.474 19.587 17.919 16.436 15.110 13.919 12.842 11.866 10.166 9.861 9.566 9.281 9.005 8.738 8.479 8.227 7.983 7.746 7.515 7.289 7.069 6.855 6.645 6.439 6.237 6.039 5.844 5.652 5.462 43.023 39.410 35.514 31.941 28.785 26.024 23.611 21.499 19.643 18.005 16.553 15.260 14.101 13.059 12.116 10.482 10.189 9.907 9.634 9.371 9.116 8.869 8.629 8.397 8.172 7.952 7.739 7.531 7.328 7.130 6.935 6.745 6.559 6.375 6.195 6.017 42.287 38.980 35.228 31.743 28.648 25.933 23.558 21.479 19.654 18.046 16.623 15.359 14.231 13.220 12.308 10.735 10.455 10.184 9.923 9.672 9.428 9.193 8.965 8.744 8.530 8.322 8.119 7.922 7.731 7.543 7.360 7.181 7.006 6.834 6.665 6.498 99999.999 38.498 34.894 31.500 28.468 25.802 23.466 21.421 19.627 18.047 16.653 15.417 14.317 13.334 12.451 10.936 10.666 10.407 10.157 9.916 9.684 9.459 9.242 9.031 8.828 8.630 8.438 8.252 8.070 7.893 7.721 7.552 7.387 7.225 7.066 6.910 biotite-Mn KMn3AlSi3O12H2 Ssln ID, Coef: 15 3.000 P-T:All Wt.(g/mol) = 509.160 V(cc/mol) = 152.640 D(g/cc) = 3.336 Ref: H&P2011 5 1.000 12 3.000 14 1.000 8 3.000 7 -10.000 1 50.634 45.212 40.486 36.413 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.634 45.212 40.486 36.413 32.885 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.636 45.214 40.488 36.415 32.887 29.799 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.639 45.217 40.492 36.419 32.890 29.803 27.068 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.644 45.223 40.498 36.425 32.897 29.810 27.075 24.619 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.653 45.233 40.508 36.435 32.907 29.820 27.086 24.631 22.395 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.666 45.247 40.523 36.450 32.923 29.836 27.103 24.649 22.414 20.342 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.684 45.268 40.544 36.472 32.944 29.859 27.126 24.674 22.442 20.374 18.409 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.709 45.296 40.573 36.501 32.974 29.890 27.159 24.709 22.480 20.417 18.460 16.551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.741 45.332 40.611 36.539 33.013 29.930 27.201 24.755 22.531 20.474 18.527 16.634 14.758 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.781 45.378 40.659 36.588 33.064 29.982 27.256 24.814 22.595 20.546 18.613 16.741 14.888 13.090 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.830 45.435 40.719 36.650 33.126 30.047 27.325 24.887 22.676 20.637 18.721 16.875 15.056 13.250 11.739 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.866 45.478 40.763 36.696 33.174 30.096 27.377 24.943 22.737 20.706 18.802 16.975 15.185 13.396 11.584 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.914 45.536 40.826 36.760 33.240 30.165 27.449 25.021 22.822 20.802 18.914 17.115 15.364 13.617 11.716 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.958 45.592 40.885 36.821 33.303 30.231 27.519 25.096 22.904 20.893 19.021 17.248 15.536 13.840 11.974 22.535 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.998 45.644 40.941 36.880 33.364 30.294 27.586 25.168 22.983 20.982 19.125 17.375 15.699 14.056 12.269 15.342 18.363 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.036 45.693 40.995 36.936 33.422 30.355 27.651 25.238 23.059 21.067 19.224 17.495 15.854 14.262 12.566 13.665 14.687 16.556 19.253 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.069 45.739 41.046 36.990 33.478 30.414 27.713 25.305 23.133 21.149 19.319 17.610 15.999 14.455 12.850 12.963 13.354 14.134 15.415 17.157 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.099 45.783 41.095 37.042 33.532 30.471 27.774 25.370 23.204 21.229 19.410 17.719 16.136 14.634 13.115 12.606 12.714 13.038 13.642 14.567 15.774 17.095 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.126 45.823 41.141 37.091 33.584 30.526 27.832 25.433 23.272 21.305 19.497 17.823 16.264 14.800 13.356 12.414 12.368 12.459 12.722 13.191 13.880 14.754 15.723 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.150 45.862 41.185 37.138 33.634 30.578 27.888 25.493 23.338 21.379 19.581 17.921 16.383 14.951 13.572 12.313 12.173 12.128 12.199 12.408 12.773 13.294 13.946 14.675 15.407 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.171 45.897 41.227 37.183 33.682 30.629 27.942 25.552 23.403 21.450 19.661 18.014 16.494 15.089 13.763 12.268 12.065 11.934 11.886 11.936 12.098 12.380 12.779 13.276 13.837 14.418 14.980 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.189 45.931 41.266 37.226 33.727 30.677 27.994 25.608 23.464 21.519 19.739 18.103 16.598 15.214 13.930 12.258 12.013 11.822 11.696 11.643 11.673 11.795 12.011 12.318 12.701 13.140 13.608 14.080 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.204 45.961 41.303 37.267 33.771 30.724 28.044 25.663 23.524 21.585 19.813 18.187 16.694 15.328 14.074 12.272 11.996 11.764 11.583 11.459 11.400 11.411 11.498 11.662 11.898 12.197 12.546 12.927 13.326 13.733 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.217 45.990 41.339 37.306 33.813 30.769 28.093 25.715 23.582 21.649 19.884 18.267 16.784 15.430 14.198 12.303 12.004 11.742 11.522 11.347 11.224 11.158 11.152 11.210 11.331 11.513 11.748 12.027 12.342 12.682 13.041 99999.999 99999.999 99999.999 99999.999 99999.999 51.226 46.016 41.372 37.344 33.854 30.812 28.139 25.766 23.638 21.711 19.953 18.343 16.869 15.524 14.305 12.345 12.029 11.745 11.495 11.284 11.115 10.992 10.919 10.898 10.931 11.018 11.156 11.341 11.568 11.829 12.121 12.439 12.781 99999.999 99999.999 99999.999 51.233 46.040 41.403 37.379 33.892 30.854 28.184 25.815 23.692 21.770 20.019 18.416 16.949 15.610 14.399 12.396 12.067 11.766 11.494 11.255 11.052 10.887 10.763 10.683 10.648 10.661 10.720 10.824 10.970 11.154 11.374 11.625 11.906 12.216 99999.999 99999.999 51.238 46.062 41.433 37.413 33.929 30.894 28.228 25.863 23.744 21.828 20.083 18.486 17.024 15.691 14.482 12.453 12.114 11.799 11.511 11.251 11.021 10.824 10.662 10.537 10.450 10.405 10.400 10.436 10.513 10.627 10.778 10.963 11.180 11.428 11.708 12.018 51.240 46.082 41.460 37.445 33.964 30.932 28.269 25.908 23.794 21.884 20.144 18.554 17.097 15.767 14.560 12.515 12.167 11.843 11.541 11.265 11.015 10.793 10.601 10.441 10.314 10.223 10.167 10.148 10.166 10.220 10.309 10.432 10.588 10.776 10.995 11.246 51.136 46.179 41.645 37.680 34.237 31.237 28.608 26.285 24.214 22.353 20.667 19.131 17.726 16.439 15.260 13.194 12.824 12.467 12.122 11.791 11.472 11.165 10.871 10.589 10.319 10.061 9.816 9.583 9.364 9.157 8.964 8.785 8.620 8.470 8.334 8.213 50.843 46.118 41.689 37.786 34.387 31.423 28.828 26.541 24.509 22.690 21.050 19.562 18.205 16.963 15.825 13.818 13.455 13.103 12.762 12.431 12.111 11.799 11.497 11.204 10.918 10.641 10.372 10.110 9.855 9.607 9.366 9.132 8.904 8.683 8.468 8.259 50.400 45.931 41.622 37.790 34.439 31.516 28.956 26.703 24.707 22.926 21.327 19.882 18.568 17.369 16.272 14.338 13.987 13.647 13.318 12.998 12.688 12.386 12.092 11.806 11.527 11.255 10.990 10.731 10.477 10.229 9.986 9.747 9.514 9.284 9.058 8.836 49.836 45.643 41.464 37.709 34.413 31.532 29.009 26.790 24.828 23.083 21.521 20.114 18.840 17.680 16.622 14.760 14.423 14.097 13.781 13.474 13.176 12.886 12.605 12.331 12.063 11.803 11.548 11.299 11.055 10.817 10.582 10.353 10.127 9.904 9.685 9.469 49.173 45.271 41.230 37.559 34.321 31.485 29.000 26.815 24.886 23.174 21.646 20.275 19.037 17.914 16.891 15.100 14.776 14.463 14.160 13.866 13.581 13.304 13.035 12.773 12.518 12.269 12.027 11.790 11.558 11.331 11.109 10.890 10.676 10.465 10.257 10.051 48.427 44.828 40.933 37.350 34.174 31.386 28.940 26.790 24.893 23.213 21.717 20.378 19.173 18.084 17.095 15.369 15.058 14.757 14.467 14.185 13.912 13.647 13.390 13.140 12.897 12.661 12.430 12.205 11.985 11.770 11.559 11.352 11.150 10.950 10.754 10.561 47.610 44.326 40.581 37.091 33.980 31.241 28.836 26.721 24.857 23.207 21.741 20.432 19.258 18.201 17.243 15.578 15.279 14.990 14.711 14.441 14.180 13.927 13.681 13.442 13.210 12.985 12.765 12.551 12.343 12.138 11.939 11.743 11.552 11.363 11.178 10.996 99999.999 43.773 40.184 36.788 33.745 31.057 28.694 26.615 24.783 23.163 21.726 20.446 19.301 18.272 17.344 15.736 15.448 15.171 14.902 14.643 14.393 14.150 13.915 13.687 13.466 13.251 13.041 12.838 12.639 12.445 12.256 12.071 11.889 11.711 11.536 11.364 anorthite CaAl2Si2O8 P-T:All Wt.(g/mol) = 278.210 V(cc/mol) = 100.790 D(g/cc) = 2.760 Ref: H&P2011 4 1.000 9 2.000 8 2.000 7 -8.000 1 27.622 23.090 19.115 15.654 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.622 23.090 19.115 15.655 12.622 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.625 23.092 19.117 15.657 12.625 9.938 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.629 23.097 19.122 15.661 12.629 9.942 7.531 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.636 23.104 19.129 15.669 12.637 9.950 7.539 5.345 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.648 23.116 19.141 15.681 12.649 9.962 7.551 5.358 3.335 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.665 23.134 19.159 15.699 12.666 9.980 7.570 5.377 3.356 1.460 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.689 23.160 19.185 15.724 12.692 10.006 7.596 5.405 3.386 1.493 -0.324 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.723 23.195 19.220 15.759 12.727 10.042 7.633 5.444 3.427 1.538 -0.272 -2.049 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.767 23.242 19.267 15.806 12.773 10.089 7.681 5.495 3.481 1.598 -0.203 -1.967 -3.714 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.823 23.302 19.327 15.865 12.833 10.149 7.744 5.560 3.551 1.674 -0.115 -1.861 -3.590 -5.237 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.894 23.377 19.403 15.941 12.909 10.226 7.823 5.643 3.640 1.771 -0.004 -1.727 -3.428 -5.100 -6.371 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.947 23.434 19.461 15.998 12.966 10.284 7.883 5.706 3.707 1.845 0.080 -1.625 -3.303 -4.968 -6.590 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.021 23.514 19.542 16.079 13.047 10.366 7.967 5.794 3.801 1.948 0.198 -1.484 -3.128 -4.762 -6.511 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.092 23.592 19.620 16.158 13.126 10.446 8.050 5.881 3.893 2.048 0.311 -1.348 -2.958 -4.550 -6.287 5.631 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.161 23.667 19.697 16.235 13.203 10.524 8.130 5.965 3.982 2.145 0.421 -1.217 -2.795 -4.342 -6.017 -2.405 1.037 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.226 23.740 19.771 16.310 13.278 10.601 8.209 6.047 4.069 2.239 0.527 -1.092 -2.639 -4.142 -5.738 -4.280 -3.076 -0.912 2.253 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.289 23.811 19.844 16.383 13.352 10.675 8.285 6.126 4.154 2.331 0.630 -0.972 -2.492 -3.952 -5.467 -5.081 -4.578 -3.640 -2.130 -0.062 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.350 23.880 19.915 16.454 13.423 10.748 8.360 6.204 4.236 2.420 0.729 -0.857 -2.352 -3.775 -5.212 -5.498 -5.311 -4.884 -4.141 -3.029 -1.573 0.061 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.408 23.946 19.983 16.523 13.493 10.819 8.433 6.280 4.317 2.507 0.825 -0.747 -2.221 -3.610 -4.979 -5.733 -5.718 -5.552 -5.193 -4.601 -3.754 -2.680 -1.469 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.464 24.011 20.050 16.591 13.561 10.888 8.504 6.355 4.395 2.592 0.918 -0.642 -2.097 -3.458 -4.768 -5.865 -5.957 -5.944 -5.801 -5.503 -5.029 -4.371 -3.553 -2.628 -1.674 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.517 24.073 20.115 16.657 13.628 10.956 8.574 6.427 4.472 2.674 1.008 -0.541 -1.981 -3.318 -4.581 -5.934 -6.096 -6.182 -6.174 -6.056 -5.812 -5.432 -4.914 -4.277 -3.554 -2.791 -2.031 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.569 24.134 20.179 16.721 13.693 11.022 8.642 6.498 4.547 2.754 1.095 -0.444 -1.872 -3.190 -4.416 -5.962 -6.174 -6.326 -6.408 -6.408 -6.315 -6.118 -5.813 -5.402 -4.897 -4.322 -3.702 -3.066 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.618 24.193 20.240 16.784 13.757 11.086 8.708 6.567 4.620 2.832 1.180 -0.352 -1.769 -3.073 -4.272 -5.962 -6.210 -6.409 -6.554 -6.635 -6.645 -6.575 -6.419 -6.176 -5.847 -5.443 -4.978 -4.468 -3.931 -3.379 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.665 24.250 20.301 16.845 13.819 11.149 8.773 6.635 4.691 2.908 1.262 -0.263 -1.672 -2.966 -4.147 -5.942 -6.217 -6.451 -6.641 -6.781 -6.863 -6.883 -6.835 -6.714 -6.521 -6.258 -5.932 -5.551 -5.127 -4.670 -4.188 99999.999 99999.999 99999.999 99999.999 99999.999 28.710 24.306 20.359 16.905 13.879 11.211 8.837 6.701 4.761 2.982 1.341 -0.177 -1.580 -2.867 -4.038 -5.908 -6.203 -6.464 -6.688 -6.871 -7.007 -7.092 -7.122 -7.093 -7.003 -6.851 -6.641 -6.375 -6.061 -5.705 -5.314 -4.891 -4.441 99999.999 99999.999 99999.999 28.753 24.359 20.416 16.963 13.939 11.272 8.899 6.766 4.829 3.055 1.419 -0.095 -1.492 -2.775 -3.942 -5.863 -6.174 -6.456 -6.706 -6.921 -7.097 -7.232 -7.320 -7.360 -7.349 -7.284 -7.167 -6.999 -6.783 -6.522 -6.221 -5.884 -5.513 -5.111 99999.999 99999.999 28.794 24.411 20.472 17.020 13.997 11.331 8.960 6.829 4.896 3.126 1.494 -0.015 -1.408 -2.689 -3.855 -5.811 -6.135 -6.432 -6.703 -6.943 -7.150 -7.322 -7.455 -7.548 -7.597 -7.601 -7.559 -7.470 -7.337 -7.161 -6.943 -6.688 -6.397 -6.072 -5.713 -5.322 28.833 24.462 20.526 17.076 14.053 11.389 9.019 6.891 4.961 3.195 1.568 0.063 -1.326 -2.605 -3.773 -5.753 -6.086 -6.397 -6.683 -6.943 -7.174 -7.375 -7.543 -7.677 -7.773 -7.831 -7.849 -7.826 -7.762 -7.657 -7.514 -7.333 -7.116 -6.865 -6.579 -6.261 29.133 24.888 20.997 17.566 14.556 11.904 9.550 7.445 5.543 3.812 2.225 0.761 -0.593 -1.845 -3.003 -5.053 -5.423 -5.781 -6.126 -6.458 -6.779 -7.087 -7.382 -7.666 -7.936 -8.194 -8.439 -8.671 -8.889 -9.094 -9.284 -9.460 -9.621 -9.766 -9.897 -10.012 29.289 25.193 21.359 17.955 14.962 12.324 9.985 7.898 6.021 4.318 2.763 1.334 0.015 -1.205 -2.336 -4.359 -4.729 -5.088 -5.438 -5.778 -6.109 -6.430 -6.743 -7.048 -7.345 -7.634 -7.916 -8.190 -8.457 -8.717 -8.971 -9.217 -9.457 -9.691 -9.918 -10.140 29.332 25.402 21.633 18.263 15.290 12.668 10.345 8.275 6.417 4.739 3.212 1.813 0.525 -0.664 -1.766 -3.741 -4.103 -4.456 -4.800 -5.134 -5.461 -5.779 -6.090 -6.393 -6.690 -6.980 -7.265 -7.543 -7.816 -8.084 -8.347 -8.606 -8.860 -9.110 -9.357 -9.600 29.283 25.531 21.836 18.505 15.556 12.951 10.644 8.590 6.750 5.093 3.589 2.216 0.957 -0.204 -1.279 -3.202 -3.555 -3.899 -4.234 -4.560 -4.878 -5.189 -5.492 -5.788 -6.078 -6.362 -6.641 -6.914 -7.182 -7.445 -7.705 -7.960 -8.211 -8.460 -8.705 -8.947 29.159 25.597 21.981 18.691 15.769 13.184 10.893 8.855 7.032 5.392 3.909 2.560 1.324 0.189 -0.860 -2.734 -3.077 -3.412 -3.737 -4.055 -4.364 -4.665 -4.960 -5.248 -5.530 -5.805 -6.075 -6.340 -6.601 -6.856 -7.108 -7.355 -7.600 -7.840 -8.078 -8.313 28.973 25.608 22.076 18.832 15.938 13.374 11.100 9.078 7.270 5.648 4.183 2.853 1.640 0.527 -0.498 -2.326 -2.660 -2.986 -3.303 -3.611 -3.911 -4.204 -4.490 -4.770 -5.043 -5.310 -5.572 -5.828 -6.080 -6.327 -6.570 -6.809 -7.045 -7.277 -7.507 -7.733 28.735 25.574 22.129 18.932 16.070 13.528 11.272 9.265 7.473 5.866 4.417 3.105 1.911 0.819 -0.185 -1.970 -2.296 -2.613 -2.921 -3.221 -3.514 -3.798 -4.076 -4.348 -4.612 -4.872 -5.125 -5.374 -5.617 -5.856 -6.091 -6.322 -6.550 -6.774 -6.995 -7.213 99999.999 25.501 22.145 18.999 16.169 13.650 11.413 9.422 7.645 6.052 4.619 3.323 2.146 1.072 0.088 -1.658 -1.977 -2.286 -2.587 -2.879 -3.164 -3.441 -3.711 -3.975 -4.232 -4.484 -4.730 -4.971 -5.207 -5.439 -5.666 -5.889 -6.109 -6.326 -6.539 -6.750 anthophyllite Mg7Si8O24H2 P-T:All Wt.(g/mol) = 780.870 V(cc/mol) = 265.400 D(g/cc) = 2.942 Ref: H&P2011 4 7.000 10 8.000 7 -8.000 2 -14.000 1 81.419 72.451 64.512 57.647 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.419 72.451 64.512 57.647 51.713 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.422 72.455 64.515 57.651 51.716 46.549 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.427 72.461 64.522 57.657 51.724 46.556 42.008 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.435 72.472 64.533 57.669 51.736 46.569 42.021 37.967 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.449 72.488 64.551 57.687 51.755 46.589 42.042 37.990 34.327 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.469 72.513 64.577 57.715 51.783 46.618 42.073 38.023 34.363 30.995 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.497 72.548 64.615 57.754 51.823 46.660 42.117 38.070 34.415 31.053 27.881 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.534 72.595 64.666 57.807 51.878 46.717 42.177 38.135 34.486 31.132 27.974 24.908 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.582 72.657 64.732 57.876 51.950 46.792 42.257 38.220 34.578 31.236 28.096 25.058 22.049 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.642 72.734 64.817 57.964 52.041 46.887 42.358 38.328 34.697 31.369 28.252 25.249 22.283 19.374 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.712 72.829 64.921 58.074 52.155 47.007 42.484 38.464 34.845 31.536 28.446 25.488 22.581 19.680 17.129 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.762 72.899 64.999 58.156 52.241 47.097 42.579 38.567 34.957 31.661 28.592 25.667 22.808 19.944 16.988 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.827 72.994 65.105 58.269 52.359 47.221 42.712 38.709 35.113 31.835 28.795 25.915 23.123 20.336 17.282 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.884 73.081 65.205 58.376 52.472 47.340 42.838 38.846 35.262 32.002 28.989 26.152 23.424 20.724 17.748 32.439 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.933 73.162 65.299 58.477 52.580 47.454 42.960 38.977 35.406 32.163 29.175 26.377 23.710 21.098 18.257 22.281 26.476 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.975 73.237 65.388 58.574 52.682 47.563 43.077 39.104 35.544 32.317 29.353 26.592 23.981 21.453 18.764 19.977 21.337 23.892 27.579 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 82.010 73.306 65.471 58.665 52.780 47.667 43.189 39.225 35.678 32.466 29.524 26.796 24.236 21.786 19.246 19.057 19.526 20.544 22.264 24.612 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 82.038 73.369 65.549 58.752 52.873 47.767 43.296 39.341 35.805 32.609 29.687 26.990 24.475 22.097 19.694 18.625 18.697 19.073 19.843 21.060 22.659 24.391 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 82.059 73.426 65.622 58.833 52.962 47.862 43.399 39.453 35.929 32.746 29.843 27.174 24.700 22.384 20.103 18.422 18.279 18.330 18.624 19.205 20.090 21.226 22.477 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 82.073 73.478 65.689 58.910 53.046 47.953 43.497 39.561 36.047 32.878 29.993 27.349 24.910 22.648 20.471 18.344 18.072 17.935 17.961 18.181 18.617 19.270 20.099 21.024 21.938 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 82.082 73.524 65.752 58.983 53.125 48.040 43.592 39.664 36.161 33.005 30.137 27.514 25.107 22.889 20.799 18.342 17.985 17.729 17.591 17.592 17.748 18.072 18.556 19.172 19.869 20.586 21.266 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 82.084 73.565 65.810 59.051 53.201 48.123 43.682 39.763 36.270 33.127 30.274 27.672 25.291 23.110 21.088 18.386 17.973 17.637 17.392 17.250 17.226 17.329 17.563 17.921 18.384 18.919 19.488 20.058 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 82.080 73.601 65.864 59.115 53.273 48.201 43.768 39.858 36.376 33.244 30.406 27.821 25.463 23.311 21.341 18.462 18.008 17.617 17.299 17.061 16.913 16.866 16.923 17.087 17.351 17.701 18.116 18.574 19.055 19.544 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 82.070 73.632 65.913 59.175 53.340 48.276 43.851 39.950 36.477 33.357 30.533 27.964 25.623 23.495 21.562 18.559 18.075 17.645 17.274 16.969 16.735 16.582 16.513 16.533 16.642 16.833 17.098 17.424 17.798 18.206 18.640 99999.999 99999.999 99999.999 99999.999 99999.999 82.054 73.659 65.958 59.230 53.404 48.348 43.930 40.037 36.574 33.466 30.654 28.099 25.775 23.664 21.756 18.670 18.165 17.706 17.297 16.942 16.647 16.417 16.257 16.171 16.160 16.224 16.360 16.561 16.819 17.126 17.475 17.862 18.284 99999.999 99999.999 99999.999 82.033 73.680 65.998 59.282 53.465 48.415 44.005 40.121 36.668 33.570 30.771 28.229 25.918 23.820 21.927 18.790 18.269 17.789 17.351 16.961 16.620 16.334 16.107 15.941 15.839 15.803 15.833 15.925 16.076 16.282 16.537 16.838 17.181 17.568 99999.999 99999.999 82.007 73.697 66.035 59.330 53.521 48.480 44.077 40.201 36.758 33.671 30.883 28.353 26.053 23.967 22.082 18.917 18.384 17.888 17.429 17.011 16.637 16.309 16.030 15.804 15.633 15.519 15.463 15.465 15.524 15.636 15.800 16.013 16.273 16.579 16.931 17.330 81.975 73.710 66.067 59.375 53.575 48.540 44.146 40.278 36.844 33.768 30.991 28.472 26.184 24.106 22.227 19.048 18.507 17.998 17.523 17.085 16.685 16.325 16.007 15.735 15.511 15.336 15.212 15.140 15.120 15.151 15.233 15.364 15.542 15.767 16.039 16.357 81.400 73.616 66.196 59.637 53.934 48.982 44.666 40.880 37.536 34.556 31.883 29.471 27.285 25.300 23.496 20.366 19.808 19.272 18.755 18.259 17.781 17.323 16.883 16.461 16.058 15.673 15.307 14.959 14.631 14.321 14.032 13.763 13.515 13.288 13.083 12.900 80.427 73.185 66.022 59.619 54.028 49.167 44.934 41.229 37.967 35.076 32.495 30.177 28.085 26.192 24.473 21.486 20.951 20.435 19.937 19.455 18.989 18.538 18.102 17.679 17.269 16.872 16.487 16.113 15.751 15.399 15.058 14.727 14.406 14.095 13.793 13.501 79.135 72.482 65.605 59.377 53.911 49.149 45.002 41.379 38.197 35.387 32.890 30.658 28.654 26.846 25.210 22.376 21.870 21.382 20.910 20.454 20.013 19.587 19.173 18.772 18.383 18.005 17.637 17.279 16.930 16.590 16.258 15.933 15.615 15.304 14.999 14.700 77.586 71.557 64.988 58.950 53.619 48.965 44.909 41.367 38.264 35.532 33.113 30.961 29.037 27.309 25.751 23.066 22.588 22.128 21.684 21.256 20.842 20.442 20.055 19.680 19.317 18.964 18.621 18.287 17.961 17.644 17.334 17.031 16.734 16.443 16.157 15.876 75.824 70.449 64.204 58.369 53.183 48.642 44.680 41.223 38.197 35.540 33.196 31.119 29.270 27.616 26.131 23.588 23.137 22.704 22.287 21.885 21.498 21.124 20.763 20.414 20.075 19.748 19.430 19.121 18.821 18.529 18.243 17.965 17.692 17.425 17.163 16.906 73.884 69.185 63.279 57.658 52.624 48.201 44.338 40.966 38.018 35.435 33.163 31.156 29.377 27.793 26.378 23.968 23.543 23.135 22.744 22.367 22.005 21.655 21.319 20.994 20.680 20.377 20.083 19.799 19.522 19.254 18.992 18.738 18.489 18.246 18.007 17.774 71.791 67.789 62.234 56.833 51.958 47.659 43.897 40.613 37.744 35.234 33.031 31.092 29.380 27.862 26.512 24.228 23.827 23.444 23.076 22.723 22.384 22.058 21.745 21.443 21.152 20.872 20.600 20.338 20.084 19.838 19.599 19.366 19.140 18.919 18.703 18.491 99999.999 66.279 61.083 55.911 51.201 47.029 43.371 40.177 37.387 34.950 32.815 30.942 29.294 27.839 26.550 24.385 24.008 23.647 23.302 22.971 22.655 22.351 22.059 21.779 21.509 21.249 20.999 20.758 20.525 20.299 20.081 19.869 19.663 19.462 19.266 19.075 anthophyllite-Fe Fe7Si8O24H2 P-T:All Wt.(g/mol) = 1001.620 V(cc/mol) = 278.700 D(g/cc) = 3.594 Ref: H&P2011 4 7.000 11 8.000 7 -8.000 2 -14.000 1 50.100 43.940 38.336 33.430 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.100 43.940 38.336 33.430 29.154 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.103 43.944 38.340 33.434 29.159 25.408 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.109 43.951 38.347 33.442 29.166 25.416 22.088 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.119 43.962 38.360 33.455 29.179 25.429 22.102 19.108 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.134 43.981 38.380 33.475 29.200 25.451 22.124 19.132 16.396 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.157 44.009 38.409 33.505 29.231 25.482 22.158 19.167 16.434 13.882 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.189 44.048 38.451 33.548 29.275 25.528 22.205 19.217 16.488 13.942 11.493 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.232 44.102 38.508 33.607 29.335 25.589 22.269 19.285 16.562 14.023 11.588 9.168 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.288 44.171 38.582 33.683 29.413 25.671 22.354 19.375 16.658 14.131 11.712 9.318 6.882 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.357 44.259 38.677 33.781 29.514 25.774 22.462 19.490 16.783 14.268 11.871 9.511 7.117 4.694 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.439 44.368 38.795 33.904 29.640 25.904 22.599 19.635 16.938 14.440 12.069 9.752 7.417 5.014 2.790 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.499 44.448 38.882 33.995 29.734 26.002 22.701 19.743 17.056 14.570 12.219 9.932 7.643 5.282 2.732 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.577 44.557 39.003 34.122 29.865 26.138 22.844 19.895 17.219 14.751 12.426 10.182 7.958 5.674 3.067 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.648 44.659 39.117 34.242 29.991 26.269 22.981 20.041 17.377 14.924 12.625 10.421 8.258 6.060 3.541 16.197 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.710 44.755 39.226 34.358 30.111 26.395 23.113 20.182 17.528 15.091 12.815 10.649 8.544 6.431 4.047 7.688 11.220 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.766 44.844 39.329 34.467 30.226 26.515 23.240 20.317 17.675 15.253 12.999 10.866 8.814 6.782 4.544 5.783 6.938 9.081 12.106 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.813 44.928 39.426 34.572 30.336 26.631 23.362 20.448 17.816 15.408 13.174 11.073 9.069 7.112 5.016 5.053 5.456 6.315 7.748 9.669 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.854 45.005 39.517 34.672 30.442 26.742 23.480 20.573 17.952 15.557 13.343 11.271 9.309 7.419 5.455 4.734 4.803 5.124 5.768 6.774 8.074 9.439 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.888 45.076 39.604 34.766 30.542 26.848 23.593 20.694 18.083 15.701 13.504 11.458 9.535 7.704 5.855 4.608 4.498 4.546 4.793 5.274 5.997 6.912 7.893 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.915 45.141 39.685 34.856 30.639 26.950 23.702 20.811 18.209 15.840 13.660 11.637 9.747 7.967 6.217 4.585 4.368 4.259 4.283 4.465 4.821 5.347 6.007 6.725 7.410 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.935 45.201 39.762 34.942 30.731 27.048 23.806 20.923 18.331 15.973 13.809 11.807 9.946 8.209 6.540 4.625 4.338 4.131 4.019 4.019 4.144 4.402 4.786 5.268 5.804 6.338 6.824 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.950 45.256 39.833 35.023 30.818 27.142 23.907 21.031 18.448 16.102 13.952 11.968 10.133 8.431 6.827 4.703 4.369 4.097 3.896 3.778 3.754 3.832 4.013 4.291 4.647 5.052 5.473 5.883 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.958 45.305 39.900 35.099 30.902 27.232 24.003 21.136 18.562 16.227 14.090 12.123 10.308 8.634 7.080 4.805 4.439 4.121 3.861 3.664 3.539 3.493 3.531 3.652 3.850 4.113 4.422 4.758 5.104 5.450 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.960 45.350 39.962 35.172 30.981 27.318 24.096 21.236 18.671 16.346 14.222 12.270 10.473 8.821 7.303 4.924 4.534 4.185 3.882 3.630 3.435 3.302 3.237 3.242 3.315 3.453 3.646 3.884 4.155 4.449 4.761 99999.999 99999.999 99999.999 99999.999 99999.999 50.957 45.389 40.020 35.240 31.057 27.400 24.185 21.332 18.776 16.462 14.349 12.410 10.628 8.994 7.500 5.053 4.646 4.274 3.940 3.649 3.404 3.209 3.069 2.988 2.965 3.001 3.092 3.234 3.418 3.638 3.890 4.169 4.476 99999.999 99999.999 99999.999 50.948 45.424 40.074 35.304 31.129 27.479 24.270 21.425 18.878 16.573 14.472 12.545 10.776 9.155 7.676 5.190 4.770 4.381 4.025 3.705 3.423 3.183 2.988 2.842 2.746 2.702 2.708 2.764 2.865 3.008 3.189 3.405 3.655 3.939 99999.999 99999.999 50.933 45.454 40.124 35.365 31.197 27.554 24.352 21.515 18.976 16.681 14.590 12.674 10.916 9.306 7.836 5.330 4.902 4.501 4.128 3.786 3.477 3.203 2.968 2.773 2.621 2.514 2.452 2.435 2.463 2.533 2.643 2.792 2.979 3.202 3.463 3.764 50.913 45.480 40.169 35.422 31.262 27.625 24.430 21.600 19.070 16.785 14.704 12.799 11.052 9.450 7.987 5.473 5.039 4.628 4.243 3.885 3.555 3.256 2.990 2.758 2.563 2.407 2.291 2.215 2.180 2.186 2.231 2.316 2.438 2.599 2.798 3.036 50.451 45.512 40.423 35.804 31.734 28.171 25.047 22.290 19.840 17.643 15.658 13.851 12.200 10.688 9.302 6.862 6.422 5.996 5.584 5.186 4.801 4.429 4.071 3.725 3.392 3.072 2.765 2.472 2.192 1.928 1.678 1.443 1.224 1.022 0.837 0.669 49.583 45.200 40.368 35.900 31.936 28.458 25.408 22.725 20.350 18.233 16.331 14.612 13.049 11.623 10.319 8.022 7.606 7.202 6.811 6.431 6.062 5.703 5.354 5.014 4.682 4.359 4.044 3.736 3.436 3.143 2.857 2.578 2.305 2.039 1.780 1.527 48.391 44.611 40.064 35.768 31.923 28.537 25.568 22.959 20.657 18.614 16.789 15.149 13.667 12.320 11.094 8.944 8.556 8.180 7.815 7.462 7.118 6.784 6.459 6.142 5.833 5.531 5.235 4.946 4.663 4.385 4.112 3.843 3.579 3.318 3.062 2.808 46.937 43.796 39.557 35.447 31.732 28.448 25.563 23.030 20.800 18.828 17.076 15.509 14.101 12.828 11.674 9.665 9.304 8.955 8.617 8.290 7.973 7.665 7.365 7.074 6.790 6.513 6.242 5.978 5.718 5.464 5.213 4.967 4.725 4.486 4.249 4.016 45.267 42.793 38.880 34.969 31.394 28.217 25.421 22.966 20.808 18.906 17.222 15.724 14.385 13.181 12.096 10.219 9.883 9.560 9.248 8.946 8.653 8.370 8.096 7.829 7.570 7.317 7.071 6.830 6.595 6.365 6.139 5.917 5.698 5.483 5.270 5.060 43.414 41.632 38.059 34.359 30.931 27.867 25.164 22.789 20.704 18.870 17.252 15.820 14.545 13.407 12.385 10.632 10.321 10.022 9.733 9.455 9.186 8.926 8.675 8.431 8.195 7.966 7.743 7.525 7.313 7.105 6.902 6.703 6.507 6.315 6.125 5.938 41.406 40.336 37.115 33.633 30.360 27.414 24.807 22.515 20.503 18.737 17.184 15.814 14.602 13.524 12.563 10.927 10.639 10.362 10.096 9.840 9.593 9.355 9.126 8.904 8.689 8.481 8.279 8.083 7.892 7.705 7.523 7.345 7.171 6.999 6.831 6.664 99999.999 38.923 36.064 32.808 29.695 26.872 24.364 22.156 20.219 18.521 17.031 15.722 14.569 13.550 12.646 11.121 10.854 10.599 10.354 10.118 9.892 9.675 9.466 9.264 9.069 8.881 8.699 8.522 8.351 8.184 8.021 7.863 7.707 7.555 7.406 7.259 antigorite Mg48Si34O147H62 Skip P-T:All Wt.(g/mol) = 4536.300 V(cc/mol) =1754.800 D(g/cc) = 2.585 Ref: H&P2011 4 48.000 10 34.000 7 11.000 2 -96.000 1 545.585 489.268 437.303 390.293 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 545.585 489.269 437.303 390.293 347.763 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 545.602 489.288 437.323 390.313 347.784 309.076 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 545.634 489.323 437.359 390.350 347.822 309.115 273.587 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 545.688 489.384 437.422 390.413 347.886 309.181 273.658 240.750 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 545.773 489.480 437.520 390.514 347.988 309.287 273.769 240.870 210.102 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 545.899 489.622 437.668 390.663 348.141 309.445 273.935 241.049 210.298 181.188 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 546.077 489.824 437.876 390.875 348.358 309.669 274.171 241.303 210.577 181.504 153.527 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 546.316 490.097 438.160 391.164 348.653 309.974 274.493 241.649 210.957 181.934 154.039 126.712 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 546.626 490.454 438.532 391.544 349.041 310.376 274.917 242.105 211.457 182.500 154.712 127.550 100.666 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 547.013 490.906 439.005 392.028 349.537 310.891 275.460 242.688 212.097 183.224 155.572 128.624 101.986 76.019 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 547.483 491.466 439.594 392.633 350.157 311.535 276.140 243.420 212.899 184.131 156.647 129.969 103.683 77.644 54.722 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 547.825 491.881 440.035 393.086 350.624 312.020 276.653 243.971 213.504 184.813 157.455 130.979 104.979 79.125 53.136 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 548.282 492.448 440.642 393.714 351.271 312.694 277.366 244.739 214.346 185.762 158.575 132.377 106.788 81.369 54.478 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 548.700 492.983 441.219 394.314 351.892 313.342 278.052 245.478 215.156 186.674 159.648 133.711 108.519 83.624 57.111 150.803 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 549.080 493.485 441.767 394.887 352.487 313.964 278.712 246.190 215.936 187.551 160.675 134.980 110.164 85.811 60.110 77.456 105.501 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 549.423 493.957 442.288 395.434 353.057 314.562 279.347 246.875 216.687 188.394 161.659 136.187 111.718 87.892 63.135 60.277 67.959 84.288 108.967 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 549.731 494.399 442.781 395.957 353.603 315.136 279.958 247.535 217.411 189.206 162.601 137.333 113.180 89.842 66.031 53.052 54.291 59.529 69.880 84.903 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 550.004 494.812 443.249 396.455 354.127 315.687 280.546 248.171 218.109 189.987 163.503 138.420 114.548 91.652 68.720 49.364 47.710 48.289 51.744 58.490 68.105 78.848 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 550.243 495.196 443.692 396.930 354.627 316.216 281.111 248.783 218.781 190.738 164.366 139.449 115.826 93.317 71.165 47.359 44.127 42.322 42.305 44.411 48.768 55.029 62.233 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 550.451 495.554 444.110 397.382 355.107 316.725 281.655 249.373 219.429 191.462 165.193 140.423 117.016 94.838 73.350 46.285 42.089 38.892 36.910 36.368 37.432 40.111 44.139 48.946 53.777 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 550.627 495.885 444.505 397.812 355.565 317.212 282.178 249.941 220.054 192.159 165.985 141.345 118.123 96.219 75.276 45.778 40.946 36.863 33.665 31.499 30.501 30.748 32.204 34.675 37.804 41.146 44.291 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 550.773 496.191 444.877 398.221 356.003 317.679 282.681 250.488 220.657 192.830 166.743 142.218 119.151 97.469 76.953 45.636 40.364 35.682 31.678 28.455 26.110 24.722 24.323 24.867 26.213 28.133 30.359 32.641 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 550.889 496.472 445.226 398.610 356.421 318.128 283.165 251.016 221.238 193.476 167.470 143.046 120.106 98.597 78.398 45.741 40.152 35.046 30.484 26.536 23.273 20.760 19.044 18.133 17.983 18.497 19.527 20.908 22.487 24.157 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 550.976 496.729 445.555 398.979 356.821 318.557 283.629 251.523 221.798 194.100 168.168 143.832 120.996 99.617 79.638 46.016 40.194 34.779 29.815 25.350 21.438 18.129 15.467 13.477 12.158 11.476 11.362 11.722 12.454 13.465 14.689 99999.999 99999.999 99999.999 99999.999 99999.999 551.036 496.963 445.862 399.328 357.201 318.969 284.076 252.012 222.338 194.700 168.838 144.579 121.828 100.543 80.700 46.412 40.414 34.768 29.506 24.664 20.278 16.390 13.035 10.242 8.027 6.383 5.288 4.693 4.540 4.766 5.314 6.148 7.249 99999.999 99999.999 99999.999 551.068 497.174 446.149 399.658 357.564 319.363 284.504 252.482 222.859 195.279 169.482 145.293 122.611 101.391 81.622 46.895 40.762 34.941 29.454 24.327 19.589 15.269 11.397 8.000 5.096 2.696 0.795 -0.625 -1.593 -2.145 -2.321 -2.153 -1.662 -0.857 99999.999 99999.999 551.074 497.363 446.416 399.970 357.910 319.739 284.916 252.935 223.361 195.838 170.103 145.977 123.353 102.180 82.441 47.439 41.203 35.246 29.587 24.243 19.236 14.588 10.323 6.465 3.031 0.035 -2.515 -4.621 -6.296 -7.558 -8.427 -8.928 -9.078 -8.888 -8.363 -7.497 551.055 497.530 446.664 400.264 358.238 320.100 285.311 253.371 223.845 196.378 170.702 146.636 124.065 102.929 83.203 48.029 41.711 35.650 29.856 24.344 19.129 14.228 9.661 5.445 1.597 -1.867 -4.936 -7.606 -9.877 -11.756 -13.252 -14.378 -15.146 -15.567 -15.647 -15.386 549.585 498.140 448.194 402.328 360.688 322.889 288.448 256.895 227.815 200.851 175.721 152.208 130.157 109.456 90.015 54.612 48.051 41.652 35.414 29.334 23.408 17.636 12.015 6.546 1.229 -3.937 -8.948 -13.804 -18.503 -23.041 -27.416 -31.624 -35.664 -39.533 -43.228 -46.748 546.164 497.119 448.270 403.050 361.866 324.444 290.357 259.170 230.488 203.962 179.304 156.282 134.718 114.477 95.446 60.637 54.146 47.799 41.591 35.516 29.570 23.748 18.045 12.457 6.981 1.613 -3.650 -8.811 -13.874 -18.839 -23.710 -28.488 -33.175 -37.772 -42.282 -46.706 541.196 494.801 447.189 402.705 362.036 325.027 291.307 260.477 232.164 206.032 181.794 159.211 138.093 118.288 99.674 65.603 59.242 53.018 46.926 40.961 35.117 29.388 23.769 18.257 12.845 7.530 2.306 -2.829 -7.881 -12.852 -17.747 -22.569 -27.321 -32.007 -36.629 -41.191 534.981 491.430 445.167 401.492 361.390 324.824 291.486 261.012 233.050 207.282 183.425 161.240 140.528 121.129 102.911 69.584 63.363 57.276 51.318 45.484 39.768 34.164 28.668 23.275 17.979 12.776 7.661 2.630 -2.321 -7.197 -12.001 -16.737 -21.410 -26.022 -30.577 -35.078 527.745 487.194 442.365 399.561 360.067 323.972 291.031 260.915 233.296 207.870 184.365 162.544 142.205 123.181 105.334 72.719 66.635 60.684 54.860 49.158 43.572 38.097 32.728 27.461 22.290 17.211 12.220 7.311 2.480 -2.276 -6.962 -11.581 -16.137 -20.635 -25.076 -29.465 519.659 482.236 438.910 397.024 358.175 322.576 290.046 260.294 233.013 207.915 184.739 163.255 143.260 124.584 107.082 75.139 69.186 63.363 57.667 52.091 46.630 41.280 36.035 30.890 25.842 20.884 16.013 11.225 6.515 1.879 -2.687 -7.186 -11.622 -16.000 -20.321 -24.589 510.854 476.669 434.901 393.971 355.797 320.716 288.611 259.228 232.284 207.506 184.644 163.473 143.798 125.444 108.265 76.952 71.121 65.420 59.844 54.388 49.045 43.812 38.684 33.655 28.721 23.879 19.122 14.448 9.851 5.329 0.877 -3.509 -7.832 -12.095 -16.302 -20.456 99999.999 470.585 430.415 390.473 353.001 318.456 286.788 257.781 231.175 206.712 184.152 163.279 143.901 125.847 108.969 78.247 72.531 66.945 61.481 56.137 50.905 45.782 40.763 35.843 31.017 26.281 21.630 17.062 12.571 8.154 3.806 -0.475 -4.693 -8.852 -12.954 -17.004 apatite-OH Ca5(PO4)3(OH) P-T:All Wt.(g/mol) = 502.320 V(cc/mol) = 159.600 D(g/cc) = 3.147 Ref: RH95 4 -4.000 1 5.000 9 3.000 27 1.000 2 -10.027 -12.011 -14.109 -16.217 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.027 -12.011 -14.109 -16.217 -18.317 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.021 -12.006 -14.104 -16.212 -18.313 -20.417 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.010 -11.996 -14.096 -16.204 -18.305 -20.408 -22.534 99999.999 99999.999 99999.999 99999.999 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-26.869 -29.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.856 -11.862 -13.971 -16.085 -18.188 -20.290 -22.411 -24.575 -26.810 -29.161 -31.708 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.771 -11.787 -13.902 -16.018 -18.122 -20.224 -22.342 -24.501 -26.728 -29.067 -31.592 -34.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.656 -11.686 -13.809 -15.930 -18.035 -20.136 -22.251 -24.404 -26.620 -28.943 -31.441 -34.220 -37.435 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.507 -11.556 -13.688 -15.814 -17.922 -20.021 -22.132 -24.277 -26.481 -28.783 -31.247 -33.967 -37.082 -40.838 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.317 -11.388 -13.533 -15.666 -17.776 -19.875 -21.981 -24.115 -26.304 -28.582 -31.004 -33.653 -36.650 -40.214 -44.948 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.171 -11.260 -13.414 -15.552 -17.665 -19.762 -21.864 -23.992 -26.169 -28.429 -30.821 -33.419 -36.330 -39.753 -44.320 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.963 -11.076 -13.244 -15.390 -17.505 -19.602 -21.699 -23.817 -25.979 -28.214 -30.565 -33.095 -35.893 -39.128 -43.375 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.757 -10.895 -13.076 -15.229 -17.348 -19.444 -21.536 -23.645 -25.792 -28.004 -30.319 -32.786 -35.481 -38.546 -42.471 -42.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.554 -10.715 -12.909 -15.070 -17.192 -19.288 -21.376 -23.476 -25.609 -27.800 -30.080 -32.491 -35.094 -38.004 -41.631 -43.815 -44.195 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.354 -10.538 -12.744 -14.912 -17.038 -19.134 -21.217 -23.309 -25.430 -27.601 -29.849 -32.209 -34.728 -37.500 -40.858 -43.842 -44.605 -45.334 -46.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.156 -10.362 -12.581 -14.756 -16.886 -18.981 -21.061 -23.146 -25.254 -27.406 -29.625 -31.939 -34.383 -37.033 -40.152 -43.580 -44.477 -45.340 -46.240 -47.431 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.960 -10.188 -12.419 -14.602 -16.735 -18.830 -20.907 -22.984 -25.081 -27.216 -29.408 -31.680 -34.058 -36.600 -39.510 -43.241 -44.180 -45.108 -46.038 -47.029 -48.225 -49.840 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.766 -10.015 -12.259 -14.449 -16.585 -18.681 -20.755 -22.825 -24.911 -27.030 -29.198 -31.431 -33.751 -36.200 -38.929 -42.879 -43.830 -44.779 -45.732 -46.705 -47.744 -48.935 -50.391 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.575 -9.845 -12.100 -14.297 -16.437 -18.534 -20.604 -22.668 -24.744 -26.848 -28.993 -31.192 -33.461 -35.829 -38.405 -42.516 -43.464 -44.416 -45.374 -46.344 -47.344 -48.406 -49.582 -50.933 -52.509 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.386 -9.675 -11.943 -14.147 -16.291 -18.387 -20.456 -22.514 -24.580 -26.669 -28.794 -30.963 -33.187 -35.486 -37.936 -42.158 -43.097 -44.043 -44.996 -45.961 -46.943 -47.956 -49.024 -50.177 -51.449 -52.865 -54.429 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.199 -9.508 -11.786 -13.998 -16.145 -18.243 -20.309 -22.361 -24.418 -26.494 -28.599 -30.742 -32.928 -35.169 -37.515 -41.809 -42.737 -43.672 -44.616 -45.571 -46.539 -47.526 -48.543 -49.606 -50.731 -51.936 -53.232 -54.619 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.013 -9.342 -11.632 -13.850 -16.001 -18.100 -20.163 -22.210 -24.258 -26.322 -28.410 -30.529 -32.681 -34.875 -37.139 -41.470 -42.385 -43.309 -44.241 -45.183 -46.137 -47.105 -48.092 -49.106 -50.155 -51.249 -52.395 -53.597 -54.850 -56.142 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.830 -9.177 -11.478 -13.704 -15.858 -17.958 -20.019 -22.061 -24.101 -26.153 -28.225 -30.323 -32.447 -34.601 -36.802 -41.141 -42.044 -42.954 -43.874 -44.802 -45.741 -46.692 -47.658 -48.640 -49.645 -50.675 -51.735 -52.828 -53.952 -55.101 -56.263 99999.999 99999.999 99999.999 99999.999 99999.999 -6.649 -9.014 -11.326 -13.558 -15.717 -17.817 -19.877 -21.914 -23.947 -25.987 -28.045 -30.123 -32.223 -34.345 -36.498 -40.822 -41.712 -42.610 -43.516 -44.431 -45.355 -46.290 -47.237 -48.196 -49.170 -50.160 -51.169 -52.195 -53.239 -54.297 -55.360 -56.421 -57.464 99999.999 99999.999 99999.999 -6.469 -8.852 -11.175 -13.414 -15.576 -17.678 -19.736 -21.769 -23.794 -25.824 -27.868 -29.929 -32.008 -34.104 -36.221 -40.513 -41.390 -42.275 -43.168 -44.069 -44.980 -45.899 -46.829 -47.769 -48.720 -49.682 -50.655 -51.638 -52.631 -53.630 -54.630 -55.623 -56.602 -57.554 99999.999 99999.999 -6.292 -8.691 -11.025 -13.271 -15.437 -17.540 -19.597 -21.626 -23.643 -25.663 -27.694 -29.740 -31.800 -33.875 -35.965 -40.212 -41.078 -41.951 -42.831 -43.718 -44.615 -45.520 -46.434 -47.356 -48.288 -49.227 -50.174 -51.128 -52.086 -53.046 -54.003 -54.953 -55.887 -56.799 -57.679 -58.519 -6.116 -8.532 -10.876 -13.129 -15.299 -17.403 -19.459 -21.484 -23.495 -25.505 -27.524 -29.555 -31.598 -33.654 -35.722 -39.920 -40.775 -41.635 -42.503 -43.378 -44.261 -45.151 -46.050 -46.957 -47.871 -48.792 -49.719 -50.650 -51.583 -52.515 -53.443 -54.362 -55.267 -56.151 -57.008 -57.830 -4.444 -7.005 -9.445 -11.762 -13.972 -16.093 -18.143 -20.140 -22.100 -24.035 -25.957 -27.871 -29.779 -31.682 -33.581 -37.381 -38.145 -38.911 -39.679 -40.451 -41.226 -42.004 -42.787 -43.573 -44.363 -45.157 -45.954 -46.754 -47.555 -48.358 -49.161 -49.963 -50.762 -51.558 -52.347 -53.129 -2.908 -5.581 -8.102 -10.478 -12.728 -14.871 -16.925 -18.909 -20.837 -22.723 -24.578 -26.409 -28.222 -30.018 -31.799 -35.327 -36.029 -36.731 -37.433 -38.136 -38.839 -39.544 -40.250 -40.957 -41.667 -42.378 -43.091 -43.806 -44.524 -45.243 -45.964 -46.687 -47.410 -48.135 -48.860 -49.585 -1.480 -4.237 -6.830 -9.260 -11.549 -13.716 -15.782 -17.762 -19.672 -21.525 -23.333 -25.105 -26.847 -28.563 -30.256 -33.583 -34.241 -34.898 -35.552 -36.206 -36.859 -37.511 -38.163 -38.815 -39.467 -40.119 -40.773 -41.427 -42.083 -42.740 -43.398 -44.057 -44.718 -45.381 -46.045 -46.710 -0.138 -2.960 -5.615 -8.096 -10.422 -12.616 -14.697 -16.680 -18.581 -20.413 -22.188 -23.917 -25.606 -27.261 -28.886 -32.059 -32.684 -33.305 -33.924 -34.541 -35.155 -35.768 -36.380 -36.991 -37.600 -38.210 -38.819 -39.428 -40.037 -40.646 -41.257 -41.868 -42.480 -43.093 -43.707 -44.323 1.135 -1.737 -4.448 -6.977 -9.341 -11.562 -13.659 -15.650 -17.549 -19.369 -21.122 -22.819 -24.467 -26.075 -27.647 -30.700 -31.297 -31.892 -32.483 -33.071 -33.656 -34.238 -34.819 -35.398 -35.975 -36.550 -37.125 -37.699 -38.273 -38.846 -39.419 -39.992 -40.566 -41.141 -41.716 -42.292 2.353 -0.558 -3.321 -5.895 -8.296 -10.545 -12.662 -14.664 -16.565 -18.379 -20.118 -21.792 -23.411 -24.982 -26.512 -29.467 -30.044 -30.616 -31.185 -31.750 -32.312 -32.870 -33.426 -33.980 -34.531 -35.081 -35.628 -36.175 -36.721 -37.265 -37.809 -38.353 -38.897 -39.441 -39.985 -40.530 3.525 0.586 -2.228 -4.846 -7.283 -9.560 -11.698 -13.713 -15.621 -17.434 -19.165 -20.823 -22.420 -23.963 -25.459 -28.337 -28.896 -29.451 -30.002 -30.548 -31.091 -31.631 -32.167 -32.700 -33.231 -33.759 -34.286 -34.810 -35.333 -35.856 -36.377 -36.897 -37.417 -37.937 -38.457 -38.977 99999.999 1.699 -1.163 -3.825 -6.297 -8.602 -10.762 -12.793 -14.710 -16.525 -18.252 -19.901 -21.482 -23.004 -24.475 -27.290 -27.835 -28.376 -28.912 -29.443 -29.971 -30.494 -31.015 -31.531 -32.046 -32.557 -33.066 -33.573 -34.079 -34.583 -35.085 -35.587 -36.088 -36.589 -37.090 -37.590 apatite-F Ca5(PO4)3F P-T:All Wt.(g/mol) = 504.310 V(cc/mol) = 157.560 D(g/cc) = 3.201 Ref: RH95 4 -3.000 1 5.000 9 3.000 27 1.000 23 -30.341 -30.937 -31.924 -33.125 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.341 -30.937 -31.924 -33.125 -34.479 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-5.316 -8.023 -10.597 -13.065 -15.454 -17.789 -20.094 -22.388 -24.683 -26.990 -29.314 -31.664 -34.073 -38.660 -39.622 -40.591 -41.567 -42.552 -43.548 -44.556 -45.584 -46.636 -47.722 -48.853 -50.035 -51.272 -52.559 -53.884 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.718 -2.294 -5.163 -7.877 -10.455 -12.924 -15.311 -17.641 -19.938 -22.220 -24.499 -26.785 -29.080 -31.391 -33.736 -38.332 -39.281 -40.237 -41.200 -42.172 -43.153 -44.145 -45.150 -46.171 -47.213 -48.279 -49.376 -50.504 -51.661 -52.843 -54.038 99999.999 99999.999 99999.999 99999.999 99999.999 0.898 -2.132 -5.012 -7.733 -10.315 -12.785 -15.170 -17.495 -19.784 -22.054 -24.319 -26.586 -28.857 -31.136 -33.433 -38.013 -38.950 -39.893 -40.843 -41.801 -42.767 -43.743 -44.729 -45.727 -46.739 -47.765 -48.809 -49.871 -50.949 -52.039 -53.136 -54.227 -55.302 99999.999 99999.999 99999.999 1.077 -1.971 -4.862 -7.590 -10.175 -12.646 -15.030 -17.350 -19.632 -21.892 -24.143 -26.392 -28.643 -30.896 -33.157 -37.704 -38.629 -39.559 -40.496 -41.440 -42.392 -43.353 -44.322 -45.300 -46.289 -47.287 -48.296 -49.314 -50.341 -51.373 -52.405 -53.430 -54.440 -55.423 99999.999 99999.999 1.253 -1.812 -4.713 -7.448 -10.037 -12.509 -14.891 -17.208 -19.482 -21.732 -23.971 -26.204 -28.436 -30.667 -32.901 -37.404 -38.317 -39.235 -40.159 -41.090 -42.028 -42.973 -43.927 -44.888 -45.857 -46.833 -47.816 -48.805 -49.797 -50.790 -51.779 -52.760 -53.726 -54.668 -55.578 -56.446 1.428 -1.654 -4.566 -7.307 -9.900 -12.373 -14.754 -17.066 -19.334 -21.575 -23.801 -26.020 -28.235 -30.446 -32.659 -37.113 -38.014 -38.920 -39.832 -40.750 -41.674 -42.606 -43.544 -44.489 -45.441 -46.399 -47.361 -48.327 -49.294 -50.259 -51.219 -52.170 -53.106 -54.020 -54.907 -55.758 3.086 -0.139 -3.146 -5.950 -8.583 -11.072 -13.447 -15.731 -17.947 -20.112 -22.241 -24.342 -26.421 -28.480 -30.523 -34.580 -35.390 -36.201 -37.013 -37.828 -38.644 -39.463 -40.285 -41.110 -41.937 -42.768 -43.600 -44.435 -45.271 -46.107 -46.942 -47.776 -48.606 -49.431 -50.250 -51.061 4.609 1.273 -1.814 -4.677 -7.348 -9.859 -12.238 -14.508 -16.692 -18.807 -20.868 -22.887 -24.870 -26.823 -28.747 -32.530 -33.279 -34.026 -34.772 -35.518 -36.263 -37.008 -37.753 -38.499 -39.246 -39.994 -40.742 -41.492 -42.244 -42.996 -43.749 -44.503 -45.258 -46.013 -46.767 -47.521 6.023 2.605 -0.553 -3.469 -6.178 -8.714 -11.102 -13.369 -15.534 -17.616 -19.630 -21.589 -23.502 -25.374 -27.210 -30.792 -31.497 -32.198 -32.897 -33.593 -34.287 -34.980 -35.671 -36.361 -37.051 -37.740 -38.429 -39.118 -39.807 -40.497 -41.187 -41.878 -42.570 -43.263 -43.956 -44.651 7.352 3.870 0.651 -2.315 -5.062 -7.623 -10.026 -12.295 -14.451 -16.511 -18.493 -20.408 -22.267 -24.078 -25.846 -29.274 -29.944 -30.611 -31.274 -31.933 -32.589 -33.242 -33.893 -34.542 -35.189 -35.835 -36.479 -37.123 -37.766 -38.408 -39.050 -39.693 -40.336 -40.979 -41.623 -42.267 8.613 5.081 1.807 -1.206 -3.990 -6.577 -8.997 -11.273 -13.427 -15.475 -17.433 -19.316 -21.135 -22.898 -24.613 -27.919 -28.563 -29.202 -29.837 -30.468 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Wt.(g/mol) = 504.310 V(cc/mol) = 157.532 D(g/cc) = 3.201 Ref: ZS91 4 -3.000 1 5.000 9 3.000 27 1.000 23 -21.421 -22.764 -24.384 -26.128 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.421 -22.764 -24.384 -26.128 -27.952 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.415 -22.759 -24.379 -26.123 -27.948 -29.846 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-24.660 -26.388 -28.062 -29.688 -31.275 -32.827 -34.350 -37.323 -37.907 -38.488 -39.067 -39.644 -40.218 -40.790 -41.361 -41.930 -42.499 -43.066 -43.633 -44.199 -44.766 -45.332 -45.899 -46.467 -47.036 -47.605 -48.176 -48.748 -6.869 -9.176 -11.525 -13.786 -15.941 -17.995 -19.955 -21.828 -23.623 -25.348 -27.010 -28.618 -30.178 -31.697 -33.182 -36.064 -36.629 -37.190 -37.748 -38.303 -38.856 -39.406 -39.954 -40.500 -41.045 -41.588 -42.130 -42.672 -43.213 -43.754 -44.294 -44.835 -45.377 -45.919 -46.462 -47.006 99999.999 -7.979 -10.375 -12.680 -14.870 -16.952 -18.933 -20.821 -22.623 -24.349 -26.005 -27.600 -29.141 -30.635 -32.090 -34.899 -35.448 -35.992 -36.534 -37.072 -37.606 -38.139 -38.668 -39.196 -39.721 -40.245 -40.767 -41.289 -41.809 -42.329 -42.849 -43.368 -43.888 -44.408 -44.929 -45.451 apatite-Cl-zs Ca5(PO4)3Cl P-T:All Wt.(g/mol) = 520.770 V(cc/mol) = 164.025 D(g/cc) = 3.175 Ref: ZS91 4 -3.000 1 5.000 9 3.000 27 1.000 3 -7.326 -9.596 -12.003 -14.426 99999.999 99999.999 99999.999 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-11.989 -14.413 -16.830 -19.249 -21.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.290 -9.565 -11.974 -14.398 -16.815 -19.234 -21.676 -24.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.260 -9.538 -11.950 -14.375 -16.793 -19.211 -21.651 -24.139 -26.707 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 -6.945 -9.264 -11.696 -14.132 -16.552 -18.967 -21.396 -23.863 -26.399 -29.050 -31.892 -35.044 -38.685 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.792 -9.130 -11.572 -14.013 -16.435 -18.848 -21.272 -23.730 -26.252 -28.880 -31.684 -34.770 -38.298 -42.562 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.596 -8.959 -11.414 -13.861 -16.286 -18.697 -21.114 -23.561 -26.065 -28.665 -31.422 -34.430 -37.824 -41.862 -47.295 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.446 -8.827 -11.292 -13.745 -16.171 -18.580 -20.993 -23.431 -25.922 -28.502 -31.226 -34.176 -37.474 -41.351 -46.540 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.232 -8.640 -11.118 -13.578 -16.007 -18.415 -20.821 -23.248 -25.721 -28.273 -30.952 -33.826 -36.998 -40.662 -45.462 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.021 -8.454 -10.946 -13.413 -15.845 -18.251 -20.651 -23.068 -25.524 -28.050 -30.687 -33.493 -36.551 -40.023 -44.454 -46.373 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-12.771 -15.214 -17.616 -19.997 -22.376 -24.774 -27.213 -29.713 -32.301 -35.008 -37.900 -41.201 -45.738 -46.898 -48.077 -49.300 -50.642 -52.260 -54.379 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.004 -7.555 -10.111 -12.614 -15.060 -17.462 -19.838 -22.209 -24.595 -27.015 -29.488 -32.033 -34.676 -37.464 -40.566 -45.288 -46.436 -47.603 -48.798 -50.049 -51.408 -52.969 -54.848 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.808 -7.381 -9.949 -12.458 -14.908 -17.310 -19.682 -22.045 -24.419 -26.822 -29.270 -31.777 -34.362 -37.061 -39.995 -44.851 -45.980 -47.128 -48.299 -49.506 -50.768 -52.126 -53.634 -55.354 -57.333 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.614 -7.208 -9.788 -12.304 -14.757 -17.159 -19.527 -21.884 -24.246 -26.633 -29.057 -31.530 -34.066 -36.688 -39.482 -44.429 -45.538 -46.664 -47.811 -48.985 -50.196 -51.460 -52.803 -54.259 -55.861 -57.629 -59.564 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.422 -7.037 -9.628 -12.152 -14.608 -17.009 -19.375 -21.724 -24.076 -26.447 -28.850 -31.293 -33.786 -36.344 -39.023 -44.023 -45.112 -46.216 -47.340 -48.485 -49.658 -50.867 -52.123 -53.445 -54.849 -56.353 -57.964 -59.679 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.233 -6.867 -9.470 -12.000 -14.459 -16.861 -19.224 -21.566 -23.908 -26.265 -28.648 -31.065 -33.520 -36.024 -38.613 -43.633 -44.702 -45.785 -46.886 -48.006 -49.148 -50.316 -51.518 -52.760 -54.053 -55.406 -56.827 -58.314 -59.862 -61.454 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.045 -6.699 -9.313 -11.850 -14.313 -16.715 -19.074 -21.411 -23.743 -26.087 -28.451 -30.844 -33.267 -35.727 -38.244 -43.257 -44.307 -45.371 -46.450 -47.546 -48.661 -49.797 -50.958 -52.147 -53.370 -54.632 -55.935 -57.281 -58.667 -60.083 -61.517 99999.999 99999.999 99999.999 99999.999 99999.999 -3.860 -6.532 -9.158 -11.701 -14.167 -16.569 -18.926 -21.257 -23.581 -25.911 -28.259 -30.630 -33.025 -35.449 -37.912 -42.895 -43.928 -44.973 -46.031 -47.105 -48.195 -49.303 -50.431 -51.581 -52.755 -53.955 -55.182 -56.437 -57.717 -59.016 -60.326 -61.634 -62.925 99999.999 99999.999 99999.999 -3.676 -6.367 -9.003 -11.554 -14.023 -16.425 -18.780 -21.106 -23.420 -25.739 -28.071 -30.422 -32.793 -35.187 -37.609 -42.546 -43.562 -44.589 -45.628 -46.681 -47.749 -48.832 -49.932 -51.050 -52.186 -53.341 -54.516 -55.708 -56.916 -58.136 -59.360 -60.581 -61.787 -62.967 99999.999 99999.999 -3.494 -6.203 -8.850 -11.407 -13.880 -16.283 -18.635 -20.956 -23.262 -25.569 -27.886 -30.219 -32.569 -34.938 -37.328 -42.208 -43.208 -44.219 -45.240 -46.274 -47.321 -48.382 -49.457 -50.547 -51.652 -52.772 -53.906 -55.053 -56.210 -57.374 -58.539 -59.698 -60.844 -61.967 -63.057 -64.103 -3.314 -6.041 -8.698 -11.262 -13.738 -16.142 -18.492 -20.807 -23.106 -25.402 -27.705 -30.022 -32.352 -34.698 -37.062 -41.882 -42.867 -43.861 -44.866 -45.882 -46.910 -47.950 -49.002 -50.068 -51.147 -52.238 -53.339 -54.451 -55.569 -56.691 -57.813 -58.928 -60.030 -61.112 -62.166 -63.183 -1.609 -4.485 -7.237 -9.863 -12.374 -14.789 -17.128 -19.406 -21.643 -23.851 -26.042 -28.224 -30.398 -32.568 -34.733 -39.074 -39.947 -40.824 -41.704 -42.588 -43.476 -44.370 -45.268 -46.172 -47.081 -47.995 -48.913 -49.836 -50.762 -51.691 -52.621 -53.551 -54.479 -55.403 -56.323 -57.236 -0.048 -3.035 -5.868 -8.549 -11.096 -13.529 -15.866 -18.125 -20.321 -22.470 -24.584 -26.670 -28.735 -30.780 -32.809 -36.831 -37.632 -38.433 -39.234 -40.036 -40.839 -41.643 -42.450 -43.258 -44.068 -44.881 -45.696 -46.514 -47.334 -48.157 -48.982 -49.808 -50.637 -51.466 -52.297 -53.127 1.398 -1.671 -4.572 -7.305 -9.887 -12.340 -14.683 -16.932 -19.104 -21.213 -23.270 -25.287 -27.271 -29.224 -31.152 -34.941 -35.690 -36.438 -37.184 -37.929 -38.672 -39.415 -40.158 -40.901 -41.644 -42.388 -43.133 -43.878 -44.625 -45.373 -46.123 -46.874 -47.627 -48.381 -49.137 -49.894 2.754 -0.377 -3.337 -6.116 -8.733 -11.209 -13.562 -15.809 -17.967 -20.048 -22.066 -24.032 -25.953 -27.836 -29.685 -33.297 -34.007 -34.715 -35.419 -36.121 -36.821 -37.519 -38.215 -38.910 -39.604 -40.297 -40.990 -41.682 -42.375 -43.069 -43.762 -44.457 -45.152 -45.849 -46.546 -47.245 4.036 0.861 -2.151 -4.975 -7.626 -10.125 -12.492 -14.742 -16.893 -18.957 -20.947 -22.874 -24.748 -26.575 -28.363 -31.834 -32.515 -33.191 -33.863 -34.532 -35.197 -35.860 -36.521 -37.179 -37.835 -38.490 -39.143 -39.796 -40.448 -41.099 -41.750 -42.401 -43.053 -43.704 -44.357 -45.010 5.258 2.052 -1.009 -3.874 -6.558 -9.081 -11.464 -13.721 -15.870 -17.924 -19.894 -21.793 -23.631 -25.416 -27.154 -30.513 -31.169 -31.820 -32.467 -33.109 -33.748 -34.383 -35.015 -35.644 -36.271 -36.896 -37.518 -38.139 -38.759 -39.377 -39.995 -40.613 -41.230 -41.847 -42.464 -43.082 6.431 3.205 0.099 -2.808 -5.523 -8.072 -10.471 -12.739 -14.890 -16.939 -18.897 -20.776 -22.586 -24.337 -26.036 -29.305 -29.941 -30.571 -31.197 -31.818 -32.435 -33.048 -33.657 -34.264 -34.867 -35.467 -36.065 -36.661 -37.255 -37.848 -38.439 -39.030 -39.620 -40.209 -40.799 -41.388 99999.999 4.326 1.177 -1.770 -4.518 -7.091 -9.509 -11.789 -13.946 -15.993 -17.944 -19.809 -21.600 -23.324 -24.993 -28.188 -28.808 -29.422 -30.030 -30.634 -31.233 -31.828 -32.419 -33.006 -33.590 -34.171 -34.749 -35.325 -35.898 -36.470 -37.041 -37.610 -38.178 -38.746 -39.313 -39.880 aragonite CaO3C P-T:All Wt.(g/mol) = 100.090 V(cc/mol) = 34.150 D(g/cc) = 2.931 Ref: H&P2011 3 1.000 9 1.000 5 -1.000 1 2.404 2.025 1.652 1.293 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.404 2.025 1.652 1.293 0.947 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.405 2.025 1.652 1.294 0.947 0.609 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.406 2.026 1.653 1.295 0.948 0.610 0.274 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.409 2.028 1.655 1.296 0.950 0.611 0.275 -0.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.413 2.032 1.658 1.299 0.953 0.614 0.278 -0.060 -0.408 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.419 2.037 1.662 1.303 0.957 0.618 0.283 -0.056 -0.402 -0.766 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.428 2.044 1.669 1.309 0.963 0.624 0.289 -0.049 -0.394 -0.756 -1.147 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.440 2.053 1.677 1.317 0.970 0.632 0.297 -0.039 -0.384 -0.743 -1.131 -1.566 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.456 2.066 1.688 1.328 0.981 0.643 0.309 -0.027 -0.369 -0.727 -1.110 -1.537 -2.034 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.477 2.083 1.703 1.341 0.994 0.657 0.323 -0.011 -0.351 -0.705 -1.083 -1.500 -1.981 -2.570 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.503 2.104 1.722 1.359 1.012 0.674 0.342 0.010 -0.328 -0.678 -1.049 -1.455 -1.916 -2.471 -3.236 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.523 2.120 1.736 1.373 1.025 0.688 0.356 0.025 -0.311 -0.657 -1.023 -1.421 -1.869 -2.400 -3.124 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.552 2.143 1.756 1.392 1.044 0.707 0.376 0.047 -0.286 -0.629 -0.988 -1.375 -1.804 -2.304 -2.970 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.580 2.165 1.776 1.410 1.062 0.726 0.396 0.068 -0.262 -0.601 -0.954 -1.331 -1.744 -2.216 -2.828 -3.221 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.607 2.187 1.796 1.429 1.080 0.744 0.415 0.089 -0.239 -0.574 -0.922 -1.289 -1.687 -2.135 -2.698 -3.191 -3.367 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.634 2.209 1.815 1.447 1.098 0.762 0.434 0.110 -0.216 -0.548 -0.890 -1.250 -1.634 -2.060 -2.579 -3.136 -3.304 -3.498 -3.804 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.660 2.230 1.834 1.465 1.115 0.780 0.453 0.130 -0.194 -0.523 -0.860 -1.212 -1.585 -1.991 -2.472 -3.067 -3.236 -3.412 -3.613 -3.881 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.686 2.251 1.853 1.482 1.133 0.797 0.471 0.149 -0.172 -0.498 -0.831 -1.176 -1.538 -1.927 -2.375 -2.999 -3.164 -3.334 -3.515 -3.719 -3.967 -4.291 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.712 2.272 1.871 1.500 1.150 0.814 0.489 0.168 -0.151 -0.474 -0.803 -1.142 -1.494 -1.868 -2.288 -2.933 -3.093 -3.259 -3.431 -3.614 -3.817 -4.052 -4.335 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.737 2.292 1.890 1.517 1.166 0.831 0.507 0.187 -0.131 -0.451 -0.776 -1.109 -1.454 -1.815 -2.210 -2.870 -3.026 -3.187 -3.353 -3.526 -3.709 -3.909 -4.133 -4.390 -4.684 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.761 2.312 1.907 1.534 1.183 0.848 0.524 0.206 -0.110 -0.428 -0.750 -1.078 -1.415 -1.765 -2.140 -2.810 -2.963 -3.119 -3.279 -3.445 -3.618 -3.801 -3.996 -4.210 -4.447 -4.708 -4.994 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.786 2.332 1.925 1.550 1.199 0.864 0.541 0.224 -0.090 -0.406 -0.724 -1.048 -1.379 -1.719 -2.078 -2.753 -2.902 -3.054 -3.210 -3.370 -3.536 -3.708 -3.888 -4.079 -4.284 -4.504 -4.741 -4.993 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.809 2.351 1.942 1.567 1.215 0.880 0.557 0.242 -0.071 -0.384 -0.700 -1.019 -1.345 -1.677 -2.023 -2.699 -2.844 -2.993 -3.145 -3.300 -3.459 -3.624 -3.794 -3.971 -4.157 -4.353 -4.560 -4.777 -5.003 -5.236 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.833 2.370 1.959 1.583 1.231 0.896 0.574 0.259 -0.052 -0.363 -0.676 -0.992 -1.312 -1.639 -1.974 -2.647 -2.789 -2.935 -3.082 -3.233 -3.388 -3.546 -3.709 -3.877 -4.051 -4.232 -4.419 -4.614 -4.815 -5.021 -5.230 99999.999 99999.999 99999.999 99999.999 99999.999 2.855 2.389 1.976 1.599 1.246 0.912 0.590 0.276 -0.033 -0.342 -0.652 -0.965 -1.282 -1.603 -1.930 -2.597 -2.737 -2.879 -3.023 -3.170 -3.321 -3.474 -3.631 -3.792 -3.958 -4.128 -4.303 -4.482 -4.666 -4.854 -5.043 -5.232 -5.420 99999.999 99999.999 99999.999 2.878 2.408 1.993 1.614 1.261 0.927 0.606 0.293 -0.015 -0.322 -0.630 -0.940 -1.252 -1.569 -1.890 -2.550 -2.687 -2.826 -2.967 -3.110 -3.257 -3.406 -3.558 -3.714 -3.872 -4.035 -4.201 -4.370 -4.542 -4.716 -4.892 -5.068 -5.242 -5.412 99999.999 99999.999 2.900 2.426 2.009 1.630 1.276 0.942 0.622 0.310 0.003 -0.302 -0.608 -0.915 -1.224 -1.537 -1.853 -2.504 -2.638 -2.775 -2.913 -3.053 -3.196 -3.342 -3.489 -3.640 -3.794 -3.950 -4.109 -4.270 -4.434 -4.599 -4.765 -4.930 -5.094 -5.256 -5.412 -5.563 2.922 2.444 2.025 1.645 1.291 0.957 0.637 0.326 0.021 -0.283 -0.586 -0.891 -1.197 -1.506 -1.819 -2.460 -2.592 -2.726 -2.861 -2.999 -3.138 -3.280 -3.424 -3.571 -3.720 -3.871 -4.025 -4.180 -4.337 -4.495 -4.653 -4.812 -4.968 -5.123 -5.273 -5.419 3.122 2.611 2.176 1.787 1.430 1.096 0.780 0.476 0.182 -0.107 -0.393 -0.676 -0.959 -1.241 -1.523 -2.090 -2.205 -2.320 -2.436 -2.553 -2.670 -2.789 -2.908 -3.029 -3.150 -3.272 -3.395 -3.519 -3.644 -3.770 -3.895 -4.021 -4.147 -4.273 -4.398 -4.523 3.293 2.757 2.309 1.914 1.553 1.220 0.906 0.607 0.321 0.042 -0.230 -0.498 -0.763 -1.026 -1.287 -1.805 -1.908 -2.012 -2.116 -2.220 -2.324 -2.429 -2.534 -2.640 -2.746 -2.853 -2.960 -3.067 -3.176 -3.284 -3.393 -3.503 -3.613 -3.723 -3.834 -3.945 3.442 2.886 2.429 2.028 1.665 1.331 1.019 0.724 0.443 0.173 -0.090 -0.346 -0.598 -0.845 -1.090 -1.572 -1.667 -1.763 -1.858 -1.953 -2.048 -2.144 -2.239 -2.335 -2.431 -2.527 -2.623 -2.720 -2.816 -2.914 -3.011 -3.109 -3.208 -3.306 -3.405 -3.505 3.573 3.003 2.537 2.131 1.766 1.432 1.121 0.830 0.553 0.289 0.034 -0.213 -0.454 -0.690 -0.922 -1.375 -1.464 -1.553 -1.642 -1.731 -1.819 -1.907 -1.996 -2.084 -2.172 -2.260 -2.349 -2.437 -2.526 -2.615 -2.704 -2.793 -2.883 -2.972 -3.063 -3.153 3.690 3.108 2.636 2.226 1.860 1.525 1.215 0.926 0.653 0.393 0.145 -0.095 -0.327 -0.553 -0.775 -1.205 -1.289 -1.373 -1.457 -1.540 -1.623 -1.706 -1.789 -1.871 -1.954 -2.036 -2.118 -2.200 -2.283 -2.365 -2.447 -2.530 -2.613 -2.696 -2.779 -2.863 3.795 3.205 2.727 2.314 1.946 1.611 1.302 1.015 0.744 0.489 0.245 0.012 -0.213 -0.432 -0.644 -1.056 -1.136 -1.216 -1.295 -1.375 -1.453 -1.532 -1.610 -1.687 -1.765 -1.842 -1.920 -1.997 -2.074 -2.152 -2.229 -2.306 -2.384 -2.461 -2.539 -2.617 3.890 3.294 2.811 2.396 2.027 1.691 1.383 1.097 0.829 0.577 0.337 0.109 -0.111 -0.322 -0.528 -0.923 -1.000 -1.077 -1.152 -1.228 -1.303 -1.378 -1.452 -1.526 -1.600 -1.673 -1.747 -1.820 -1.893 -1.966 -2.039 -2.113 -2.186 -2.259 -2.333 -2.406 99999.999 3.376 2.890 2.472 2.102 1.767 1.459 1.174 0.908 0.658 0.422 0.198 -0.017 -0.223 -0.422 -0.804 -0.878 -0.952 -1.025 -1.097 -1.169 -1.241 -1.312 -1.383 -1.453 -1.524 -1.594 -1.664 -1.733 -1.803 -1.873 -1.943 -2.012 -2.082 -2.152 -2.222 brucite MgO2H2 P-T:All Wt.(g/mol) = 58.330 V(cc/mol) = 24.630 D(g/cc) = 2.368 Ref: H&P2011 3 1.000 10 2.000 2 -2.000 1 18.240 16.435 14.925 13.650 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.240 16.435 14.925 13.650 12.561 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.240 16.436 14.925 13.650 12.561 11.619 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.241 16.436 14.926 13.651 12.561 11.619 10.794 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.242 16.437 14.927 13.651 12.562 11.620 10.795 10.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.243 16.438 14.928 13.652 12.563 11.621 10.796 10.065 9.409 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.245 16.440 14.929 13.654 12.565 11.622 10.798 10.067 9.412 8.816 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.248 16.442 14.932 13.656 12.567 11.625 10.800 10.070 9.415 8.819 8.268 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.252 16.446 14.935 13.660 12.570 11.628 10.804 10.074 9.419 8.825 8.274 7.754 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.257 16.451 14.939 13.664 12.574 11.632 10.808 10.079 9.425 8.832 8.283 7.765 7.271 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.263 16.456 14.945 13.669 12.580 11.638 10.814 10.085 9.433 8.840 8.294 7.780 7.290 6.833 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.271 16.464 14.952 13.676 12.586 11.645 10.822 10.093 9.442 8.851 8.308 7.799 7.314 6.852 6.485 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.278 16.470 14.957 13.681 12.592 11.650 10.827 10.100 9.449 8.860 8.318 7.813 7.333 6.872 6.432 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.286 16.477 14.965 13.688 12.599 11.658 10.835 10.108 9.459 8.871 8.333 7.832 7.359 6.905 6.439 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.294 16.485 14.972 13.695 12.606 11.665 10.843 10.117 9.468 8.882 8.347 7.850 7.385 6.939 6.476 8.790 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.302 16.492 14.979 13.702 12.612 11.672 10.850 10.125 9.477 8.893 8.360 7.868 7.409 6.973 6.523 7.140 7.820 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.310 16.500 14.986 13.709 12.619 11.678 10.857 10.133 9.486 8.903 8.372 7.884 7.431 7.005 6.572 6.738 6.963 7.384 7.998 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.317 16.506 14.992 13.715 12.625 11.685 10.864 10.140 9.495 8.913 8.384 7.900 7.453 7.035 6.620 6.559 6.639 6.810 7.098 7.495 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.324 16.513 14.999 13.721 12.632 11.691 10.871 10.148 9.503 8.923 8.396 7.915 7.472 7.062 6.664 6.459 6.474 6.540 6.671 6.879 7.154 7.460 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.331 16.520 15.005 13.727 12.638 11.698 10.878 10.155 9.511 8.932 8.407 7.928 7.490 7.088 6.703 6.398 6.377 6.388 6.441 6.542 6.696 6.896 7.119 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.338 16.526 15.011 13.733 12.643 11.703 10.884 10.162 9.518 8.941 8.417 7.941 7.507 7.110 6.738 6.359 6.315 6.294 6.302 6.343 6.421 6.537 6.686 6.854 7.026 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.344 16.532 15.017 13.739 12.649 11.709 10.890 10.168 9.526 8.949 8.427 7.954 7.522 7.130 6.768 6.333 6.274 6.233 6.212 6.216 6.246 6.306 6.395 6.507 6.636 6.772 6.905 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.350 16.538 15.023 13.745 12.655 11.715 10.896 10.175 9.533 8.957 8.437 7.965 7.536 7.148 6.794 6.317 6.247 6.191 6.152 6.130 6.130 6.152 6.197 6.264 6.351 6.451 6.560 6.672 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.356 16.543 15.028 13.750 12.660 11.720 10.902 10.181 9.540 8.965 8.446 7.976 7.549 7.163 6.815 6.306 6.228 6.162 6.110 6.071 6.049 6.045 6.059 6.092 6.144 6.211 6.290 6.378 6.472 6.567 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.361 16.549 15.033 13.755 12.665 11.726 10.907 10.187 9.547 8.973 8.455 7.986 7.561 7.177 6.832 6.300 6.216 6.143 6.080 6.030 5.992 5.969 5.961 5.969 5.992 6.031 6.083 6.146 6.219 6.297 6.381 99999.999 99999.999 99999.999 99999.999 99999.999 18.366 16.554 15.039 13.760 12.670 11.731 10.913 10.193 9.554 8.981 8.463 7.995 7.571 7.189 6.846 6.297 6.209 6.130 6.060 6.000 5.951 5.914 5.889 5.878 5.881 5.897 5.925 5.966 6.016 6.076 6.143 6.216 6.295 99999.999 99999.999 99999.999 18.372 16.559 15.044 13.765 12.675 11.736 10.918 10.199 9.560 8.988 8.472 8.004 7.581 7.199 6.857 6.296 6.205 6.121 6.045 5.978 5.921 5.873 5.837 5.811 5.797 5.795 5.805 5.825 5.857 5.897 5.946 6.003 6.067 6.138 99999.999 99999.999 18.376 16.564 15.049 13.770 12.680 11.741 10.924 10.205 9.566 8.995 8.479 8.013 7.591 7.209 6.866 6.298 6.203 6.116 6.036 5.963 5.899 5.844 5.797 5.761 5.734 5.718 5.712 5.716 5.730 5.754 5.787 5.828 5.876 5.932 5.995 6.065 18.381 16.569 15.053 13.775 12.685 11.746 10.929 10.210 9.572 9.002 8.487 8.021 7.599 7.218 6.875 6.300 6.204 6.113 6.030 5.953 5.884 5.822 5.768 5.723 5.686 5.658 5.640 5.631 5.631 5.640 5.658 5.683 5.717 5.759 5.807 5.863 18.418 16.609 15.094 13.815 12.726 11.788 10.972 10.258 9.625 9.060 8.553 8.094 7.678 7.300 6.957 6.362 6.256 6.154 6.057 5.964 5.874 5.788 5.706 5.628 5.553 5.482 5.415 5.351 5.291 5.235 5.182 5.134 5.089 5.048 5.010 4.977 18.439 16.638 15.125 13.847 12.757 11.820 11.007 10.294 9.665 9.106 8.604 8.151 7.741 7.368 7.028 6.435 6.329 6.226 6.126 6.030 5.938 5.848 5.761 5.677 5.596 5.517 5.441 5.367 5.296 5.227 5.160 5.095 5.032 4.971 4.913 4.856 18.448 16.658 15.148 13.871 12.783 11.846 11.034 10.324 9.698 9.142 8.644 8.197 7.792 7.424 7.089 6.502 6.397 6.295 6.196 6.100 6.008 5.918 5.831 5.746 5.664 5.584 5.507 5.431 5.358 5.286 5.216 5.148 5.081 5.016 4.952 4.890 18.448 16.670 15.165 13.890 12.803 11.867 11.056 10.348 9.724 9.171 8.677 8.234 7.833 7.470 7.140 6.561 6.457 6.356 6.258 6.164 6.072 5.984 5.897 5.814 5.732 5.653 5.576 5.501 5.428 5.357 5.287 5.219 5.152 5.087 5.022 4.960 18.441 16.678 15.177 13.904 12.819 11.884 11.074 10.367 9.745 9.194 8.704 8.264 7.867 7.508 7.182 6.611 6.508 6.409 6.313 6.220 6.130 6.042 5.957 5.875 5.795 5.717 5.641 5.567 5.495 5.425 5.356 5.289 5.223 5.159 5.096 5.034 18.428 16.681 15.186 13.916 12.831 11.898 11.089 10.383 9.763 9.214 8.726 8.289 7.896 7.540 7.218 6.654 6.553 6.455 6.360 6.268 6.180 6.093 6.010 5.929 5.850 5.773 5.699 5.626 5.555 5.486 5.419 5.353 5.289 5.226 5.164 5.103 18.411 16.681 15.191 13.924 12.842 11.910 11.102 10.397 9.778 9.230 8.744 8.310 7.919 7.567 7.248 6.691 6.591 6.494 6.401 6.311 6.223 6.138 6.056 5.976 5.898 5.823 5.750 5.678 5.609 5.541 5.475 5.411 5.347 5.286 5.225 5.166 99999.999 16.678 15.195 13.931 12.850 11.919 11.113 10.409 9.790 9.245 8.760 8.327 7.939 7.590 7.273 6.723 6.624 6.529 6.436 6.347 6.261 6.177 6.096 6.017 5.941 5.867 5.795 5.724 5.656 5.589 5.525 5.461 5.399 5.339 5.279 5.221 calcite CaCO3 P-T:All Wt.(g/mol) = 100.090 V(cc/mol) = 36.890 D(g/cc) = 2.713 Ref: H&P2011 3 1.000 9 1.000 5 -1.000 1 2.242 1.864 1.493 1.135 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.242 1.864 1.493 1.135 0.790 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.243 1.865 1.493 1.136 0.790 0.452 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.244 1.866 1.495 1.137 0.791 0.453 0.118 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.247 1.869 1.497 1.139 0.793 0.455 0.120 -0.219 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.252 1.872 1.500 1.142 0.796 0.458 0.123 -0.215 -0.562 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.258 1.878 1.505 1.146 0.801 0.463 0.128 -0.210 -0.556 -0.919 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.268 1.885 1.511 1.153 0.807 0.469 0.134 -0.203 -0.548 -0.909 -1.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.281 1.896 1.521 1.162 0.816 0.478 0.143 -0.193 -0.537 -0.896 -1.282 -1.716 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.298 1.910 1.533 1.173 0.827 0.490 0.156 -0.180 -0.522 -0.878 -1.260 -1.686 -2.183 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.321 1.928 1.549 1.189 0.842 0.505 0.172 -0.162 -0.502 -0.855 -1.232 -1.649 -2.128 -2.716 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.350 1.951 1.570 1.208 0.861 0.524 0.192 -0.141 -0.478 -0.827 -1.197 -1.602 -2.063 -2.617 -3.380 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.372 1.969 1.586 1.223 0.875 0.539 0.207 -0.124 -0.459 -0.806 -1.171 -1.568 -2.014 -2.544 -3.267 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.403 1.994 1.609 1.244 0.896 0.559 0.229 -0.100 -0.433 -0.775 -1.134 -1.520 -1.948 -2.448 -3.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.433 2.019 1.631 1.265 0.916 0.580 0.250 -0.077 -0.408 -0.746 -1.099 -1.475 -1.887 -2.358 -2.968 -3.358 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.463 2.044 1.653 1.285 0.936 0.600 0.271 -0.055 -0.383 -0.718 -1.065 -1.432 -1.829 -2.276 -2.837 -3.326 -3.502 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.493 2.068 1.674 1.306 0.956 0.620 0.292 -0.033 -0.359 -0.690 -1.032 -1.391 -1.775 -2.200 -2.717 -3.270 -3.438 -3.631 -3.937 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.522 2.092 1.695 1.325 0.975 0.639 0.312 -0.011 -0.335 -0.664 -1.001 -1.352 -1.724 -2.129 -2.609 -3.201 -3.368 -3.544 -3.744 -4.011 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.550 2.115 1.716 1.345 0.995 0.659 0.332 0.010 -0.312 -0.638 -0.970 -1.315 -1.676 -2.064 -2.511 -3.131 -3.295 -3.465 -3.646 -3.848 -4.095 -4.418 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.578 2.138 1.737 1.365 1.013 0.678 0.352 0.031 -0.289 -0.612 -0.941 -1.279 -1.631 -2.004 -2.423 -3.064 -3.224 -3.389 -3.560 -3.743 -3.944 -4.178 -4.461 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.606 2.161 1.757 1.384 1.032 0.696 0.371 0.051 -0.267 -0.587 -0.913 -1.245 -1.589 -1.949 -2.344 -3.000 -3.156 -3.316 -3.481 -3.653 -3.836 -4.035 -4.258 -4.513 -4.807 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.633 2.183 1.777 1.402 1.050 0.715 0.390 0.071 -0.245 -0.563 -0.885 -1.213 -1.549 -1.899 -2.273 -2.939 -3.091 -3.247 -3.407 -3.572 -3.744 -3.925 -4.120 -4.333 -4.568 -4.829 -5.114 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.660 2.205 1.797 1.421 1.069 0.733 0.408 0.091 -0.224 -0.540 -0.858 -1.182 -1.512 -1.852 -2.210 -2.881 -3.030 -3.181 -3.336 -3.496 -3.660 -3.831 -4.011 -4.201 -4.404 -4.624 -4.859 -5.110 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.686 2.227 1.817 1.439 1.086 0.751 0.427 0.110 -0.203 -0.517 -0.832 -1.152 -1.477 -1.809 -2.153 -2.826 -2.971 -3.119 -3.270 -3.424 -3.583 -3.746 -3.916 -4.092 -4.277 -4.472 -4.678 -4.894 -5.119 -5.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.712 2.248 1.836 1.458 1.104 0.768 0.445 0.129 -0.183 -0.494 -0.807 -1.123 -1.443 -1.769 -2.103 -2.773 -2.915 -3.059 -3.207 -3.357 -3.510 -3.668 -3.830 -3.997 -4.170 -4.350 -4.536 -4.730 -4.930 -5.134 -5.342 99999.999 99999.999 99999.999 99999.999 99999.999 2.738 2.270 1.855 1.476 1.121 0.786 0.463 0.148 -0.162 -0.472 -0.782 -1.095 -1.411 -1.731 -2.058 -2.723 -2.862 -3.003 -3.146 -3.293 -3.442 -3.595 -3.751 -3.911 -4.075 -4.245 -4.418 -4.597 -4.780 -4.966 -5.154 -5.343 -5.529 99999.999 99999.999 99999.999 2.763 2.291 1.874 1.493 1.139 0.803 0.480 0.167 -0.143 -0.450 -0.758 -1.068 -1.381 -1.696 -2.017 -2.674 -2.810 -2.948 -3.089 -3.232 -3.377 -3.526 -3.677 -3.831 -3.989 -4.151 -4.315 -4.484 -4.655 -4.828 -5.003 -5.177 -5.350 -5.519 99999.999 99999.999 2.788 2.311 1.892 1.511 1.156 0.820 0.498 0.185 -0.123 -0.429 -0.735 -1.042 -1.351 -1.663 -1.979 -2.627 -2.761 -2.897 -3.034 -3.174 -3.316 -3.460 -3.607 -3.757 -3.910 -4.065 -4.223 -4.383 -4.546 -4.710 -4.874 -5.039 -5.202 -5.362 -5.517 -5.667 2.812 2.332 1.911 1.528 1.172 0.837 0.515 0.203 -0.104 -0.408 -0.712 -1.017 -1.323 -1.632 -1.943 -2.582 -2.713 -2.847 -2.981 -3.118 -3.257 -3.398 -3.541 -3.687 -3.835 -3.985 -4.138 -4.292 -4.448 -4.605 -4.762 -4.919 -5.075 -5.228 -5.377 -5.521 3.038 2.522 2.083 1.691 1.330 0.994 0.675 0.369 0.072 -0.218 -0.505 -0.789 -1.072 -1.354 -1.636 -2.201 -2.316 -2.430 -2.546 -2.662 -2.779 -2.897 -3.015 -3.135 -3.256 -3.377 -3.499 -3.622 -3.746 -3.871 -3.995 -4.120 -4.245 -4.370 -4.494 -4.617 3.236 2.692 2.239 1.838 1.473 1.135 0.818 0.516 0.226 -0.054 -0.329 -0.598 -0.864 -1.127 -1.388 -1.905 -2.009 -2.112 -2.215 -2.319 -2.423 -2.527 -2.632 -2.737 -2.842 -2.948 -3.055 -3.161 -3.269 -3.377 -3.485 -3.593 -3.702 -3.812 -3.921 -4.031 3.411 2.846 2.381 1.972 1.604 1.264 0.947 0.649 0.364 0.090 -0.175 -0.433 -0.686 -0.935 -1.180 -1.662 -1.757 -1.852 -1.947 -2.042 -2.137 -2.232 -2.327 -2.422 -2.518 -2.613 -2.709 -2.805 -2.901 -2.997 -3.094 -3.191 -3.289 -3.386 -3.484 -3.583 3.568 2.986 2.511 2.097 1.724 1.383 1.067 0.770 0.489 0.221 -0.037 -0.287 -0.530 -0.767 -1.000 -1.454 -1.544 -1.633 -1.721 -1.810 -1.898 -1.986 -2.074 -2.162 -2.250 -2.337 -2.425 -2.513 -2.601 -2.689 -2.778 -2.866 -2.955 -3.044 -3.133 -3.223 3.711 3.116 2.632 2.212 1.837 1.494 1.178 0.882 0.604 0.340 0.087 -0.155 -0.390 -0.619 -0.842 -1.274 -1.358 -1.443 -1.526 -1.610 -1.692 -1.775 -1.858 -1.940 -2.022 -2.104 -2.185 -2.267 -2.349 -2.431 -2.513 -2.595 -2.677 -2.759 -2.842 -2.924 3.842 3.236 2.745 2.321 1.942 1.598 1.282 0.987 0.711 0.450 0.202 -0.036 -0.264 -0.485 -0.700 -1.114 -1.195 -1.275 -1.354 -1.434 -1.512 -1.591 -1.669 -1.746 -1.824 -1.901 -1.978 -2.055 -2.132 -2.209 -2.286 -2.362 -2.439 -2.516 -2.593 -2.671 3.963 3.349 2.852 2.423 2.042 1.697 1.379 1.085 0.811 0.552 0.307 0.074 -0.149 -0.364 -0.572 -0.971 -1.048 -1.125 -1.201 -1.277 -1.352 -1.427 -1.501 -1.575 -1.649 -1.723 -1.796 -1.869 -1.942 -2.015 -2.087 -2.160 -2.233 -2.306 -2.378 -2.451 99999.999 3.456 2.953 2.520 2.137 1.790 1.472 1.178 0.905 0.648 0.406 0.177 -0.042 -0.252 -0.455 -0.841 -0.916 -0.990 -1.063 -1.136 -1.208 -1.280 -1.352 -1.423 -1.493 -1.564 -1.634 -1.703 -1.773 -1.843 -1.912 -1.981 -2.051 -2.120 -2.190 -2.259 carnegieite-low NaAlSiO4 P-T:All Wt.(g/mol) = 142.052 V(cc/mol) = 56.030 D(g/cc) = 2.535 Ref: H&P2011 4 1.000 13 1.000 8 1.000 7 -4.000 1 16.085 13.920 12.031 10.400 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.085 13.920 12.032 10.400 8.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.086 13.921 12.033 10.401 8.984 7.739 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.088 13.923 12.035 10.403 8.986 7.742 6.635 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.092 13.927 12.038 10.407 8.989 7.745 6.639 5.641 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.097 13.933 12.044 10.412 8.995 7.751 6.645 5.647 4.736 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.106 13.941 12.053 10.421 9.003 7.759 6.653 5.657 4.746 3.898 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.118 13.954 12.065 10.433 9.015 7.771 6.666 5.669 4.759 3.913 3.106 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.134 13.970 12.081 10.449 9.031 7.788 6.682 5.687 4.778 3.934 3.130 2.344 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.156 13.993 12.103 10.471 9.053 7.809 6.705 5.711 4.803 3.961 3.162 2.382 1.612 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.184 14.021 12.131 10.498 9.081 7.837 6.734 5.741 4.836 3.997 3.202 2.431 1.670 0.946 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.218 14.057 12.167 10.534 9.116 7.873 6.770 5.779 4.876 4.041 3.253 2.493 1.744 1.009 0.454 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.244 14.084 12.194 10.560 9.142 7.900 6.798 5.808 4.907 4.075 3.292 2.539 1.801 1.071 0.358 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.281 14.122 12.232 10.598 9.180 7.938 6.837 5.849 4.950 4.122 3.346 2.604 1.882 1.166 0.396 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.315 14.159 12.268 10.634 9.216 7.974 6.874 5.888 4.992 4.168 3.398 2.666 1.960 1.263 0.500 5.946 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.349 14.194 12.304 10.670 9.252 8.010 6.911 5.927 5.033 4.213 3.448 2.726 2.035 1.359 0.625 2.315 3.881 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.381 14.228 12.339 10.704 9.286 8.045 6.947 5.964 5.073 4.256 3.497 2.784 2.106 1.451 0.753 1.470 2.024 3.013 4.453 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.411 14.262 12.372 10.738 9.320 8.079 6.982 6.001 5.112 4.298 3.544 2.839 2.174 1.538 0.878 1.110 1.348 1.783 2.475 3.420 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.441 14.294 12.405 10.771 9.353 8.113 7.016 6.036 5.150 4.338 3.589 2.891 2.238 1.619 0.994 0.923 1.019 1.223 1.569 2.082 2.751 3.499 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.469 14.325 12.437 10.803 9.385 8.145 7.050 6.071 5.186 4.378 3.633 2.942 2.298 1.695 1.102 0.819 0.836 0.923 1.096 1.375 1.768 2.264 2.822 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.495 14.355 12.468 10.834 9.416 8.177 7.082 6.105 5.222 4.417 3.675 2.990 2.354 1.764 1.198 0.760 0.730 0.747 0.823 0.969 1.195 1.503 1.883 2.312 2.754 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.521 14.384 12.498 10.864 9.446 8.208 7.114 6.138 5.257 4.454 3.716 3.036 2.407 1.828 1.284 0.730 0.668 0.641 0.656 0.721 0.842 1.026 1.271 1.570 1.907 2.263 2.617 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.546 14.412 12.527 10.893 9.476 8.238 7.145 6.170 5.291 4.491 3.756 3.080 2.457 1.887 1.359 0.719 0.635 0.578 0.552 0.564 0.617 0.718 0.867 1.064 1.303 1.574 1.865 2.164 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.569 14.440 12.555 10.922 9.505 8.267 7.175 6.202 5.324 4.526 3.794 3.122 2.504 1.940 1.425 0.720 0.619 0.541 0.487 0.463 0.470 0.513 0.595 0.717 0.876 1.070 1.292 1.534 1.788 2.049 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.592 14.466 12.583 10.950 9.533 8.296 7.205 6.232 5.357 4.561 3.832 3.162 2.548 1.989 1.483 0.730 0.617 0.523 0.449 0.398 0.373 0.375 0.409 0.475 0.574 0.704 0.863 1.047 1.250 1.468 1.698 99999.999 99999.999 99999.999 99999.999 99999.999 16.613 14.492 12.610 10.977 9.561 8.324 7.233 6.262 5.388 4.594 3.868 3.201 2.590 2.034 1.532 0.746 0.624 0.518 0.429 0.359 0.309 0.283 0.281 0.306 0.358 0.438 0.545 0.677 0.830 1.003 1.192 1.394 1.610 99999.999 99999.999 99999.999 16.633 14.516 12.636 11.004 9.588 8.351 7.261 6.292 5.419 4.627 3.903 3.239 2.630 2.076 1.576 0.767 0.638 0.523 0.422 0.337 0.269 0.221 0.193 0.187 0.204 0.245 0.309 0.397 0.507 0.636 0.784 0.948 1.128 1.322 99999.999 99999.999 16.653 14.540 12.661 11.029 9.614 8.378 7.289 6.320 5.449 4.659 3.937 3.275 2.669 2.115 1.616 0.791 0.657 0.534 0.424 0.328 0.247 0.181 0.133 0.103 0.093 0.103 0.134 0.186 0.258 0.350 0.460 0.587 0.731 0.890 1.064 1.254 16.671 14.563 12.685 11.055 9.639 8.404 7.316 6.348 5.479 4.691 3.971 3.311 2.706 2.153 1.654 0.818 0.679 0.551 0.434 0.329 0.237 0.158 0.094 0.046 0.015 0.001 0.005 0.027 0.068 0.127 0.204 0.298 0.408 0.533 0.675 0.831 16.808 14.754 12.895 11.273 9.864 8.634 7.553 6.596 5.740 4.968 4.266 3.625 3.037 2.498 2.003 1.137 0.983 0.834 0.691 0.553 0.421 0.295 0.174 0.059 -0.050 -0.154 -0.252 -0.344 -0.430 -0.510 -0.583 -0.650 -0.710 -0.764 -0.810 -0.850 16.871 14.884 13.051 11.442 10.040 8.817 7.744 6.796 5.951 5.193 4.506 3.881 3.310 2.785 2.303 1.452 1.297 1.148 1.003 0.862 0.726 0.594 0.466 0.341 0.220 0.103 -0.011 -0.122 -0.229 -0.334 -0.435 -0.534 -0.630 -0.722 -0.812 -0.900 16.876 14.966 13.164 11.571 10.179 8.964 7.899 6.959 6.124 5.377 4.703 4.093 3.536 3.026 2.558 1.729 1.578 1.432 1.290 1.152 1.018 0.888 0.761 0.638 0.517 0.399 0.284 0.172 0.062 -0.046 -0.151 -0.255 -0.357 -0.457 -0.555 -0.652 16.835 15.008 13.242 11.667 10.287 9.081 8.024 7.092 6.266 5.529 4.867 4.269 3.725 3.228 2.773 1.969 1.822 1.681 1.543 1.409 1.279 1.153 1.029 0.909 0.792 0.677 0.565 0.456 0.348 0.243 0.139 0.037 -0.063 -0.162 -0.259 -0.356 16.755 15.018 13.290 11.736 10.370 9.174 8.125 7.201 6.383 5.655 5.003 4.416 3.884 3.400 2.957 2.175 2.034 1.896 1.763 1.634 1.508 1.385 1.266 1.150 1.037 0.926 0.818 0.712 0.609 0.507 0.407 0.309 0.212 0.117 0.023 -0.070 16.643 15.001 13.314 11.782 10.431 9.246 8.206 7.290 6.480 5.760 5.117 4.540 4.018 3.545 3.113 2.354 2.217 2.083 1.954 1.829 1.707 1.589 1.474 1.362 1.253 1.146 1.042 0.940 0.841 0.743 0.647 0.553 0.460 0.369 0.279 0.190 16.504 14.961 13.316 11.809 10.474 9.300 8.269 7.361 6.559 5.847 5.213 4.644 4.132 3.668 3.247 2.508 2.375 2.246 2.120 1.999 1.881 1.767 1.656 1.548 1.442 1.339 1.239 1.141 1.045 0.952 0.860 0.769 0.680 0.593 0.507 0.422 99999.999 14.901 13.301 11.819 10.501 9.339 8.318 7.418 6.624 5.920 5.293 4.732 4.228 3.774 3.361 2.641 2.512 2.386 2.265 2.147 2.033 1.922 1.815 1.710 1.608 1.509 1.412 1.318 1.226 1.135 1.047 0.960 0.875 0.791 0.709 0.628 carnegieite-high NaAlSiO4 P-T:All Wt.(g/mol) = 142.052 V(cc/mol) = 56.700 D(g/cc) = 2.505 Ref: H&P2011 4 1.000 13 1.000 8 1.000 7 -4.000 1 17.855 15.470 13.396 11.606 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.855 15.470 13.396 11.606 10.052 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.856 15.472 13.397 11.607 10.053 8.690 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.858 15.474 13.400 11.609 10.055 8.692 7.481 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.862 15.478 13.403 11.613 10.059 8.695 7.484 6.395 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.868 15.483 13.409 11.619 10.064 8.701 7.490 6.401 5.407 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.876 15.492 13.418 11.627 10.073 8.709 7.499 6.410 5.417 4.495 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.889 15.505 13.430 11.639 10.085 8.722 7.511 6.423 5.431 4.511 3.638 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.905 15.522 13.447 11.656 10.101 8.738 7.528 6.441 5.450 4.532 3.662 2.817 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.927 15.544 13.469 11.678 10.123 8.760 7.551 6.464 5.475 4.559 3.694 2.855 2.032 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.956 15.573 13.497 11.706 10.151 8.788 7.580 6.495 5.507 4.595 3.735 2.904 2.089 1.317 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.991 15.609 13.533 11.741 10.187 8.824 7.617 6.533 5.548 4.640 3.786 2.966 2.164 1.381 0.781 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.017 15.637 13.561 11.769 10.214 8.852 7.645 6.563 5.579 4.674 3.825 3.013 2.221 1.442 0.685 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.054 15.675 13.599 11.807 10.251 8.890 7.684 6.604 5.623 4.722 3.879 3.078 2.302 1.537 0.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.089 15.713 13.636 11.844 10.288 8.927 7.722 6.644 5.666 4.768 3.932 3.141 2.381 1.635 0.828 6.197 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.123 15.749 13.673 11.880 10.324 8.964 7.760 6.682 5.707 4.813 3.982 3.201 2.456 1.731 0.953 2.566 4.118 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.156 15.784 13.708 11.915 10.359 8.999 7.796 6.720 5.747 4.856 4.031 3.259 2.527 1.823 1.081 1.721 2.262 3.237 4.664 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.187 15.817 13.742 11.949 10.394 9.034 7.832 6.757 5.786 4.898 4.079 3.314 2.595 1.910 1.206 1.361 1.586 2.007 2.687 3.619 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.217 15.850 13.775 11.982 10.427 9.067 7.866 6.793 5.824 4.940 4.124 3.367 2.659 1.992 1.323 1.175 1.257 1.447 1.781 2.282 2.938 3.675 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.246 15.882 13.808 12.014 10.459 9.100 7.900 6.828 5.861 4.980 4.168 3.418 2.720 2.068 1.431 1.071 1.075 1.148 1.308 1.574 1.956 2.441 2.987 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.273 15.913 13.839 12.046 10.491 9.132 7.933 6.863 5.898 5.018 4.211 3.466 2.777 2.138 1.527 1.013 0.969 0.973 1.035 1.169 1.383 1.679 2.049 2.467 2.898 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.300 15.942 13.870 12.077 10.522 9.163 7.965 6.896 5.933 5.056 4.252 3.512 2.830 2.202 1.614 0.983 0.907 0.867 0.869 0.921 1.031 1.203 1.437 1.725 2.052 2.398 2.742 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.325 15.971 13.899 12.107 10.552 9.194 7.996 6.929 5.967 5.093 4.292 3.557 2.880 2.261 1.689 0.972 0.874 0.803 0.765 0.764 0.806 0.895 1.033 1.219 1.448 1.709 1.991 2.280 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.349 15.999 13.928 12.136 10.581 9.224 8.027 6.961 6.001 5.129 4.331 3.599 2.928 2.315 1.755 0.973 0.859 0.767 0.701 0.663 0.659 0.690 0.761 0.872 1.022 1.206 1.418 1.650 1.895 2.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.372 16.026 13.956 12.164 10.610 9.253 8.057 6.992 6.034 5.164 4.369 3.640 2.972 2.364 1.813 0.983 0.857 0.749 0.662 0.599 0.562 0.553 0.576 0.631 0.719 0.840 0.989 1.164 1.358 1.567 1.789 99999.999 99999.999 99999.999 99999.999 99999.999 18.394 16.052 13.984 12.192 10.638 9.281 8.086 7.022 6.066 5.198 4.405 3.679 3.014 2.409 1.863 0.999 0.864 0.745 0.643 0.560 0.498 0.460 0.448 0.462 0.504 0.574 0.671 0.794 0.938 1.102 1.283 1.477 1.685 99999.999 99999.999 99999.999 18.415 16.077 14.010 12.219 10.665 9.309 8.114 7.052 6.097 5.231 4.441 3.717 3.055 2.451 1.907 1.021 0.878 0.749 0.636 0.538 0.459 0.399 0.360 0.343 0.350 0.381 0.436 0.514 0.615 0.736 0.875 1.032 1.203 1.390 99999.999 99999.999 18.435 16.102 14.036 12.245 10.692 9.336 8.142 7.081 6.127 5.264 4.475 3.754 3.093 2.491 1.947 1.045 0.897 0.761 0.639 0.530 0.437 0.360 0.300 0.260 0.239 0.239 0.261 0.303 0.366 0.449 0.551 0.671 0.806 0.958 1.125 1.308 18.454 16.125 14.061 12.271 10.718 9.363 8.170 7.109 6.157 5.295 4.509 3.789 3.130 2.529 1.985 1.072 0.920 0.778 0.648 0.531 0.427 0.337 0.262 0.203 0.161 0.137 0.131 0.145 0.177 0.227 0.295 0.381 0.484 0.602 0.736 0.885 18.597 16.322 14.277 12.495 10.947 9.597 8.411 7.361 6.422 5.576 4.808 4.107 3.465 2.877 2.338 1.394 1.226 1.064 0.908 0.758 0.614 0.476 0.344 0.218 0.098 -0.015 -0.123 -0.224 -0.319 -0.408 -0.489 -0.564 -0.632 -0.693 -0.747 -0.793 18.667 16.458 14.438 12.668 11.128 9.785 8.606 7.564 6.637 5.804 5.051 4.367 3.741 3.167 2.641 1.711 1.543 1.380 1.222 1.069 0.921 0.777 0.638 0.503 0.371 0.244 0.120 0.000 -0.117 -0.230 -0.340 -0.446 -0.550 -0.650 -0.747 -0.841 18.678 16.546 14.556 12.802 11.272 9.936 8.765 7.731 6.813 5.992 5.252 4.581 3.970 3.411 2.898 1.991 1.826 1.667 1.512 1.362 1.216 1.074 0.936 0.801 0.670 0.542 0.418 0.296 0.177 0.061 -0.053 -0.165 -0.275 -0.382 -0.488 -0.591 18.643 16.594 14.639 12.903 11.385 10.058 8.894 7.868 6.959 6.147 5.419 4.760 4.162 3.616 3.116 2.233 2.073 1.918 1.767 1.621 1.479 1.341 1.206 1.075 0.947 0.823 0.701 0.582 0.465 0.351 0.239 0.129 0.021 -0.085 -0.190 -0.293 18.570 16.610 14.693 12.978 11.472 10.155 8.999 7.981 7.080 6.277 5.558 4.911 4.324 3.790 3.302 2.443 2.287 2.136 1.990 1.848 1.710 1.576 1.445 1.318 1.195 1.074 0.956 0.841 0.728 0.618 0.509 0.403 0.298 0.196 0.094 -0.006 18.465 16.598 14.722 13.029 11.538 10.231 9.084 8.074 7.180 6.386 5.676 5.038 4.461 3.938 3.461 2.624 2.472 2.326 2.184 2.046 1.912 1.782 1.656 1.533 1.413 1.296 1.182 1.071 0.962 0.856 0.751 0.649 0.549 0.450 0.352 0.257 18.332 16.564 14.730 13.061 11.585 10.290 9.152 8.150 7.264 6.477 5.775 5.145 4.578 4.065 3.598 2.781 2.633 2.490 2.352 2.218 2.088 1.962 1.840 1.721 1.605 1.492 1.382 1.274 1.169 1.067 0.966 0.868 0.771 0.676 0.583 0.491 99999.999 16.510 14.720 13.076 11.617 10.333 9.205 8.211 7.332 6.552 5.858 5.236 4.678 4.173 3.715 2.916 2.773 2.634 2.499 2.369 2.242 2.120 2.001 1.885 1.773 1.664 1.557 1.453 1.352 1.253 1.156 1.061 0.968 0.876 0.786 0.698 carpholite-Mg MgAl2Si2O10H4 P-T:All Wt.(g/mol) = 298.470 V(cc/mol) = 105.900 D(g/cc) = 2.818 Ref: H&P2011 5 1.000 10 2.000 8 2.000 7 2.000 2 -8.000 1 21.147 17.304 13.943 11.038 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.147 17.304 13.943 11.038 8.513 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.148 17.306 13.945 11.040 8.515 6.293 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.151 17.309 13.949 11.044 8.518 6.296 4.313 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.156 17.315 13.954 11.050 8.524 6.302 4.320 2.522 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.164 17.324 13.964 11.059 8.533 6.312 4.330 2.533 0.879 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.176 17.337 13.977 11.073 8.548 6.327 4.345 2.550 0.897 -0.656 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.193 17.356 13.997 11.093 8.568 6.348 4.367 2.573 0.922 -0.628 -2.124 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.216 17.382 14.023 11.120 8.595 6.376 4.397 2.605 0.957 -0.588 -2.078 -3.555 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.245 17.416 14.058 11.155 8.631 6.413 4.436 2.647 1.003 -0.537 -2.017 -3.480 -4.942 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.283 17.459 14.103 11.201 8.678 6.461 4.487 2.701 1.062 -0.470 -1.938 -3.384 -4.829 -6.194 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.329 17.513 14.160 11.258 8.737 6.522 4.550 2.770 1.137 -0.387 -1.840 -3.262 -4.679 -6.077 -7.035 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.363 17.553 14.202 11.302 8.781 6.568 4.599 2.821 1.193 -0.324 -1.766 -3.170 -4.564 -5.956 -7.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.410 17.609 14.261 11.362 8.843 6.632 4.666 2.893 1.271 -0.236 -1.663 -3.043 -4.401 -5.764 -7.252 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.454 17.663 14.318 11.421 8.903 6.694 4.731 2.963 1.348 -0.151 -1.564 -2.920 -4.244 -5.565 -7.047 6.496 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.496 17.714 14.373 11.477 8.961 6.754 4.795 3.031 1.421 -0.069 -1.468 -2.803 -4.094 -5.369 -6.790 -2.221 1.637 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.534 17.764 14.426 11.532 9.017 6.813 4.856 3.096 1.492 0.011 -1.377 -2.691 -3.951 -5.181 -6.521 -4.277 -2.841 -0.366 3.205 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.571 17.811 14.477 11.585 9.072 6.869 4.916 3.160 1.562 0.087 -1.289 -2.585 -3.817 -5.003 -6.260 -5.171 -4.495 -3.348 -1.582 0.795 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.604 17.855 14.525 11.636 9.124 6.924 4.973 3.222 1.629 0.161 -1.204 -2.484 -3.690 -4.837 -6.015 -5.652 -5.317 -4.724 -3.791 -2.457 -0.747 1.165 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.636 17.898 14.572 11.685 9.175 6.977 5.029 3.282 1.693 0.233 -1.122 -2.388 -3.572 -4.685 -5.791 -5.933 -5.786 -5.477 -4.960 -4.191 -3.147 -1.854 -0.407 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.665 17.939 14.618 11.732 9.225 7.028 5.083 3.340 1.756 0.303 -1.044 -2.296 -3.461 -4.545 -5.591 -6.103 -6.072 -5.929 -5.648 -5.200 -4.560 -3.723 -2.710 -1.580 -0.413 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.691 17.978 14.661 11.778 9.272 7.078 5.136 3.396 1.818 0.370 -0.968 -2.209 -3.359 -4.418 -5.415 -6.204 -6.250 -6.214 -6.080 -5.828 -5.440 -4.905 -4.222 -3.408 -2.500 -1.547 -0.595 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.716 18.015 14.703 11.822 9.319 7.126 5.187 3.451 1.877 0.435 -0.896 -2.127 -3.263 -4.303 -5.263 -6.260 -6.360 -6.398 -6.361 -6.237 -6.014 -5.680 -5.229 -4.663 -3.997 -3.252 -2.460 -1.648 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.738 18.050 14.743 11.865 9.363 7.173 5.237 3.504 1.934 0.498 -0.826 -2.048 -3.174 -4.200 -5.132 -6.285 -6.425 -6.514 -6.546 -6.511 -6.400 -6.204 -5.916 -5.535 -5.061 -4.507 -3.885 -3.216 -2.517 -1.802 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.759 18.084 14.782 11.906 9.407 7.219 5.285 3.555 1.990 0.559 -0.758 -1.974 -3.090 -4.106 -5.020 -6.288 -6.457 -6.586 -6.667 -6.696 -6.664 -6.566 -6.396 -6.149 -5.824 -5.425 -4.957 -4.431 -3.858 -3.251 -2.616 99999.999 99999.999 99999.999 99999.999 99999.999 21.777 18.116 14.819 11.946 9.448 7.263 5.331 3.605 2.045 0.619 -0.693 -1.902 -3.012 -4.022 -4.925 -6.275 -6.467 -6.625 -6.744 -6.819 -6.847 -6.820 -6.736 -6.589 -6.377 -6.100 -5.760 -5.361 -4.910 -4.415 -3.882 -3.317 -2.723 99999.999 99999.999 99999.999 21.794 18.146 14.855 11.985 9.489 7.305 5.377 3.654 2.097 0.676 -0.630 -1.834 -2.939 -3.944 -4.843 -6.251 -6.460 -6.641 -6.788 -6.899 -6.971 -6.999 -6.979 -6.907 -6.781 -6.600 -6.362 -6.071 -5.728 -5.338 -4.905 -4.435 -3.930 -3.392 99999.999 99999.999 21.808 18.174 14.889 12.022 9.528 7.347 5.421 3.701 2.149 0.732 -0.569 -1.768 -2.869 -3.871 -4.771 -6.217 -6.441 -6.639 -6.809 -6.948 -7.053 -7.122 -7.151 -7.138 -7.079 -6.972 -6.817 -6.613 -6.361 -6.064 -5.725 -5.345 -4.927 -4.475 -3.987 -3.466 21.821 18.201 14.921 12.058 9.566 7.387 5.463 3.747 2.199 0.787 -0.510 -1.704 -2.801 -3.802 -4.704 -6.177 -6.412 -6.624 -6.812 -6.973 -7.105 -7.206 -7.273 -7.305 -7.298 -7.250 -7.161 -7.028 -6.853 -6.635 -6.377 -6.079 -5.743 -5.372 -4.966 -4.525 21.857 18.394 15.179 12.350 9.883 7.726 5.827 4.141 2.627 1.257 0.004 -1.146 -2.204 -3.179 -4.072 -5.631 -5.908 -6.174 -6.428 -6.671 -6.903 -7.124 -7.333 -7.531 -7.717 -7.891 -8.053 -8.202 -8.338 -8.460 -8.569 -8.664 -8.744 -8.809 -8.859 -8.894 21.753 18.469 15.330 12.543 10.105 7.972 6.097 4.436 2.953 1.617 0.403 -0.708 -1.729 -2.669 -3.535 -5.068 -5.346 -5.615 -5.876 -6.129 -6.374 -6.611 -6.841 -7.065 -7.281 -7.491 -7.695 -7.893 -8.084 -8.270 -8.450 -8.624 -8.793 -8.956 -9.114 -9.266 21.539 18.449 15.396 12.657 10.252 8.145 6.294 4.657 3.201 1.894 0.713 -0.363 -1.349 -2.255 -3.089 -4.573 -4.843 -5.106 -5.360 -5.608 -5.849 -6.084 -6.313 -6.536 -6.754 -6.967 -7.175 -7.379 -7.578 -7.774 -7.966 -8.155 -8.341 -8.523 -8.704 -8.882 21.235 18.354 15.393 12.708 10.338 8.259 6.431 4.818 3.386 2.106 0.953 -0.092 -1.045 -1.919 -2.723 -4.151 -4.412 -4.665 -4.910 -5.150 -5.382 -5.609 -5.831 -6.047 -6.258 -6.465 -6.667 -6.866 -7.061 -7.253 -7.442 -7.628 -7.812 -7.994 -8.174 -8.352 20.860 18.196 15.334 12.705 10.374 8.324 6.521 4.931 3.522 2.266 1.139 0.121 -0.804 -1.648 -2.424 -3.797 -4.047 -4.290 -4.526 -4.755 -4.979 -5.196 -5.408 -5.616 -5.818 -6.016 -6.210 -6.401 -6.588 -6.772 -6.953 -7.132 -7.309 -7.483 -7.656 -7.827 20.424 17.987 15.227 12.658 10.368 8.348 6.571 5.004 3.617 2.383 1.279 0.286 -0.613 -1.431 -2.179 -3.500 -3.741 -3.973 -4.200 -4.420 -4.633 -4.842 -5.045 -5.243 -5.436 -5.625 -5.811 -5.992 -6.170 -6.346 -6.518 -6.688 -6.856 -7.022 -7.186 -7.348 19.938 17.734 15.080 12.574 10.326 8.338 6.587 5.043 3.677 2.464 1.382 0.412 -0.464 -1.257 -1.981 -3.254 -3.484 -3.708 -3.925 -4.136 -4.341 -4.540 -4.734 -4.923 -5.108 -5.288 -5.465 -5.638 -5.807 -5.974 -6.137 -6.299 -6.458 -6.615 -6.770 -6.924 99999.999 17.445 14.899 12.457 10.253 8.298 6.574 5.053 3.708 2.516 1.454 0.504 -0.350 -1.121 -1.823 -3.050 -3.272 -3.487 -3.695 -3.897 -4.093 -4.284 -4.470 -4.651 -4.827 -4.999 -5.168 -5.332 -5.494 -5.652 -5.808 -5.961 -6.112 -6.261 -6.408 -6.554 carpholite-Fe FeAl2Si2O10H4 P-T:All Wt.(g/mol) = 330.070 V(cc/mol) = 106.950 D(g/cc) = 3.086 Ref: H&P2011 5 1.000 11 2.000 8 2.000 7 2.000 2 -8.000 1 18.576 14.964 11.791 9.041 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.576 14.964 11.791 9.041 6.642 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.578 14.965 11.793 9.042 6.644 4.528 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.581 14.969 11.796 9.046 6.648 4.532 2.638 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.586 14.975 11.802 9.052 6.654 4.538 2.644 0.922 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.594 14.984 11.812 9.061 6.663 4.548 2.655 0.933 -0.659 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.606 14.997 11.826 9.076 6.678 4.563 2.670 0.949 -0.641 -2.140 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.623 15.017 11.846 9.096 6.698 4.584 2.692 0.973 -0.615 -2.111 -3.561 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.647 15.043 11.873 9.123 6.726 4.613 2.722 1.005 -0.580 -2.072 -3.515 -4.952 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.677 15.077 11.909 9.160 6.763 4.651 2.762 1.048 -0.533 -2.020 -3.454 -4.877 -6.306 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.715 15.122 11.954 9.206 6.811 4.700 2.813 1.102 -0.474 -1.953 -3.375 -4.781 -6.192 -7.533 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.763 15.177 12.012 9.265 6.870 4.761 2.878 1.171 -0.399 -1.869 -3.277 -4.660 -6.043 -7.414 -8.367 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.798 15.218 12.055 9.309 6.916 4.808 2.927 1.223 -0.342 -1.806 -3.203 -4.568 -5.928 -7.293 -8.619 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.846 15.276 12.116 9.371 6.979 4.873 2.995 1.296 -0.263 -1.717 -3.099 -4.440 -5.766 -7.101 -8.567 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.891 15.331 12.174 9.431 7.040 4.936 3.062 1.367 -0.186 -1.632 -3.000 -4.318 -5.609 -6.903 -8.360 4.818 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.933 15.384 12.230 9.489 7.099 4.998 3.126 1.436 -0.112 -1.549 -2.904 -4.201 -5.459 -6.708 -8.104 -3.664 0.086 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.973 15.434 12.285 9.545 7.157 5.057 3.188 1.502 -0.040 -1.469 -2.812 -4.089 -5.317 -6.520 -7.837 -5.662 -4.270 -1.867 1.597 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.010 15.482 12.337 9.599 7.212 5.115 3.249 1.567 0.030 -1.392 -2.724 -3.983 -5.183 -6.343 -7.578 -6.530 -5.877 -4.766 -3.054 -0.751 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.045 15.528 12.387 9.651 7.266 5.170 3.307 1.629 0.097 -1.318 -2.639 -3.882 -5.057 -6.179 -7.335 -6.995 -6.674 -6.102 -5.200 -3.908 -2.253 -0.406 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.077 15.572 12.435 9.701 7.318 5.225 3.364 1.690 0.163 -1.245 -2.557 -3.785 -4.939 -6.026 -7.112 -7.265 -7.128 -6.832 -6.334 -5.593 -4.583 -3.333 -1.937 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.107 15.615 12.482 9.750 7.369 5.277 3.419 1.749 0.227 -1.175 -2.478 -3.694 -4.828 -5.887 -6.914 -7.428 -7.402 -7.269 -7.001 -6.570 -5.955 -5.147 -4.170 -3.080 -1.957 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.135 15.655 12.526 9.797 7.418 5.328 3.473 1.806 0.289 -1.107 -2.402 -3.607 -4.726 -5.761 -6.739 -7.523 -7.573 -7.543 -7.418 -7.178 -6.807 -6.293 -5.636 -4.853 -3.979 -3.062 -2.149 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.160 15.693 12.569 9.842 7.465 5.377 3.525 1.861 0.349 -1.042 -2.329 -3.524 -4.630 -5.646 -6.587 -7.575 -7.677 -7.719 -7.688 -7.574 -7.362 -7.044 -6.612 -6.069 -5.429 -4.714 -3.953 -3.174 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.184 15.729 12.611 9.886 7.511 5.425 3.575 1.915 0.407 -0.978 -2.259 -3.445 -4.541 -5.543 -6.456 -7.596 -7.737 -7.829 -7.865 -7.837 -7.735 -7.550 -7.277 -6.913 -6.460 -5.928 -5.333 -4.691 -4.022 -3.337 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.205 15.764 12.651 9.929 7.555 5.471 3.624 1.967 0.463 -0.916 -2.191 -3.370 -4.457 -5.449 -6.345 -7.597 -7.766 -7.896 -7.980 -8.014 -7.989 -7.900 -7.741 -7.507 -7.198 -6.817 -6.370 -5.867 -5.319 -4.737 -4.130 99999.999 99999.999 99999.999 99999.999 99999.999 19.225 15.797 12.689 9.970 7.598 5.517 3.672 2.018 0.518 -0.856 -2.125 -3.298 -4.379 -5.364 -6.250 -7.582 -7.773 -7.931 -8.052 -8.131 -8.164 -8.144 -8.068 -7.932 -7.733 -7.470 -7.147 -6.766 -6.336 -5.863 -5.354 -4.813 -4.245 99999.999 99999.999 99999.999 19.242 15.828 12.726 10.009 7.640 5.560 3.718 2.068 0.572 -0.798 -2.062 -3.230 -4.305 -5.286 -6.168 -7.555 -7.764 -7.944 -8.093 -8.206 -8.282 -8.315 -8.301 -8.238 -8.123 -7.953 -7.729 -7.453 -7.127 -6.756 -6.344 -5.895 -5.412 -4.897 99999.999 99999.999 19.257 15.858 12.761 10.048 7.680 5.603 3.763 2.116 0.624 -0.742 -2.000 -3.163 -4.235 -5.214 -6.095 -7.520 -7.742 -7.940 -8.110 -8.251 -8.359 -8.432 -8.466 -8.460 -8.409 -8.312 -8.168 -7.977 -7.740 -7.458 -7.136 -6.774 -6.377 -5.944 -5.479 -4.980 19.271 15.886 12.795 10.085 7.719 5.644 3.806 2.162 0.674 -0.687 -1.941 -3.099 -4.167 -5.144 -6.027 -7.479 -7.712 -7.923 -8.110 -8.272 -8.406 -8.510 -8.582 -8.619 -8.619 -8.579 -8.499 -8.377 -8.214 -8.010 -7.766 -7.484 -7.166 -6.812 -6.425 -6.005 19.315 16.090 13.063 10.388 8.046 5.993 4.179 2.563 1.110 -0.211 -1.422 -2.537 -3.567 -4.518 -5.392 -6.926 -7.199 -7.462 -7.714 -7.956 -8.186 -8.406 -8.615 -8.814 -9.000 -9.176 -9.340 -9.491 -9.630 -9.756 -9.869 -9.968 -10.052 -10.123 -10.179 -10.220 19.218 16.174 13.224 10.591 8.278 6.247 4.457 2.867 1.442 0.154 -1.019 -2.096 -3.088 -4.005 -4.853 -6.360 -6.635 -6.901 -7.159 -7.409 -7.652 -7.889 -8.118 -8.340 -8.557 -8.767 -8.971 -9.169 -9.362 -9.549 -9.730 -9.906 -10.077 -10.242 -10.403 -10.558 19.010 16.163 13.300 10.714 8.433 6.428 4.661 3.094 1.696 0.437 -0.704 -1.747 -2.705 -3.589 -4.405 -5.864 -6.130 -6.390 -6.642 -6.888 -7.127 -7.360 -7.588 -7.810 -8.027 -8.239 -8.448 -8.651 -8.852 -9.048 -9.241 -9.431 -9.618 -9.803 -9.985 -10.164 18.712 16.076 13.306 10.774 8.528 6.550 4.806 3.262 1.887 0.655 -0.459 -1.472 -2.398 -3.251 -4.037 -5.441 -5.698 -5.948 -6.191 -6.428 -6.659 -6.884 -7.105 -7.320 -7.530 -7.737 -7.939 -8.138 -8.334 -8.526 -8.716 -8.903 -9.089 -9.272 -9.453 -9.633 18.341 15.926 13.255 10.779 8.572 6.623 4.903 3.382 2.029 0.820 -0.269 -1.255 -2.153 -2.977 -3.735 -5.085 -5.332 -5.572 -5.806 -6.033 -6.255 -6.471 -6.682 -6.889 -7.091 -7.289 -7.483 -7.673 -7.861 -8.046 -8.228 -8.408 -8.585 -8.761 -8.936 -9.109 17.910 15.723 13.156 10.741 8.573 6.655 4.960 3.461 2.130 0.942 -0.124 -1.085 -1.959 -2.756 -3.488 -4.787 -5.024 -5.255 -5.479 -5.697 -5.909 -6.116 -6.318 -6.516 -6.709 -6.898 -7.083 -7.265 -7.444 -7.620 -7.793 -7.964 -8.133 -8.301 -8.467 -8.631 17.428 15.477 13.017 10.664 8.539 6.652 4.983 3.506 2.196 1.029 -0.016 -0.956 -1.806 -2.580 -3.288 -4.539 -4.767 -4.988 -5.203 -5.412 -5.615 -5.813 -6.007 -6.195 -6.380 -6.560 -6.737 -6.911 -7.081 -7.248 -7.413 -7.576 -7.736 -7.895 -8.052 -8.208 99999.999 15.195 12.844 10.554 8.473 6.619 4.976 3.523 2.233 1.086 0.061 -0.859 -1.688 -2.440 -3.126 -4.333 -4.553 -4.765 -4.971 -5.172 -5.367 -5.557 -5.742 -5.922 -6.099 -6.271 -6.440 -6.605 -6.768 -6.927 -7.084 -7.239 -7.391 -7.542 -7.691 -7.839 celadonite KMgAlSi4O12H2 P-T:All Wt.(g/mol) = 396.750 V(cc/mol) = 139.570 D(g/cc) = 2.843 Ref: H&P2011 6 -6.000 1 1.000 12 1.000 10 1.000 8 4.000 7 -4.000 2 10.818 9.286 7.790 6.454 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.818 9.286 7.790 6.454 5.281 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.819 9.287 7.792 6.455 5.282 4.250 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.821 9.290 7.795 6.458 5.285 4.253 3.333 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.824 9.294 7.800 6.463 5.291 4.259 3.339 2.504 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.829 9.301 7.807 6.471 5.299 4.267 3.348 2.514 1.742 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.837 9.311 7.819 6.483 5.311 4.280 3.362 2.529 1.758 1.024 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.847 9.326 7.835 6.500 5.329 4.299 3.381 2.550 1.781 1.049 0.325 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.861 9.345 7.856 6.523 5.353 4.324 3.407 2.578 1.812 1.084 0.365 -0.377 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.879 9.371 7.885 6.553 5.384 4.356 3.442 2.615 1.852 1.130 0.418 -0.313 -1.082 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.900 9.403 7.921 6.591 5.424 4.398 3.487 2.663 1.904 1.188 0.486 -0.230 -0.982 -1.747 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.925 9.441 7.965 6.639 5.474 4.450 3.542 2.723 1.969 1.260 0.570 -0.127 -0.855 -1.621 -2.245 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.941 9.469 7.997 6.674 5.511 4.489 3.583 2.767 2.018 1.315 0.634 -0.049 -0.758 -1.510 -2.324 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.962 9.507 8.042 6.722 5.562 4.543 3.641 2.829 2.086 1.391 0.722 0.058 -0.623 -1.344 -2.211 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.980 9.541 8.083 6.767 5.610 4.595 3.696 2.889 2.151 1.463 0.806 0.160 -0.493 -1.180 -2.018 5.539 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.993 9.572 8.121 6.810 5.656 4.644 3.749 2.946 2.213 1.533 0.886 0.257 -0.371 -1.020 -1.804 0.833 2.927 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.003 9.600 8.157 6.850 5.699 4.690 3.799 3.000 2.273 1.600 0.963 0.349 -0.255 -0.869 -1.590 -0.229 0.550 1.884 3.775 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.010 9.625 8.190 6.887 5.740 4.735 3.847 3.052 2.331 1.664 1.037 0.437 -0.145 -0.726 -1.386 -0.657 -0.288 0.331 1.276 2.528 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.013 9.648 8.221 6.923 5.779 4.777 3.892 3.102 2.386 1.725 1.107 0.521 -0.042 -0.594 -1.195 -0.862 -0.675 -0.353 0.148 0.858 1.753 2.729 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.013 9.667 8.249 6.956 5.816 4.817 3.936 3.150 2.439 1.784 1.174 0.600 0.054 -0.471 -1.021 -0.963 -0.874 -0.702 -0.421 -0.010 0.542 1.215 1.953 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.010 9.684 8.275 6.987 5.851 4.855 3.978 3.196 2.489 1.841 1.239 0.675 0.144 -0.359 -0.865 -1.006 -0.977 -0.891 -0.734 -0.492 -0.151 0.289 0.815 1.391 1.971 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.003 9.699 8.298 7.015 5.883 4.891 4.017 3.240 2.538 1.895 1.300 0.746 0.228 -0.256 -0.725 -1.015 -1.025 -0.994 -0.913 -0.772 -0.562 -0.277 0.081 0.502 0.964 1.441 1.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.994 9.710 8.319 7.042 5.914 4.925 4.055 3.282 2.584 1.947 1.359 0.813 0.307 -0.162 -0.603 -1.001 -1.038 -1.044 -1.012 -0.937 -0.812 -0.631 -0.391 -0.095 0.249 0.629 1.028 1.430 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.982 9.720 8.338 7.067 5.942 4.957 4.091 3.321 2.629 1.997 1.415 0.877 0.380 -0.076 -0.495 -0.974 -1.029 -1.061 -1.063 -1.033 -0.965 -0.854 -0.698 -0.495 -0.247 0.041 0.359 0.699 1.050 1.406 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.967 9.727 8.355 7.089 5.969 4.988 4.125 3.360 2.671 2.045 1.469 0.937 0.448 0.002 -0.401 -0.937 -1.006 -1.055 -1.082 -1.084 -1.055 -0.994 -0.897 -0.762 -0.588 -0.378 -0.134 0.137 0.430 0.740 1.062 99999.999 99999.999 99999.999 99999.999 99999.999 10.950 9.732 8.370 7.110 5.994 5.016 4.158 3.396 2.712 2.091 1.520 0.995 0.512 0.074 -0.319 -0.893 -0.972 -1.035 -1.080 -1.104 -1.105 -1.079 -1.025 -0.940 -0.823 -0.673 -0.493 -0.283 -0.048 0.208 0.484 0.776 1.084 99999.999 99999.999 99999.999 10.930 9.734 8.383 7.129 6.017 5.043 4.188 3.431 2.751 2.134 1.569 1.050 0.573 0.140 -0.247 -0.844 -0.931 -1.004 -1.062 -1.103 -1.125 -1.126 -1.104 -1.056 -0.982 -0.880 -0.750 -0.594 -0.411 -0.206 0.021 0.269 0.534 0.819 99999.999 99999.999 10.907 9.735 8.394 7.146 6.039 5.069 4.217 3.464 2.789 2.177 1.617 1.102 0.630 0.202 -0.182 -0.792 -0.885 -0.966 -1.034 -1.088 -1.126 -1.146 -1.148 -1.128 -1.087 -1.022 -0.933 -0.820 -0.683 -0.523 -0.341 -0.138 0.085 0.328 0.590 0.873 10.882 9.733 8.403 7.161 6.059 5.092 4.245 3.495 2.824 2.217 1.662 1.153 0.685 0.261 -0.121 -0.739 -0.836 -0.922 -0.998 -1.061 -1.112 -1.147 -1.167 -1.169 -1.153 -1.117 -1.060 -0.982 -0.883 -0.762 -0.620 -0.458 -0.275 -0.073 0.149 0.391 10.507 9.610 8.397 7.226 6.174 5.250 4.441 3.730 3.101 2.538 2.029 1.567 1.144 0.759 0.409 -0.194 -0.300 -0.401 -0.498 -0.590 -0.678 -0.761 -0.840 -0.913 -0.982 -1.046 -1.105 -1.158 -1.206 -1.247 -1.282 -1.311 -1.332 -1.347 -1.353 -1.352 9.942 9.325 8.247 7.157 6.163 5.285 4.517 3.846 3.256 2.734 2.267 1.847 1.467 1.122 0.809 0.267 0.171 0.078 -0.012 -0.099 -0.183 -0.264 -0.342 -0.418 -0.492 -0.563 -0.632 -0.699 -0.764 -0.827 -0.888 -0.946 -1.003 -1.058 -1.111 -1.162 9.225 8.911 7.980 6.981 6.051 5.224 4.499 3.867 3.316 2.832 2.405 2.024 1.683 1.377 1.101 0.627 0.542 0.461 0.383 0.307 0.234 0.163 0.094 0.027 -0.038 -0.101 -0.164 -0.225 -0.285 -0.343 -0.401 -0.459 -0.515 -0.571 -0.627 -0.682 8.385 8.390 7.617 6.716 5.856 5.083 4.404 3.813 3.299 2.853 2.462 2.119 1.815 1.545 1.304 0.896 0.825 0.756 0.690 0.626 0.565 0.506 0.448 0.393 0.338 0.286 0.234 0.183 0.133 0.084 0.036 -0.013 -0.061 -0.109 -0.156 -0.204 7.444 7.781 7.174 6.377 5.591 4.875 4.244 3.695 3.220 2.810 2.455 2.147 1.878 1.642 1.435 1.090 1.031 0.975 0.920 0.869 0.819 0.771 0.725 0.681 0.638 0.596 0.556 0.516 0.477 0.439 0.401 0.363 0.326 0.288 0.251 0.213 6.417 7.098 6.664 5.975 5.267 4.612 4.030 3.524 3.087 2.713 2.393 2.118 1.882 1.679 1.504 1.221 1.173 1.128 1.085 1.045 1.007 0.970 0.935 0.902 0.869 0.839 0.809 0.780 0.751 0.723 0.696 0.669 0.642 0.615 0.588 0.560 5.317 6.351 6.095 5.520 4.892 4.300 3.769 3.307 2.910 2.571 2.285 2.043 1.839 1.667 1.522 1.297 1.260 1.226 1.194 1.165 1.137 1.111 1.087 1.063 1.042 1.021 1.001 0.982 0.964 0.946 0.928 0.911 0.894 0.877 0.860 0.842 99999.999 5.549 5.476 5.017 4.474 3.946 3.468 3.051 2.693 2.391 2.137 1.927 1.754 1.611 1.495 1.326 1.300 1.277 1.255 1.236 1.218 1.202 1.188 1.175 1.162 1.151 1.141 1.132 1.123 1.114 1.106 1.098 1.090 1.082 1.074 1.065 celadonite-Fe KFeAlSi4O12H2 P-T:All Wt.(g/mol) = 428.280 V(cc/mol) = 140.700 D(g/cc) = 3.044 Ref: H&P2011 6 -6.000 1 1.000 12 1.000 11 1.000 8 4.000 7 -4.000 2 8.993 7.583 6.185 4.926 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.994 7.583 6.185 4.926 3.814 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.995 7.584 6.186 4.927 3.816 2.833 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.997 7.587 6.189 4.930 3.819 2.836 1.955 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.000 7.591 6.194 4.935 3.825 2.842 1.961 1.159 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.005 7.598 6.202 4.944 3.833 2.851 1.971 1.169 0.422 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.013 7.609 6.214 4.956 3.846 2.864 1.985 1.183 0.438 -0.276 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.024 7.624 6.230 4.973 3.864 2.882 2.004 1.204 0.461 -0.250 -0.958 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.038 7.644 6.253 4.997 3.888 2.908 2.031 1.233 0.492 -0.215 -0.918 -1.647 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.057 7.670 6.282 5.028 3.920 2.941 2.066 1.271 0.533 -0.170 -0.865 -1.582 -2.342 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.079 7.703 6.319 5.067 3.961 2.984 2.112 1.319 0.586 -0.111 -0.797 -1.500 -2.242 -3.004 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.104 7.743 6.364 5.115 4.012 3.037 2.168 1.380 0.651 -0.038 -0.712 -1.397 -2.115 -2.876 -3.514 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.122 7.772 6.398 5.151 4.050 3.077 2.210 1.425 0.701 0.017 -0.648 -1.319 -2.018 -2.764 -3.581 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.144 7.811 6.443 5.200 4.102 3.132 2.269 1.488 0.769 0.093 -0.560 -1.212 -1.883 -2.599 -3.462 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.163 7.847 6.486 5.247 4.151 3.185 2.325 1.548 0.835 0.166 -0.476 -1.110 -1.755 -2.435 -3.269 3.890 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.177 7.879 6.526 5.291 4.198 3.235 2.378 1.606 0.898 0.237 -0.395 -1.013 -1.632 -2.276 -3.056 -0.581 1.399 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.188 7.909 6.563 5.333 4.243 3.283 2.429 1.661 0.959 0.304 -0.318 -0.921 -1.517 -2.126 -2.843 -1.585 -0.855 0.401 2.179 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.196 7.935 6.598 5.372 4.286 3.328 2.478 1.714 1.017 0.369 -0.244 -0.833 -1.408 -1.984 -2.641 -1.987 -1.646 -1.069 -0.184 0.989 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.200 7.959 6.630 5.408 4.326 3.371 2.525 1.765 1.072 0.431 -0.173 -0.749 -1.305 -1.853 -2.452 -2.176 -2.009 -1.713 -1.249 -0.588 0.248 1.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.201 7.980 6.659 5.443 4.364 3.413 2.570 1.814 1.126 0.490 -0.106 -0.670 -1.209 -1.731 -2.279 -2.266 -2.193 -2.039 -1.784 -1.405 -0.894 -0.269 0.414 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.199 7.998 6.686 5.475 4.399 3.452 2.612 1.861 1.177 0.547 -0.041 -0.595 -1.119 -1.619 -2.124 -2.302 -2.285 -2.214 -2.075 -1.856 -1.544 -1.139 -0.654 -0.124 0.408 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.194 8.014 6.711 5.505 4.433 3.489 2.653 1.905 1.226 0.602 0.021 -0.524 -1.035 -1.516 -1.986 -2.305 -2.324 -2.305 -2.239 -2.116 -1.928 -1.670 -1.342 -0.956 -0.533 -0.097 0.326 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.186 8.027 6.733 5.533 4.465 3.524 2.692 1.948 1.274 0.655 0.080 -0.456 -0.956 -1.422 -1.863 -2.287 -2.332 -2.347 -2.328 -2.267 -2.159 -1.999 -1.783 -1.515 -1.201 -0.855 -0.492 -0.127 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.175 8.038 6.754 5.558 4.495 3.557 2.729 1.989 1.319 0.705 0.137 -0.392 -0.883 -1.336 -1.756 -2.256 -2.318 -2.358 -2.371 -2.353 -2.299 -2.205 -2.068 -1.886 -1.663 -1.403 -1.115 -0.807 -0.489 -0.167 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.161 8.046 6.772 5.582 4.523 3.589 2.764 2.028 1.362 0.753 0.191 -0.331 -0.814 -1.258 -1.663 -2.216 -2.291 -2.348 -2.384 -2.395 -2.379 -2.332 -2.251 -2.134 -1.980 -1.793 -1.574 -1.330 -1.065 -0.785 -0.494 99999.999 99999.999 99999.999 99999.999 99999.999 9.145 8.052 6.788 5.604 4.549 3.619 2.797 2.065 1.404 0.800 0.243 -0.273 -0.750 -1.186 -1.581 -2.169 -2.254 -2.324 -2.376 -2.409 -2.420 -2.407 -2.366 -2.296 -2.196 -2.066 -1.906 -1.720 -1.510 -1.279 -1.031 -0.767 -0.488 99999.999 99999.999 99999.999 9.126 8.056 6.802 5.624 4.573 3.647 2.829 2.100 1.444 0.844 0.292 -0.218 -0.689 -1.120 -1.508 -2.119 -2.211 -2.290 -2.355 -2.404 -2.435 -2.446 -2.435 -2.400 -2.341 -2.255 -2.144 -2.007 -1.846 -1.663 -1.459 -1.237 -0.998 -0.740 99999.999 99999.999 9.104 8.057 6.814 5.642 4.596 3.673 2.859 2.134 1.482 0.887 0.340 -0.165 -0.631 -1.058 -1.442 -2.066 -2.163 -2.249 -2.323 -2.384 -2.430 -2.460 -2.471 -2.463 -2.435 -2.384 -2.311 -2.214 -2.096 -1.955 -1.794 -1.614 -1.414 -1.195 -0.958 -0.701 9.080 8.057 6.824 5.659 4.617 3.698 2.887 2.166 1.518 0.928 0.386 -0.114 -0.576 -0.998 -1.381 -2.010 -2.112 -2.203 -2.285 -2.354 -2.412 -2.455 -2.484 -2.497 -2.492 -2.468 -2.425 -2.362 -2.279 -2.175 -2.052 -1.909 -1.747 -1.567 -1.367 -1.149 8.713 7.945 6.831 5.736 4.743 3.865 3.092 2.410 1.802 1.255 0.758 0.304 -0.114 -0.497 -0.847 -1.458 -1.567 -1.672 -1.772 -1.868 -1.959 -2.047 -2.130 -2.209 -2.284 -2.354 -2.418 -2.478 -2.533 -2.581 -2.624 -2.661 -2.691 -2.714 -2.730 -2.738 8.156 7.671 6.691 5.677 4.742 3.910 3.177 2.533 1.964 1.457 1.001 0.588 0.212 -0.131 -0.445 -0.995 -1.094 -1.190 -1.282 -1.372 -1.460 -1.544 -1.627 -1.707 -1.785 -1.860 -1.934 -2.006 -2.076 -2.144 -2.210 -2.274 -2.337 -2.398 -2.456 -2.513 7.446 7.266 6.434 5.510 4.639 3.857 3.167 2.562 2.030 1.561 1.144 0.770 0.432 0.127 -0.151 -0.634 -0.720 -0.804 -0.886 -0.964 -1.041 -1.115 -1.188 -1.259 -1.328 -1.396 -1.462 -1.528 -1.592 -1.656 -1.718 -1.780 -1.842 -1.903 -1.964 -2.024 6.612 6.754 6.080 5.255 4.453 3.725 3.080 2.515 2.021 1.588 1.207 0.869 0.568 0.298 0.055 -0.363 -0.437 -0.508 -0.577 -0.644 -0.709 -0.772 -0.833 -0.893 -0.951 -1.008 -1.064 -1.119 -1.173 -1.227 -1.280 -1.333 -1.386 -1.439 -1.491 -1.544 5.676 6.153 5.647 4.925 4.197 3.525 2.928 2.404 1.947 1.550 1.204 0.901 0.634 0.398 0.188 -0.167 -0.229 -0.289 -0.346 -0.401 -0.454 -0.506 -0.556 -0.604 -0.651 -0.697 -0.742 -0.786 -0.830 -0.873 -0.915 -0.958 -1.000 -1.042 -1.085 -1.127 4.655 5.478 5.145 4.532 3.881 3.270 2.721 2.240 1.821 1.460 1.147 0.877 0.643 0.439 0.260 -0.035 -0.085 -0.134 -0.180 -0.224 -0.266 -0.306 -0.345 -0.383 -0.419 -0.455 -0.489 -0.523 -0.556 -0.588 -0.620 -0.652 -0.684 -0.716 -0.748 -0.781 3.559 4.738 4.585 4.085 3.515 2.965 2.468 2.030 1.650 1.324 1.045 0.807 0.603 0.430 0.281 0.043 0.003 -0.034 -0.069 -0.103 -0.134 -0.164 -0.193 -0.220 -0.247 -0.272 -0.296 -0.320 -0.343 -0.366 -0.388 -0.410 -0.433 -0.455 -0.477 -0.500 99999.999 3.943 3.974 3.590 3.104 2.619 2.174 1.780 1.440 1.149 0.902 0.696 0.522 0.378 0.258 0.075 0.046 0.018 -0.007 -0.030 -0.052 -0.072 -0.091 -0.108 -0.125 -0.141 -0.156 -0.170 -0.184 -0.198 -0.211 -0.224 -0.237 -0.250 -0.264 -0.278 chrysotile Mg3Si2O9H4 P-T:All Wt.(g/mol) = 277.130 V(cc/mol) = 107.460 D(g/cc) = 2.579 Ref: H&P2011 4 3.000 10 2.000 7 1.000 2 -6.000 1 36.075 32.284 29.017 26.232 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.075 32.284 29.017 26.232 23.847 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.076 32.285 29.018 26.233 23.849 21.787 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.078 32.287 29.020 26.236 23.851 21.789 19.984 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.081 32.291 29.024 26.240 23.855 21.793 19.989 18.388 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.086 32.297 29.030 26.246 23.861 21.800 19.995 18.395 16.956 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.094 32.306 29.039 26.255 23.870 21.809 20.005 18.406 16.968 15.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.105 32.318 29.052 26.268 23.883 21.823 20.020 18.422 16.985 15.668 14.431 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.120 32.335 29.069 26.285 23.901 21.841 20.039 18.443 17.008 15.695 14.462 13.271 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.139 32.356 29.092 26.308 23.925 21.866 20.065 18.470 17.038 15.729 14.504 13.323 12.161 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.163 32.384 29.120 26.337 23.955 21.897 20.098 18.506 17.077 15.773 14.556 13.388 12.242 11.137 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.192 32.418 29.156 26.374 23.993 21.936 20.139 18.550 17.126 15.828 14.622 13.471 12.346 11.236 10.321 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.213 32.443 29.183 26.402 24.021 21.965 20.170 18.584 17.162 15.870 14.671 13.533 12.426 11.327 10.218 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.241 32.478 29.220 26.440 24.060 22.006 20.214 18.630 17.214 15.928 14.739 13.618 12.537 11.465 10.298 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.267 32.511 29.255 26.476 24.098 22.045 20.255 18.675 17.263 15.983 14.805 13.700 12.643 11.603 10.460 17.353 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.291 32.542 29.289 26.511 24.134 22.083 20.295 18.718 17.310 16.037 14.868 13.778 12.744 11.738 10.644 12.748 14.708 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.312 32.570 29.320 26.544 24.169 22.119 20.334 18.760 17.356 16.088 14.928 13.851 12.839 11.866 10.831 11.666 12.349 13.573 15.321 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.331 32.598 29.350 26.576 24.202 22.154 20.371 18.800 17.400 16.137 14.985 13.922 12.929 11.986 11.010 11.209 11.487 12.015 12.863 14.003 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.349 32.623 29.379 26.606 24.234 22.188 20.407 18.839 17.442 16.185 15.040 13.988 13.013 12.097 11.176 10.975 11.071 11.306 11.721 12.341 13.140 14.009 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.364 32.647 29.406 26.635 24.264 22.220 20.441 18.876 17.483 16.231 15.093 14.051 13.091 12.199 11.326 10.846 10.843 10.928 11.125 11.453 11.921 12.509 13.154 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.377 32.669 29.432 26.663 24.293 22.251 20.474 18.912 17.523 16.275 15.143 14.110 13.164 12.293 11.461 10.776 10.712 10.710 10.783 10.945 11.206 11.568 12.013 12.506 13.000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.388 32.689 29.456 26.689 24.321 22.280 20.506 18.946 17.561 16.317 15.192 14.167 13.232 12.378 11.580 10.742 10.638 10.580 10.576 10.636 10.767 10.976 11.259 11.605 11.991 12.389 12.774 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.398 32.708 29.478 26.714 24.348 22.309 20.536 18.980 17.597 16.358 15.238 14.220 13.295 12.454 11.683 10.730 10.599 10.503 10.448 10.442 10.489 10.594 10.761 10.985 11.259 11.567 11.894 12.222 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.406 32.725 29.500 26.738 24.373 22.336 20.566 19.012 17.633 16.398 15.282 14.271 13.353 12.523 11.771 10.734 10.583 10.460 10.371 10.318 10.307 10.342 10.426 10.559 10.738 10.958 11.209 11.480 11.762 12.049 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.412 32.741 29.520 26.760 24.397 22.362 20.594 19.043 17.667 16.435 15.325 14.319 13.407 12.585 11.847 10.749 10.583 10.441 10.326 10.241 10.189 10.174 10.198 10.263 10.369 10.513 10.692 10.899 11.127 11.372 11.629 99999.999 99999.999 99999.999 99999.999 99999.999 36.416 32.756 29.539 26.782 24.421 22.387 20.621 19.072 17.700 16.472 15.366 14.364 13.458 12.642 11.912 10.772 10.595 10.438 10.304 10.195 10.114 10.062 10.043 10.057 10.106 10.190 10.307 10.453 10.626 10.821 11.036 11.266 11.512 99999.999 99999.999 99999.999 36.419 32.769 29.557 26.802 24.443 22.411 20.647 19.101 17.732 16.507 15.405 14.408 13.506 12.694 11.968 10.800 10.614 10.447 10.299 10.172 10.068 9.989 9.937 9.913 9.919 9.955 10.021 10.116 10.237 10.383 10.552 10.740 10.947 11.173 99999.999 99999.999 36.420 32.781 29.573 26.821 24.464 22.434 20.672 19.128 17.762 16.541 15.443 14.449 13.551 12.742 12.018 10.833 10.640 10.464 10.305 10.164 10.043 9.944 9.867 9.814 9.786 9.785 9.810 9.861 9.938 10.040 10.164 10.311 10.477 10.664 10.870 11.096 36.419 32.792 29.588 26.839 24.484 22.456 20.696 19.155 17.792 16.574 15.479 14.490 13.595 12.787 12.064 10.868 10.670 10.487 10.319 10.168 10.034 9.919 9.823 9.747 9.693 9.662 9.655 9.671 9.710 9.773 9.858 9.965 10.092 10.240 10.408 10.596 36.338 32.834 29.685 26.967 24.635 22.627 20.888 19.370 18.034 16.847 15.785 14.830 13.966 13.185 12.479 11.265 11.052 10.847 10.651 10.463 10.284 10.113 9.950 9.795 9.648 9.509 9.379 9.256 9.142 9.037 8.940 8.853 8.774 8.705 8.645 8.595 36.140 32.778 29.694 27.014 24.709 22.723 21.006 19.510 18.198 17.038 16.005 15.079 14.245 13.492 12.811 11.632 11.423 11.221 11.026 10.838 10.657 10.482 10.314 10.151 9.994 9.841 9.694 9.552 9.415 9.282 9.154 9.030 8.910 8.795 8.683 8.575 35.848 32.644 29.633 26.997 24.722 22.762 21.066 19.591 18.301 17.165 16.158 15.259 14.452 13.726 13.070 11.936 11.734 11.539 11.352 11.170 10.995 10.826 10.662 10.504 10.350 10.201 10.056 9.915 9.778 9.645 9.514 9.387 9.263 9.141 9.022 8.906 35.482 32.447 29.517 26.928 24.687 22.753 21.079 19.626 18.357 17.243 16.259 15.384 14.602 13.901 13.268 12.180 11.987 11.800 11.621 11.447 11.280 11.118 10.962 10.811 10.664 10.521 10.383 10.248 10.117 9.989 9.864 9.742 9.623 9.506 9.390 9.277 35.054 32.198 29.353 26.817 24.611 22.705 21.055 19.623 18.375 17.281 16.318 15.466 14.706 14.028 13.418 12.373 12.188 12.010 11.838 11.673 11.513 11.360 11.211 11.067 10.928 10.793 10.662 10.535 10.411 10.290 10.173 10.058 9.945 9.835 9.727 9.620 34.575 31.906 29.150 26.668 24.502 22.624 20.999 19.589 18.361 17.287 16.344 15.511 14.773 14.115 13.527 12.522 12.345 12.175 12.011 11.854 11.702 11.555 11.414 11.278 11.146 11.019 10.895 10.775 10.659 10.545 10.435 10.327 10.222 10.119 10.018 9.919 34.053 31.578 28.915 26.490 24.363 22.516 20.916 19.528 18.320 17.265 16.341 15.527 14.808 14.170 13.601 12.635 12.465 12.302 12.146 11.996 11.851 11.712 11.578 11.449 11.324 11.203 11.087 10.974 10.864 10.758 10.654 10.553 10.455 10.359 10.265 10.173 99999.999 31.218 28.651 26.284 24.199 22.384 20.810 19.444 18.256 17.220 16.314 15.518 14.817 14.197 13.647 12.716 12.554 12.398 12.248 12.105 11.967 11.834 11.707 11.584 11.466 11.352 11.242 11.135 11.032 10.932 10.835 10.740 10.648 10.559 10.471 10.385 chondrodite Mg5Si2O10H2 P-T:All Wt.(g/mol) = 339.706 V(cc/mol) = 110.840 D(g/cc) = 3.065 Ref: H&P2011 4 2.000 2 5.000 10 2.000 7 -10.000 1 85.199 76.227 68.571 62.035 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.199 76.227 68.571 62.035 56.406 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.201 76.229 68.573 62.037 56.408 51.511 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.204 76.232 68.577 62.040 56.412 51.514 47.204 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.210 76.238 68.583 62.046 56.418 51.520 47.211 43.373 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.219 76.247 68.592 62.055 56.427 51.530 47.221 43.384 39.927 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.232 76.261 68.605 62.069 56.441 51.545 47.236 43.401 39.945 36.788 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.251 76.280 68.625 62.089 56.461 51.565 47.258 43.424 39.971 36.818 33.881 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.276 76.307 68.652 62.115 56.488 51.593 47.287 43.456 40.007 36.858 33.929 31.145 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.310 76.341 68.687 62.150 56.524 51.630 47.326 43.498 40.054 36.911 33.993 31.225 28.559 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.352 76.386 68.731 62.195 56.569 51.677 47.377 43.553 40.114 36.980 34.075 31.329 28.686 26.183 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.404 76.441 68.787 62.252 56.627 51.737 47.440 43.621 40.189 37.066 34.178 31.458 28.851 26.334 24.226 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.442 76.483 68.830 62.294 56.670 51.782 47.487 43.672 40.246 37.130 34.255 31.556 28.977 26.476 24.031 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.495 76.540 68.888 62.354 56.731 51.845 47.554 43.744 40.325 37.220 34.363 31.691 29.153 26.694 24.142 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.545 76.595 68.944 62.411 56.789 51.906 47.618 43.814 40.402 37.307 34.466 31.821 29.322 26.915 24.395 35.061 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.591 76.647 68.998 62.466 56.846 51.964 47.681 43.881 40.476 37.391 34.564 31.944 29.483 27.130 24.689 27.188 30.345 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.635 76.696 69.050 62.519 56.900 52.021 47.741 43.946 40.547 37.471 34.659 32.061 29.636 27.335 24.989 25.327 26.301 28.207 31.024 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.675 76.744 69.100 62.570 56.953 52.076 47.799 44.009 40.616 37.549 34.750 32.173 29.779 27.527 25.276 24.532 24.814 25.530 26.799 28.579 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.713 76.789 69.147 62.619 57.004 52.129 47.855 44.070 40.683 37.625 34.837 32.278 29.913 27.706 25.544 24.118 24.089 24.303 24.830 25.715 26.916 28.249 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.749 76.832 69.193 62.666 57.052 52.180 47.910 44.129 40.748 37.697 34.921 32.379 30.038 27.870 25.787 23.886 23.686 23.643 23.796 24.181 24.812 25.653 26.603 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.781 76.872 69.237 62.712 57.100 52.230 47.962 44.186 40.811 37.767 35.001 32.474 30.155 28.020 26.005 23.754 23.450 23.257 23.197 23.296 23.572 24.024 24.626 25.317 26.017 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.812 76.911 69.278 62.755 57.145 52.277 48.013 44.241 40.871 37.835 35.078 32.564 30.264 28.156 26.196 23.684 23.311 23.022 22.831 22.754 22.806 22.995 23.318 23.753 24.263 24.800 25.320 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.839 76.948 69.318 62.797 57.189 52.324 48.063 44.294 40.930 37.900 35.153 32.649 30.364 28.279 26.362 23.655 23.233 22.879 22.601 22.409 22.316 22.327 22.449 22.674 22.989 23.368 23.783 24.207 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.865 76.982 69.357 62.838 57.231 52.368 48.110 44.346 40.987 37.964 35.224 32.730 30.458 28.390 26.504 23.652 23.196 22.795 22.456 22.186 21.993 21.883 21.861 21.928 22.080 22.305 22.588 22.911 23.256 23.613 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.888 77.015 69.393 62.877 57.272 52.411 48.156 44.396 41.042 38.025 35.292 32.807 30.545 28.490 26.626 23.669 23.187 22.753 22.370 22.043 21.779 21.582 21.458 21.408 21.432 21.526 21.684 21.894 22.146 22.429 22.735 99999.999 99999.999 99999.999 99999.999 99999.999 85.909 77.046 69.428 62.914 57.312 52.453 48.201 44.445 41.095 38.084 35.358 32.881 30.627 28.580 26.730 23.700 23.198 22.738 22.322 21.955 21.639 21.379 21.179 21.041 20.968 20.958 21.008 21.114 21.269 21.465 21.696 21.958 22.249 99999.999 99999.999 99999.999 85.927 77.075 69.462 62.950 57.350 52.493 48.244 44.492 41.147 38.141 35.422 32.951 30.704 28.663 26.819 23.740 23.224 22.744 22.304 21.905 21.550 21.243 20.986 20.783 20.634 20.542 20.504 20.520 20.586 20.697 20.849 21.038 21.261 21.518 99999.999 99999.999 85.944 77.103 69.494 62.984 57.386 52.532 48.286 44.537 41.197 38.197 35.483 33.019 30.777 28.741 26.899 23.788 23.260 22.765 22.305 21.882 21.498 21.155 20.855 20.602 20.395 20.238 20.129 20.070 20.059 20.092 20.168 20.285 20.438 20.628 20.853 21.114 85.958 77.128 69.524 63.017 57.421 52.570 48.327 44.581 41.246 38.251 35.543 33.084 30.847 28.814 26.972 23.841 23.304 22.797 22.322 21.881 21.474 21.103 20.770 20.477 20.225 20.016 19.851 19.731 19.654 19.620 19.628 19.676 19.763 19.886 20.046 20.242 86.002 77.301 69.752 63.278 57.707 52.880 48.665 44.953 41.659 38.711 36.055 33.648 31.460 29.466 27.647 24.473 23.905 23.358 22.832 22.324 21.836 21.366 20.915 20.481 20.066 19.669 19.289 18.927 18.584 18.258 17.951 17.662 17.392 17.141 16.909 16.695 85.888 77.345 69.867 63.434 57.893 53.092 48.904 45.223 41.962 39.054 36.441 34.081 31.938 29.987 28.205 25.081 24.518 23.973 23.446 22.936 22.442 21.964 21.500 21.051 20.615 20.192 19.781 19.383 18.996 18.621 18.257 17.903 17.560 17.227 16.904 16.590 85.651 77.288 69.890 63.506 57.999 53.227 49.066 45.413 42.183 39.309 36.734 34.414 32.312 30.401 28.658 25.600 25.048 24.514 23.997 23.496 23.011 22.540 22.082 21.638 21.206 20.786 20.377 19.979 19.590 19.212 18.842 18.481 18.127 17.782 17.444 17.112 85.315 77.147 69.841 63.510 58.041 53.300 49.166 45.540 42.338 39.495 36.953 34.668 32.604 30.730 29.023 26.033 25.494 24.972 24.467 23.978 23.504 23.044 22.597 22.163 21.741 21.331 20.931 20.542 20.162 19.791 19.429 19.074 18.727 18.387 18.054 17.726 84.897 76.938 69.730 63.457 58.030 53.321 49.216 45.616 42.441 39.625 37.113 34.860 32.829 30.989 29.315 26.390 25.864 25.354 24.861 24.384 23.922 23.474 23.038 22.616 22.206 21.806 21.418 21.039 20.670 20.310 19.958 19.614 19.278 18.948 18.625 18.307 84.412 76.674 69.568 63.358 57.974 53.300 49.223 45.650 42.501 39.711 37.226 35.001 33.000 31.190 29.548 26.683 26.169 25.671 25.190 24.724 24.273 23.836 23.412 23.001 22.602 22.214 21.836 21.469 21.111 20.761 20.420 20.087 19.762 19.443 19.131 18.825 83.871 76.362 69.364 63.219 57.881 53.242 49.195 45.648 42.524 39.759 37.299 35.100 33.126 31.344 29.730 26.922 26.418 25.932 25.461 25.007 24.566 24.140 23.727 23.326 22.937 22.559 22.192 21.835 21.487 21.149 20.818 20.496 20.181 19.872 19.571 19.275 99999.999 76.010 69.122 63.045 57.755 53.153 49.136 45.616 42.517 39.775 37.339 35.164 33.215 31.459 29.871 27.114 26.621 26.145 25.684 25.239 24.809 24.393 23.989 23.598 23.219 22.851 22.494 22.146 21.808 21.479 21.158 20.845 20.539 20.241 19.949 19.663 clinochlore Mg5Al2Si3O18H8 Ssln ID, Coef: 1 5.000 P-T:All Wt.(g/mol) = 555.830 V(cc/mol) = 211.400 D(g/cc) = 2.629 Ref: H&P2011 5 5.000 10 2.000 8 3.000 7 6.000 2 -16.000 1 68.205 59.126 51.334 44.677 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.206 59.126 51.334 44.677 38.945 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.209 59.129 51.337 44.680 38.948 33.955 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.215 59.135 51.343 44.686 38.955 33.962 29.552 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.225 59.146 51.354 44.697 38.965 33.973 29.564 25.612 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.241 59.163 51.371 44.714 38.982 33.990 29.582 25.632 22.039 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.265 59.188 51.396 44.739 39.008 34.016 29.609 25.661 22.071 18.743 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.299 59.224 51.432 44.775 39.044 34.053 29.648 25.703 22.116 18.794 15.636 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.345 59.273 51.481 44.824 39.093 34.104 29.701 25.759 22.178 18.864 15.719 12.647 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.406 59.337 51.546 44.888 39.159 34.171 29.771 25.834 22.260 18.957 15.828 12.783 9.776 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.483 59.419 51.629 44.971 39.242 34.257 29.861 25.931 22.365 19.075 15.969 12.957 9.985 7.169 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.579 59.522 51.733 45.076 39.348 34.365 29.975 26.052 22.498 19.224 16.145 13.177 10.258 7.395 5.282 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.650 59.600 51.812 45.155 39.428 34.448 30.061 26.144 22.598 19.337 16.278 13.343 10.468 7.621 4.845 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.749 59.708 51.922 45.266 39.541 34.563 30.182 26.273 22.738 19.494 16.463 13.574 10.765 7.978 4.963 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.843 59.812 52.029 45.374 39.650 34.675 30.299 26.398 22.874 19.646 16.641 13.794 11.051 8.344 5.356 28.505 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.932 59.912 52.132 45.478 39.755 34.784 30.412 26.519 23.006 19.793 16.812 14.006 11.324 8.703 5.837 13.382 19.986 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.016 60.008 52.231 45.579 39.858 34.889 30.523 26.636 23.133 19.935 16.977 14.207 11.583 9.048 6.334 9.798 12.205 16.407 22.447 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.096 60.101 52.327 45.676 39.957 34.991 30.630 26.750 23.257 20.072 17.135 14.399 11.827 9.373 6.816 8.242 9.326 11.230 14.201 18.199 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.172 60.190 52.420 45.771 40.054 35.091 30.734 26.861 23.377 20.205 17.287 14.581 12.056 9.675 7.266 7.410 7.899 8.840 10.373 12.596 15.451 18.615 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.244 60.275 52.510 45.863 40.147 35.187 30.835 26.969 23.493 20.334 17.434 14.754 12.270 9.954 7.677 6.927 7.087 7.535 8.346 9.595 11.317 13.458 15.840 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.311 60.357 52.597 45.952 40.238 35.281 30.933 27.073 23.607 20.458 17.575 14.919 12.470 10.208 8.043 6.637 6.596 6.754 7.155 7.850 8.875 10.241 11.902 13.753 15.645 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.375 60.436 52.680 46.038 40.326 35.372 31.028 27.175 23.716 20.579 17.710 15.075 12.656 10.439 8.366 6.468 6.293 6.264 6.411 6.764 7.355 8.203 9.305 10.626 12.101 13.642 15.167 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.435 60.512 52.761 46.121 40.412 35.460 31.121 27.274 23.823 20.696 17.841 15.224 12.829 10.647 8.645 6.377 6.108 5.952 5.928 6.060 6.366 6.867 7.571 8.471 9.544 10.744 12.020 13.321 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.492 60.584 52.839 46.202 40.495 35.546 31.211 27.370 23.927 20.810 17.967 15.365 12.990 10.835 8.884 6.340 6.002 5.755 5.613 5.590 5.703 5.965 6.387 6.974 7.718 8.602 9.596 10.669 11.788 12.930 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.544 60.654 52.915 46.281 40.576 35.630 31.299 27.463 24.028 20.920 18.088 15.500 13.140 11.004 9.087 6.341 5.952 5.638 5.409 5.276 5.250 5.343 5.563 5.918 6.409 7.029 7.767 8.603 9.517 10.489 11.504 99999.999 99999.999 99999.999 99999.999 99999.999 69.594 60.721 52.988 46.357 40.654 35.711 31.384 27.554 24.126 21.027 18.205 15.629 13.281 11.158 9.260 6.369 5.941 5.577 5.283 5.068 4.941 4.909 4.981 5.164 5.461 5.873 6.394 7.016 7.727 8.515 9.366 10.272 11.228 99999.999 99999.999 99999.999 69.640 60.785 53.058 46.430 40.730 35.790 31.467 27.643 24.222 21.131 18.319 15.752 13.414 11.299 9.409 6.419 5.959 5.556 5.213 4.936 4.732 4.607 4.568 4.621 4.770 5.017 5.363 5.803 6.333 6.944 7.629 8.379 9.190 10.058 99999.999 99999.999 69.682 60.846 53.126 46.502 40.804 35.867 31.548 27.729 24.315 21.232 18.429 15.871 13.541 11.430 9.541 6.483 6.000 5.565 5.184 4.859 4.596 4.400 4.276 4.228 4.263 4.381 4.586 4.876 5.251 5.705 6.234 6.833 7.498 8.225 9.012 9.860 69.722 60.904 53.192 46.571 40.876 35.942 31.627 27.813 24.405 21.331 18.536 15.987 13.663 11.555 9.663 6.559 6.056 5.597 5.185 4.823 4.514 4.262 4.072 3.947 3.891 3.908 4.000 4.168 4.412 4.731 5.122 5.583 6.110 6.700 7.353 8.066 69.960 61.359 53.731 47.153 41.489 36.586 32.307 28.540 25.192 22.187 19.470 16.999 14.743 12.685 10.810 7.563 6.990 6.440 5.913 5.410 4.930 4.472 4.038 3.626 3.238 2.873 2.533 2.216 1.925 1.660 1.420 1.208 1.022 0.865 0.736 0.635 69.957 61.614 54.091 47.570 41.944 37.073 32.829 29.102 25.803 22.856 20.204 17.801 15.613 13.615 11.790 8.592 8.017 7.462 6.925 6.406 5.905 5.420 4.950 4.496 4.057 3.631 3.219 2.820 2.434 2.061 1.700 1.351 1.013 0.687 0.372 0.067 69.763 61.710 54.310 47.855 42.273 37.438 33.228 29.539 26.281 23.384 20.787 18.443 16.316 14.378 12.607 9.499 8.938 8.395 7.869 7.360 6.866 6.386 5.920 5.468 5.027 4.598 4.180 3.772 3.373 2.984 2.602 2.229 1.863 1.504 1.151 0.804 69.417 61.678 54.414 48.034 42.502 37.706 33.530 29.876 26.656 23.801 21.252 18.960 16.887 15.004 13.287 10.275 9.732 9.206 8.697 8.203 7.724 7.259 6.806 6.366 5.938 5.520 5.113 4.714 4.324 3.942 3.568 3.200 2.838 2.482 2.131 1.784 68.948 61.542 54.424 48.126 42.648 37.893 33.753 30.132 26.948 24.130 21.623 19.376 17.352 15.519 13.851 10.935 10.410 9.901 9.409 8.932 8.470 8.021 7.585 7.161 6.748 6.346 5.953 5.570 5.195 4.827 4.467 4.112 3.764 3.421 3.083 2.749 68.376 61.320 54.356 48.145 42.726 38.014 33.910 30.323 27.171 24.388 21.918 19.712 17.731 15.943 14.321 11.494 10.985 10.494 10.019 9.559 9.113 8.681 8.261 7.853 7.456 7.070 6.693 6.325 5.966 5.614 5.269 4.931 4.598 4.271 3.949 3.631 67.719 61.026 54.221 48.102 42.744 38.078 34.012 30.458 27.338 24.588 22.151 19.981 18.038 16.290 14.710 11.966 11.474 10.999 10.540 10.095 9.665 9.248 8.844 8.452 8.070 7.699 7.337 6.985 6.641 6.304 5.974 5.651 5.334 5.023 4.716 4.413 99999.999 60.673 54.031 48.006 42.713 38.095 34.067 30.546 27.458 24.738 22.332 20.195 18.287 16.575 15.032 12.364 11.887 11.427 10.983 10.553 10.138 9.735 9.346 8.967 8.600 8.243 7.896 7.558 7.228 6.905 6.590 6.281 5.978 5.681 5.388 5.100 daphnite Fe5Al2Si3O18H8 Ssln ID, Coef: 1 5.000 P-T:All Wt.(g/mol) = 713.510 V(cc/mol) = 216.200 D(g/cc) = 3.300 Ref: H&P2011 5 5.000 11 2.000 8 3.000 7 6.000 2 -16.000 1 54.297 46.459 39.687 33.870 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.297 46.459 39.687 33.870 28.834 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.301 46.463 39.691 33.873 28.838 24.426 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.307 46.470 39.697 33.880 28.845 24.433 20.512 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.317 46.481 39.708 33.891 28.856 24.444 20.524 16.987 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.334 46.499 39.726 33.909 28.874 24.463 20.543 17.007 13.766 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.359 46.525 39.753 33.935 28.900 24.490 20.571 17.037 13.799 10.773 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.395 46.563 39.791 33.973 28.938 24.528 20.611 17.080 13.845 10.825 7.928 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.443 46.614 39.842 34.025 28.990 24.581 20.666 17.138 13.909 10.896 8.011 5.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.507 46.682 39.911 34.093 29.058 24.651 20.739 17.215 13.992 10.990 8.121 5.301 2.488 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.588 46.769 39.998 34.180 29.146 24.741 20.832 17.314 14.099 11.110 8.262 5.475 2.697 0.028 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.689 46.878 40.109 34.291 29.257 24.854 20.950 17.439 14.235 11.260 8.439 5.695 2.968 0.263 -1.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.764 46.960 40.192 34.374 29.342 24.940 21.039 17.534 14.337 11.374 8.573 5.860 3.178 0.491 -2.179 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.868 47.075 40.309 34.492 29.460 25.061 21.165 17.666 14.480 11.534 8.758 6.090 3.472 0.846 -2.034 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.967 47.185 40.422 34.605 29.574 25.178 21.286 17.795 14.619 11.688 8.937 6.310 3.755 1.208 -1.637 19.729 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.061 47.291 40.531 34.715 29.686 25.291 21.404 17.920 14.754 11.837 9.110 6.521 4.025 1.563 -1.161 5.782 11.852 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.150 47.394 40.637 34.822 29.794 25.402 21.519 18.041 14.884 11.981 9.276 6.722 4.282 1.903 -0.672 2.482 4.681 8.530 14.041 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.235 47.492 40.739 34.926 29.899 25.509 21.631 18.159 15.011 12.121 9.435 6.913 4.524 2.223 -0.199 1.059 2.036 3.768 6.477 10.114 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.315 47.587 40.838 35.027 30.001 25.614 21.739 18.274 15.134 12.256 9.589 7.096 4.751 2.521 0.242 0.307 0.733 1.576 2.962 4.979 7.565 10.415 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.391 47.678 40.934 35.124 30.100 25.715 21.845 18.385 15.254 12.387 9.737 7.269 4.964 2.796 0.645 -0.124 0.000 0.387 1.107 2.229 3.782 5.712 7.849 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.464 47.766 41.027 35.219 30.196 25.814 21.947 18.493 15.370 12.514 9.879 7.434 5.163 3.048 1.004 -0.376 -0.438 -0.319 0.025 0.636 1.550 2.773 4.261 5.914 7.594 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.532 47.851 41.116 35.311 30.290 25.910 22.047 18.599 15.483 12.637 10.016 7.592 5.348 3.276 1.322 -0.517 -0.703 -0.755 -0.647 -0.349 0.165 0.914 1.892 3.069 4.379 5.742 7.081 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.596 47.932 41.203 35.400 30.381 26.003 22.144 18.701 15.593 12.757 10.148 7.741 5.521 3.484 1.597 -0.586 -0.859 -1.028 -1.076 -0.984 -0.730 -0.300 0.314 1.107 2.054 3.114 4.238 5.379 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.657 48.010 41.287 35.486 30.469 26.094 22.239 18.801 15.700 12.873 10.276 7.883 5.683 3.671 1.834 -0.606 -0.941 -1.194 -1.352 -1.401 -1.326 -1.115 -0.759 -0.253 0.396 1.170 2.042 2.982 3.961 4.958 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.714 48.085 41.368 35.570 30.555 26.182 22.331 18.898 15.804 12.986 10.399 8.019 5.834 3.841 2.037 -0.591 -0.974 -1.288 -1.525 -1.675 -1.728 -1.673 -1.501 -1.207 -0.790 -0.256 0.384 1.112 1.908 2.756 3.641 99999.999 99999.999 99999.999 99999.999 99999.999 55.767 48.157 41.447 35.652 30.638 26.268 22.420 18.993 15.905 13.095 10.519 8.149 5.975 3.995 2.211 -0.551 -0.970 -1.330 -1.627 -1.852 -1.998 -2.057 -2.022 -1.886 -1.646 -1.302 -0.859 -0.325 0.290 0.972 1.711 2.499 3.332 99999.999 99999.999 99999.999 55.817 48.227 41.523 35.731 30.720 26.352 22.507 19.085 16.004 13.202 10.634 8.274 6.109 4.137 2.361 -0.492 -0.939 -1.336 -1.678 -1.960 -2.176 -2.320 -2.387 -2.370 -2.266 -2.072 -1.790 -1.421 -0.971 -0.448 0.142 0.791 1.494 2.250 99999.999 99999.999 55.864 48.293 41.596 35.807 30.799 26.433 22.592 19.175 16.100 13.305 10.746 8.395 6.237 4.269 2.494 -0.420 -0.889 -1.314 -1.691 -2.017 -2.287 -2.497 -2.641 -2.716 -2.717 -2.641 -2.487 -2.255 -1.947 -1.567 -1.118 -0.605 -0.033 0.595 1.280 2.020 55.907 48.357 41.668 35.882 30.875 26.513 22.675 19.262 16.194 13.406 10.855 8.512 6.361 4.396 2.619 -0.338 -0.824 -1.271 -1.676 -2.036 -2.349 -2.610 -2.815 -2.961 -3.044 -3.061 -3.010 -2.890 -2.701 -2.444 -2.121 -1.734 -1.287 -0.782 -0.219 0.399 56.181 48.861 42.258 36.514 31.536 27.201 23.395 20.025 17.010 14.288 11.810 9.540 7.454 5.538 3.779 0.700 0.150 -0.379 -0.888 -1.376 -1.844 -2.291 -2.719 -3.126 -3.512 -3.878 -4.222 -4.545 -4.845 -5.122 -5.375 -5.604 -5.808 -5.987 -6.141 -6.268 56.208 49.159 42.665 36.977 32.035 27.729 23.955 20.621 17.651 14.983 12.564 10.358 8.336 6.478 4.767 1.738 1.189 0.656 0.140 -0.361 -0.847 -1.319 -1.777 -2.221 -2.653 -3.073 -3.481 -3.877 -4.262 -4.637 -5.000 -5.353 -5.696 -6.029 -6.352 -6.666 56.041 49.295 42.927 37.305 32.406 28.133 24.390 21.090 18.159 15.535 13.168 11.018 9.053 7.251 5.592 2.650 2.114 1.594 1.089 0.597 0.119 -0.346 -0.799 -1.241 -1.673 -2.094 -2.507 -2.910 -3.306 -3.693 -4.074 -4.447 -4.815 -5.177 -5.533 -5.884 55.718 49.300 43.072 37.525 32.674 28.438 24.727 21.459 18.562 15.978 13.655 11.553 9.639 7.888 6.280 3.430 2.911 2.408 1.918 1.442 0.979 0.528 0.088 -0.341 -0.761 -1.171 -1.572 -1.966 -2.352 -2.732 -3.105 -3.473 -3.835 -4.193 -4.546 -4.896 55.269 49.199 43.120 37.656 32.857 28.660 24.983 21.746 18.881 16.332 14.048 11.988 10.120 8.416 6.855 4.095 3.593 3.106 2.633 2.173 1.726 1.291 0.866 0.453 0.048 -0.347 -0.734 -1.113 -1.485 -1.850 -2.209 -2.563 -2.912 -3.257 -3.597 -3.934 54.714 49.009 43.088 37.711 32.970 28.815 25.172 21.966 19.132 16.614 14.365 12.343 10.515 8.853 7.334 4.659 4.173 3.703 3.246 2.802 2.371 1.951 1.542 1.144 0.755 0.375 0.003 -0.360 -0.717 -1.067 -1.411 -1.750 -2.084 -2.413 -2.738 -3.060 54.073 48.745 42.988 37.704 33.023 28.913 25.304 22.130 19.326 16.838 14.620 12.631 10.839 9.215 7.736 5.138 4.668 4.212 3.771 3.342 2.925 2.520 2.126 1.743 1.368 1.003 0.646 0.297 -0.046 -0.381 -0.711 -1.035 -1.354 -1.668 -1.978 -2.285 99999.999 48.420 42.831 37.642 33.025 28.961 25.389 22.246 19.471 17.012 14.823 12.864 11.104 9.514 8.070 5.544 5.088 4.647 4.219 3.804 3.402 3.010 2.630 2.260 1.899 1.547 1.204 0.868 0.539 0.217 -0.099 -0.409 -0.715 -1.015 -1.312 -1.605 chlorite-Mn Mn5Al2Si3O18H8 Ssln ID, Coef: 1 5.000 P-T:All Wt.(g/mol) = 708.970 V(cc/mol) = 225.900 D(g/cc) = 3.138 Ref: H&P2011 5 5.000 14 2.000 8 3.000 7 6.000 2 -16.000 1 75.225 66.399 58.823 52.342 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.225 66.399 58.823 52.342 46.750 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.228 66.402 58.827 52.345 46.753 41.871 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.234 66.408 58.833 52.351 46.759 41.877 37.556 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.244 66.418 58.843 52.361 46.769 41.888 37.567 33.688 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.259 66.434 58.859 52.377 46.785 41.904 37.584 33.706 30.172 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.281 66.458 58.883 52.401 46.809 41.929 37.610 33.734 30.202 26.923 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.313 66.492 58.917 52.435 46.844 41.964 37.647 33.773 30.246 26.972 23.857 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.356 66.538 58.963 52.481 46.891 42.012 37.698 33.827 30.305 27.039 23.936 20.903 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.412 66.599 59.024 52.543 46.953 42.076 37.764 33.899 30.382 27.127 24.041 21.033 18.057 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.484 66.676 59.103 52.622 47.032 42.158 37.850 33.990 30.482 27.240 24.174 21.200 18.258 15.443 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.573 66.773 59.202 52.721 47.133 42.261 37.958 34.106 30.608 27.381 24.342 21.410 18.521 15.672 13.453 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.640 66.846 59.277 52.796 47.209 42.339 38.040 34.193 30.703 27.488 24.469 21.568 18.723 15.893 13.089 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.731 66.948 59.381 52.901 47.315 42.448 38.154 34.315 30.836 27.638 24.644 21.787 19.006 16.238 13.234 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.817 67.046 59.481 53.003 47.419 42.554 38.265 34.434 30.965 27.782 24.814 21.998 19.279 16.590 13.624 34.068 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.899 67.139 59.578 53.101 47.519 42.657 38.373 34.548 31.090 27.921 24.976 22.198 19.539 16.934 14.089 20.534 26.367 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 75.976 67.229 59.672 53.197 47.616 42.757 38.477 34.660 31.211 28.056 25.132 22.390 19.785 17.263 14.566 17.328 19.406 23.084 28.365 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.049 67.315 59.762 53.289 47.710 42.854 38.579 34.768 31.328 28.186 25.282 22.572 20.017 17.573 15.027 15.945 16.838 18.463 21.037 24.507 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.118 67.398 59.849 53.378 47.801 42.948 38.677 34.873 31.442 28.312 25.427 22.745 20.235 17.861 15.456 15.214 15.571 16.335 17.627 19.531 21.985 24.689 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.183 67.477 59.934 53.464 47.889 43.039 38.773 34.974 31.552 28.434 25.566 22.909 20.439 18.126 15.847 14.794 14.858 15.180 15.827 16.864 18.320 20.141 22.160 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.244 67.554 60.015 53.548 47.975 43.127 38.865 35.073 31.659 28.552 25.699 23.065 20.628 18.368 16.196 14.548 14.432 14.494 14.776 15.318 16.156 17.294 18.689 20.242 21.819 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.301 67.626 60.093 53.629 48.058 43.213 38.955 35.169 31.763 28.666 25.827 23.214 20.805 18.587 16.504 14.410 14.174 14.070 14.123 14.362 14.813 15.492 16.395 17.490 18.714 19.988 21.237 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.354 67.696 60.169 53.707 48.138 43.297 39.043 35.262 31.864 28.777 25.951 23.354 20.969 18.786 16.770 14.341 14.021 13.804 13.706 13.746 13.944 14.315 14.866 15.591 16.465 17.450 18.495 19.557 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.404 67.763 60.241 53.783 48.216 43.378 39.128 35.353 31.962 28.884 26.070 23.488 21.122 18.965 16.998 14.320 13.939 13.641 13.437 13.341 13.365 13.524 13.826 14.274 14.860 15.569 16.373 17.244 18.153 19.078 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 76.450 67.827 60.312 53.856 48.292 43.456 39.211 35.441 32.057 28.988 26.185 23.616 21.265 19.126 17.193 14.332 13.906 13.549 13.268 13.073 12.975 12.983 13.106 13.348 13.711 14.189 14.770 15.437 16.171 16.955 17.776 99999.999 99999.999 99999.999 99999.999 99999.999 76.493 67.888 60.379 53.927 48.366 43.533 39.291 35.527 32.149 29.089 26.296 23.738 21.399 19.273 17.359 14.369 13.909 13.506 13.168 12.901 12.712 12.610 12.601 12.691 12.883 13.176 13.567 14.048 14.607 15.233 15.914 16.644 17.418 99999.999 99999.999 99999.999 76.532 67.946 60.445 53.996 48.437 43.607 39.369 35.610 32.239 29.187 26.403 23.855 21.525 19.407 17.502 14.424 13.936 13.499 13.117 12.795 12.539 12.354 12.246 12.221 12.281 12.430 12.667 12.988 13.388 13.861 14.399 14.995 15.645 16.347 99999.999 99999.999 76.569 68.002 60.508 54.063 48.506 43.679 39.445 35.691 32.327 29.283 26.507 23.968 21.645 19.532 17.629 14.492 13.983 13.519 13.103 12.739 12.430 12.182 11.999 11.885 11.844 11.879 11.991 12.180 12.444 12.779 13.181 13.646 14.170 14.750 15.385 16.076 76.602 68.055 60.568 54.127 48.573 43.749 39.519 35.770 32.412 29.375 26.608 24.077 21.761 19.652 17.746 14.570 14.044 13.559 13.116 12.718 12.369 12.072 11.830 11.647 11.527 11.472 11.484 11.565 11.714 11.930 12.211 12.555 12.959 13.420 13.938 14.510 76.779 68.458 61.059 54.664 49.142 44.348 40.154 36.450 33.149 30.180 27.487 25.030 22.782 20.724 18.840 15.553 14.967 14.403 13.862 13.342 12.844 12.367 11.912 11.477 11.065 10.674 10.305 9.959 9.636 9.337 9.061 8.811 8.585 8.385 8.211 8.064 76.720 68.664 61.375 55.038 49.556 44.796 40.636 36.972 33.718 30.803 28.173 25.782 23.599 21.599 19.766 16.533 15.949 15.383 14.836 14.305 13.791 13.292 12.808 12.339 11.884 11.442 11.013 10.596 10.192 9.800 9.419 9.049 8.690 8.342 8.005 7.678 76.475 68.715 61.553 55.285 49.849 45.125 40.999 37.371 34.158 31.291 28.713 26.379 24.255 22.313 20.532 17.390 16.820 16.267 15.731 15.211 14.706 14.214 13.736 13.271 12.817 12.374 11.942 11.520 11.107 10.702 10.306 9.917 9.536 9.161 8.792 8.430 76.080 68.642 61.620 55.429 50.044 45.359 41.268 37.674 34.498 31.672 29.140 26.856 24.784 22.895 21.166 18.118 17.566 17.030 16.510 16.006 15.515 15.039 14.574 14.122 13.681 13.251 12.830 12.418 12.015 11.619 11.231 10.849 10.474 10.104 9.739 9.378 75.563 68.466 61.594 55.488 50.158 45.516 41.460 37.900 34.758 31.969 29.477 27.237 25.212 23.370 21.689 18.733 18.198 17.680 17.177 16.689 16.215 15.754 15.306 14.870 14.444 14.029 13.623 13.226 12.838 12.457 12.083 11.715 11.354 10.997 10.645 10.298 74.946 68.207 61.492 55.476 50.206 45.608 41.589 38.062 34.953 32.197 29.742 27.540 25.556 23.758 22.121 19.251 18.732 18.230 17.744 17.272 16.815 16.370 15.938 15.517 15.107 14.707 14.317 13.936 13.563 13.197 12.838 12.486 12.140 11.799 11.463 11.131 74.245 67.877 61.326 55.403 50.196 45.645 41.664 38.171 35.093 32.369 29.946 27.780 25.833 24.074 22.476 19.686 19.183 18.696 18.225 17.769 17.326 16.897 16.479 16.074 15.679 15.294 14.918 14.552 14.193 13.843 13.499 13.162 12.830 12.504 12.183 11.867 99999.999 67.489 61.105 55.279 50.138 45.635 41.693 38.233 35.187 32.493 30.101 27.966 26.053 24.328 22.767 20.050 19.562 19.090 18.633 18.191 17.762 17.346 16.943 16.551 16.170 15.799 15.437 15.084 14.739 14.402 14.072 13.749 13.431 13.119 12.812 12.509 chlorite-Al-free Mg6Si4O18H8 P-T:All Wt.(g/mol) = 554.220 V(cc/mol) = 215.700 D(g/cc) = 2.569 Ref: H&P2011 4 6.000 10 4.000 7 2.000 2 -12.000 1 71.220 63.730 57.277 51.782 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.220 63.730 57.277 51.782 47.081 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.222 63.732 57.280 51.785 47.084 43.023 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.226 63.736 57.284 51.789 47.088 43.028 39.478 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.233 63.744 57.292 51.797 47.096 43.036 39.486 36.341 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.243 63.755 57.304 51.809 47.109 43.049 39.500 36.356 33.529 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.259 63.773 57.322 51.827 47.127 43.068 39.520 36.377 33.553 30.966 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.281 63.798 57.347 51.853 47.154 43.095 39.549 36.408 33.587 31.004 28.578 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.311 63.831 57.382 51.889 47.190 43.133 39.588 36.451 33.633 31.057 28.640 26.304 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.349 63.875 57.428 51.935 47.237 43.182 39.640 36.506 33.694 31.126 28.723 26.406 24.127 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.398 63.931 57.486 51.994 47.297 43.244 39.706 36.577 33.772 31.215 28.828 26.538 24.289 22.121 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.456 64.000 57.558 52.068 47.373 43.323 39.789 36.667 33.870 31.326 28.960 26.703 24.497 22.319 20.528 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.499 64.051 57.612 52.123 47.430 43.382 39.852 36.734 33.944 31.409 29.059 26.827 24.656 22.500 20.323 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.556 64.121 57.686 52.200 47.509 43.464 39.939 36.828 34.047 31.525 29.196 26.999 24.879 22.776 20.483 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.609 64.187 57.757 52.274 47.585 43.543 40.022 36.918 34.146 31.636 29.327 27.162 25.092 23.054 20.806 34.668 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.657 64.249 57.825 52.344 47.658 43.620 40.103 37.005 34.241 31.744 29.453 27.318 25.294 23.323 21.176 25.457 29.393 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.701 64.308 57.889 52.411 47.728 43.693 40.181 37.088 34.333 31.847 29.574 27.466 25.485 23.580 21.550 23.295 24.674 27.136 30.646 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.740 64.363 57.950 52.475 47.795 43.763 40.255 37.169 34.422 31.946 29.689 27.607 25.665 23.820 21.907 22.382 22.952 24.021 25.731 28.025 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.775 64.414 58.007 52.536 47.859 43.830 40.327 37.247 34.507 32.042 29.799 27.740 25.833 24.043 22.239 21.913 22.119 22.604 23.446 24.700 26.312 28.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.806 64.462 58.062 52.595 47.920 43.895 40.396 37.322 34.589 32.134 29.905 27.866 25.990 24.248 22.541 21.656 21.664 21.848 22.255 22.925 23.876 25.063 26.367 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.833 64.507 58.114 52.651 47.979 43.957 40.463 37.394 34.668 32.222 30.006 27.986 26.136 24.435 22.811 21.516 21.402 21.412 21.571 21.909 22.445 23.182 24.086 25.085 26.084 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.857 64.548 58.163 52.704 48.035 44.017 40.527 37.463 34.745 32.307 30.103 28.099 26.272 24.605 23.048 21.447 21.254 21.152 21.158 21.291 21.568 21.999 22.579 23.283 24.068 24.877 25.658 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.877 64.587 58.209 52.754 48.089 44.074 40.589 37.530 34.819 32.390 30.196 28.206 26.398 24.758 23.255 21.425 21.176 20.998 20.903 20.903 21.011 21.236 21.582 22.044 22.604 23.233 23.898 24.567 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.893 64.623 58.253 52.802 48.141 44.130 40.648 37.595 34.890 32.469 30.285 28.307 26.515 24.897 23.433 21.434 21.145 20.914 20.748 20.657 20.649 20.732 20.913 21.191 21.563 22.014 22.528 23.083 23.660 24.245 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.906 64.655 58.293 52.848 48.190 44.182 40.705 37.657 34.958 32.545 30.371 28.404 26.624 25.022 23.585 21.464 21.146 20.875 20.659 20.503 20.413 20.396 20.457 20.600 20.824 21.125 21.495 21.921 22.390 22.892 23.417 99999.999 99999.999 99999.999 99999.999 99999.999 71.915 64.685 58.332 52.891 48.237 44.233 40.760 37.717 35.025 32.619 30.453 28.495 26.726 25.135 23.715 21.510 21.169 20.870 20.616 20.412 20.262 20.172 20.146 20.188 20.299 20.479 20.725 21.030 21.388 21.791 22.231 22.703 23.206 99999.999 99999.999 99999.999 71.921 64.712 58.368 52.932 48.282 44.281 40.812 37.775 35.088 32.690 30.532 28.583 26.822 25.239 23.827 21.567 21.209 20.887 20.605 20.365 20.171 20.026 19.935 19.900 19.925 20.009 20.154 20.355 20.610 20.915 21.263 21.652 22.077 22.539 99999.999 99999.999 71.924 64.737 58.402 52.971 48.324 44.328 40.863 37.830 35.150 32.758 30.608 28.666 26.913 25.335 23.927 21.631 21.260 20.922 20.617 20.350 20.122 19.936 19.795 19.702 19.660 19.669 19.732 19.847 20.013 20.228 20.489 20.793 21.138 21.522 21.945 22.408 71.924 64.759 58.433 53.008 48.365 44.372 40.912 37.884 35.209 32.824 30.681 28.747 27.000 25.427 24.020 21.702 21.320 20.968 20.647 20.358 20.104 19.886 19.707 19.569 19.474 19.425 19.422 19.466 19.556 19.694 19.876 20.101 20.368 20.675 21.022 21.409 71.770 64.849 58.632 53.269 48.672 44.719 41.299 38.319 35.698 33.374 31.298 29.431 27.747 26.226 24.853 22.500 22.087 21.691 21.313 20.951 20.606 20.277 19.964 19.667 19.386 19.121 18.872 18.639 18.424 18.225 18.043 17.880 17.734 17.607 17.498 17.408 71.380 64.744 58.656 53.369 48.825 44.917 41.540 38.603 36.030 33.759 31.740 29.933 28.308 26.843 25.520 23.237 22.832 22.442 22.066 21.704 21.355 21.019 20.695 20.382 20.080 19.788 19.506 19.234 18.972 18.718 18.473 18.237 18.009 17.789 17.576 17.372 70.804 64.483 58.542 53.341 48.858 44.998 41.665 38.770 36.242 34.018 32.050 30.296 28.726 27.314 26.041 23.847 23.457 23.082 22.720 22.371 22.035 21.709 21.395 21.090 20.796 20.510 20.232 19.963 19.700 19.445 19.196 18.953 18.716 18.484 18.257 18.035 70.078 64.096 58.314 53.210 48.793 44.986 41.697 38.844 36.358 34.178 32.256 30.551 29.030 27.667 26.442 24.338 23.965 23.607 23.261 22.928 22.607 22.296 21.997 21.707 21.426 21.153 20.889 20.631 20.381 20.137 19.899 19.666 19.438 19.215 18.996 18.780 69.230 63.605 57.993 52.992 48.647 44.895 41.653 38.843 36.398 34.259 32.379 30.718 29.241 27.924 26.744 24.727 24.371 24.028 23.699 23.382 23.076 22.782 22.497 22.223 21.957 21.699 21.450 21.207 20.971 20.742 20.518 20.299 20.085 19.876 19.670 19.468 68.279 63.028 57.595 52.701 48.433 44.740 41.546 38.779 36.374 34.274 32.434 30.813 29.378 28.103 26.965 25.029 24.689 24.362 24.048 23.746 23.456 23.176 22.907 22.647 22.396 22.153 21.918 21.690 21.469 21.254 21.045 20.841 20.642 20.447 20.256 20.068 67.243 62.378 57.129 52.350 48.161 44.528 41.385 38.662 36.296 34.235 32.432 30.848 29.452 28.216 27.117 25.258 24.932 24.620 24.321 24.033 23.757 23.492 23.237 22.991 22.754 22.525 22.304 22.090 21.883 21.681 21.486 21.296 21.110 20.929 20.752 20.578 99999.999 61.666 56.608 51.945 47.839 44.270 41.178 38.499 36.173 34.149 32.382 30.834 29.474 28.274 27.211 25.423 25.112 24.813 24.528 24.254 23.992 23.740 23.497 23.265 23.041 22.825 22.617 22.415 22.221 22.032 21.850 21.672 21.499 21.331 21.166 21.005 chloritoid-Mg MgAl2SiO7H2 P-T:All Wt.(g/mol) = 220.370 V(cc/mol) = 68.750 D(g/cc) = 3.205 Ref: H&P2011 5 1.000 10 2.000 8 1.000 7 3.000 2 -8.000 1 28.255 23.596 19.586 16.134 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.255 23.596 19.586 16.134 13.134 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.257 23.598 19.588 16.136 13.135 10.494 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.260 23.601 19.591 16.139 13.138 10.497 8.140 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.265 23.607 19.596 16.144 13.144 10.503 8.146 6.011 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.273 23.615 19.605 16.153 13.153 10.512 8.155 6.021 4.060 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.285 23.628 19.618 16.166 13.166 10.525 8.169 6.036 4.077 2.245 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.303 23.646 19.636 16.184 13.184 10.545 8.189 6.057 4.100 2.272 0.522 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.326 23.671 19.661 16.209 13.210 10.571 8.217 6.087 4.133 2.308 0.565 -1.142 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.357 23.704 19.695 16.243 13.243 10.605 8.253 6.126 4.175 2.356 0.622 -1.072 -2.740 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.397 23.747 19.737 16.285 13.287 10.650 8.300 6.176 4.230 2.418 0.696 -0.981 -2.634 -4.180 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.447 23.800 19.791 16.340 13.341 10.706 8.359 6.239 4.299 2.496 0.788 -0.866 -2.494 -4.076 -5.177 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.484 23.840 19.832 16.381 13.383 10.749 8.404 6.287 4.352 2.555 0.857 -0.780 -2.384 -3.964 -5.461 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.536 23.896 19.889 16.438 13.441 10.809 8.467 6.355 4.425 2.637 0.954 -0.659 -2.230 -3.783 -5.434 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.585 23.951 19.945 16.494 13.498 10.868 8.528 6.420 4.496 2.717 1.047 -0.543 -2.081 -3.594 -5.244 8.216 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.633 24.004 19.999 16.549 13.554 10.924 8.588 6.484 4.565 2.794 1.137 -0.432 -1.938 -3.407 -5.000 -0.656 3.219 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.678 24.054 20.051 16.602 13.608 10.980 8.646 6.546 4.633 2.869 1.224 -0.326 -1.802 -3.227 -4.743 -2.761 -1.350 1.122 4.716 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.721 24.104 20.102 16.654 13.660 11.034 8.702 6.606 4.698 2.941 1.308 -0.225 -1.673 -3.057 -4.491 -3.685 -3.046 -1.927 -0.175 2.205 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.763 24.151 20.152 16.704 13.711 11.086 8.757 6.665 4.761 3.012 1.388 -0.129 -1.553 -2.898 -4.255 -4.186 -3.897 -3.341 -2.438 -1.123 0.578 2.490 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.802 24.197 20.200 16.753 13.761 11.138 8.811 6.722 4.823 3.080 1.466 -0.038 -1.440 -2.752 -4.040 -4.484 -4.387 -4.121 -3.642 -2.905 -1.884 -0.606 0.832 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.840 24.242 20.246 16.800 13.809 11.188 8.863 6.777 4.883 3.146 1.540 0.050 -1.334 -2.618 -3.847 -4.668 -4.689 -4.594 -4.356 -3.946 -3.339 -2.528 -1.535 -0.419 0.738 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.876 24.285 20.292 16.846 13.857 11.236 8.914 6.832 4.942 3.210 1.612 0.132 -1.236 -2.497 -3.678 -4.782 -4.882 -4.897 -4.808 -4.599 -4.249 -3.747 -3.091 -2.301 -1.412 -0.474 0.465 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.911 24.327 20.335 16.892 13.903 11.284 8.964 6.884 4.999 3.273 1.682 0.211 -1.145 -2.387 -3.532 -4.849 -5.004 -5.094 -5.106 -5.028 -4.846 -4.550 -4.133 -3.597 -2.956 -2.233 -1.460 -0.665 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.943 24.367 20.378 16.935 13.948 11.330 9.012 6.936 5.055 3.334 1.749 0.286 -1.060 -2.289 -3.407 -4.884 -5.080 -5.223 -5.306 -5.319 -5.252 -5.097 -4.847 -4.499 -4.057 -3.529 -2.932 -2.285 -1.605 -0.909 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.974 24.406 20.420 16.978 13.991 11.375 9.060 6.986 5.109 3.393 1.814 0.358 -0.980 -2.200 -3.301 -4.896 -5.123 -5.306 -5.440 -5.518 -5.533 -5.479 -5.349 -5.139 -4.849 -4.481 -4.041 -3.541 -2.992 -2.407 -1.793 99999.999 99999.999 99999.999 99999.999 99999.999 29.004 24.443 20.460 17.020 14.034 11.420 9.106 7.035 5.162 3.450 1.876 0.426 -0.906 -2.119 -3.211 -4.891 -5.141 -5.355 -5.527 -5.654 -5.730 -5.749 -5.707 -5.601 -5.426 -5.183 -4.875 -4.505 -4.082 -3.612 -3.103 -2.560 -1.988 99999.999 99999.999 99999.999 29.032 24.480 20.499 17.060 14.076 11.463 9.151 7.083 5.213 3.506 1.937 0.492 -0.835 -2.045 -3.134 -4.873 -5.143 -5.380 -5.582 -5.745 -5.866 -5.941 -5.966 -5.937 -5.850 -5.706 -5.503 -5.244 -4.931 -4.569 -4.163 -3.718 -3.237 -2.722 99999.999 99999.999 29.059 24.515 20.537 17.100 14.116 11.505 9.195 7.130 5.264 3.561 1.997 0.556 -0.768 -1.976 -3.066 -4.847 -5.130 -5.386 -5.611 -5.804 -5.960 -6.078 -6.153 -6.183 -6.165 -6.098 -5.980 -5.810 -5.592 -5.325 -5.014 -4.662 -4.271 -3.843 -3.381 -2.883 29.084 24.549 20.574 17.138 14.156 11.546 9.238 7.176 5.313 3.614 2.054 0.618 -0.703 -1.910 -3.002 -4.813 -5.108 -5.379 -5.623 -5.837 -6.022 -6.172 -6.287 -6.364 -6.400 -6.393 -6.342 -6.247 -6.106 -5.921 -5.694 -5.426 -5.119 -4.774 -4.394 -3.979 29.266 24.829 20.891 17.473 14.504 11.908 9.618 7.579 5.746 4.084 2.564 1.167 -0.121 -1.306 -2.397 -4.308 -4.649 -4.977 -5.293 -5.595 -5.884 -6.160 -6.423 -6.674 -6.910 -7.134 -7.343 -7.539 -7.720 -7.886 -8.037 -8.172 -8.292 -8.396 -8.483 -8.555 29.339 25.018 21.126 17.732 14.779 12.196 9.922 7.903 6.095 4.461 2.974 1.612 0.359 -0.797 -1.865 -3.761 -4.106 -4.440 -4.764 -5.079 -5.384 -5.679 -5.967 -6.246 -6.516 -6.779 -7.034 -7.282 -7.522 -7.755 -7.981 -8.201 -8.414 -8.620 -8.820 -9.013 29.327 25.136 21.297 17.930 14.995 12.428 10.169 8.167 6.379 4.770 3.311 1.978 0.756 -0.371 -1.411 -3.266 -3.605 -3.934 -4.254 -4.566 -4.869 -5.164 -5.452 -5.733 -6.007 -6.274 -6.536 -6.792 -7.043 -7.288 -7.529 -7.766 -7.998 -8.226 -8.451 -8.673 29.247 25.196 21.415 18.080 15.166 12.614 10.370 8.384 6.613 5.025 3.589 2.283 1.087 -0.012 -1.025 -2.833 -3.164 -3.485 -3.798 -4.102 -4.398 -4.687 -4.969 -5.245 -5.514 -5.777 -6.035 -6.287 -6.535 -6.779 -7.018 -7.254 -7.486 -7.715 -7.941 -8.165 29.111 25.209 21.491 18.190 15.298 12.763 10.534 8.562 6.808 5.237 3.821 2.537 1.366 0.292 -0.697 -2.458 -2.779 -3.092 -3.396 -3.693 -3.981 -4.262 -4.536 -4.804 -5.066 -5.322 -5.573 -5.819 -6.060 -6.297 -6.530 -6.760 -6.986 -7.209 -7.430 -7.648 28.930 25.183 21.531 18.267 15.398 12.881 10.667 8.709 6.969 5.414 4.016 2.752 1.602 0.550 -0.416 -2.133 -2.446 -2.750 -3.046 -3.334 -3.614 -3.887 -4.154 -4.414 -4.668 -4.916 -5.159 -5.398 -5.631 -5.861 -6.087 -6.309 -6.527 -6.743 -6.956 -7.167 28.711 25.126 21.542 18.315 15.471 12.973 10.774 8.830 7.104 5.563 4.181 2.934 1.802 0.770 -0.176 -1.851 -2.156 -2.452 -2.741 -3.021 -3.293 -3.559 -3.817 -4.070 -4.316 -4.557 -4.793 -5.024 -5.250 -5.472 -5.690 -5.905 -6.116 -6.324 -6.529 -6.732 99999.999 25.041 21.527 18.339 15.521 13.042 10.859 8.929 7.216 5.689 4.320 3.088 1.973 0.959 0.031 -1.607 -1.904 -2.193 -2.474 -2.747 -3.012 -3.270 -3.522 -3.767 -4.007 -4.241 -4.469 -4.693 -4.912 -5.127 -5.338 -5.546 -5.750 -5.951 -6.149 -6.345 chloritoid-Fe FeAl2SiO7H2 P-T:All Wt.(g/mol) = 251.910 V(cc/mol) = 69.800 D(g/cc) = 3.609 Ref: H&P2011 5 1.000 11 2.000 8 1.000 7 3.000 2 -8.000 1 22.569 18.438 14.869 11.790 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.569 18.438 14.869 11.790 9.108 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.570 18.439 14.871 11.792 9.110 6.743 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.573 18.443 14.874 11.795 9.113 6.747 4.627 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.579 18.448 14.880 11.801 9.119 6.752 4.633 2.707 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.587 18.457 14.889 11.810 9.128 6.761 4.643 2.717 0.940 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.600 18.470 14.902 11.823 9.141 6.775 4.657 2.732 0.957 -0.711 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.617 18.489 14.921 11.842 9.160 6.795 4.677 2.754 0.981 -0.685 -2.288 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.641 18.514 14.946 11.867 9.186 6.821 4.705 2.784 1.013 -0.648 -2.245 -3.821 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.673 18.548 14.980 11.901 9.220 6.856 4.742 2.823 1.056 -0.600 -2.188 -3.751 -5.302 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.714 18.591 15.024 11.945 9.265 6.902 4.789 2.874 1.111 -0.537 -2.115 -3.660 -5.195 -6.639 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.764 18.646 15.079 12.000 9.320 6.959 4.849 2.938 1.181 -0.459 -2.022 -3.546 -5.055 -6.533 -7.556 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.802 18.687 15.121 12.042 9.363 7.003 4.895 2.986 1.234 -0.400 -1.953 -3.459 -4.946 -6.421 -7.829 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.855 18.745 15.180 12.101 9.423 7.064 4.959 3.055 1.308 -0.317 -1.856 -3.339 -4.792 -6.240 -7.797 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.906 18.801 15.237 12.159 9.481 7.123 5.021 3.121 1.380 -0.237 -1.762 -3.223 -4.644 -6.052 -7.606 5.620 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.954 18.855 15.292 12.215 9.537 7.181 5.082 3.185 1.450 -0.159 -1.672 -3.112 -4.501 -5.866 -7.363 -3.017 0.774 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.001 18.907 15.346 12.269 9.592 7.238 5.141 3.248 1.518 -0.084 -1.585 -3.006 -4.366 -5.687 -7.107 -5.065 -3.673 -1.250 2.260 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.045 18.957 15.398 12.322 9.646 7.293 5.198 3.309 1.584 -0.011 -1.501 -2.905 -4.238 -5.517 -6.857 -5.962 -5.323 -4.216 -2.495 -0.167 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.087 19.006 15.449 12.373 9.698 7.347 5.254 3.369 1.648 0.060 -1.420 -2.809 -4.117 -5.360 -6.623 -6.448 -6.148 -5.591 -4.696 -3.401 -1.734 0.136 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.128 19.053 15.498 12.423 9.749 7.399 5.309 3.427 1.710 0.128 -1.342 -2.717 -4.004 -5.214 -6.409 -6.735 -6.623 -6.348 -5.865 -5.133 -4.125 -2.870 -1.461 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.167 19.099 15.546 12.472 9.799 7.450 5.362 3.483 1.771 0.195 -1.267 -2.630 -3.899 -5.081 -6.218 -6.912 -6.915 -6.805 -6.558 -6.143 -5.538 -4.736 -3.758 -2.663 -1.530 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.204 19.143 15.592 12.520 9.847 7.500 5.414 3.538 1.830 0.260 -1.195 -2.547 -3.801 -4.960 -6.050 -7.020 -7.099 -7.097 -6.995 -6.776 -6.421 -5.919 -5.269 -4.489 -3.615 -2.694 -1.775 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.239 19.186 15.637 12.566 9.894 7.548 5.465 3.592 1.888 0.323 -1.125 -2.468 -3.710 -4.850 -5.904 -7.082 -7.216 -7.287 -7.282 -7.191 -7.000 -6.698 -6.279 -5.746 -5.111 -4.399 -3.639 -2.858 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.273 19.228 15.681 12.611 9.940 7.595 5.514 3.644 1.944 0.384 -1.058 -2.393 -3.624 -4.752 -5.779 -7.114 -7.287 -7.410 -7.474 -7.471 -7.392 -7.228 -6.972 -6.621 -6.179 -5.655 -5.065 -4.427 -3.759 -3.075 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.305 19.268 15.724 12.655 9.985 7.642 5.562 3.695 1.999 0.444 -0.992 -2.321 -3.545 -4.663 -5.673 -7.123 -7.326 -7.487 -7.602 -7.662 -7.663 -7.596 -7.457 -7.241 -6.947 -6.578 -6.140 -5.645 -5.103 -4.525 -3.922 99999.999 99999.999 99999.999 99999.999 99999.999 23.336 19.307 15.766 12.698 10.029 7.687 5.609 3.745 2.053 0.502 -0.929 -2.252 -3.470 -4.582 -5.583 -7.116 -7.342 -7.533 -7.684 -7.792 -7.852 -7.857 -7.803 -7.687 -7.505 -7.258 -6.948 -6.579 -6.158 -5.692 -5.190 -4.655 -4.092 99999.999 99999.999 99999.999 23.365 19.344 15.806 12.739 10.072 7.731 5.655 3.794 2.105 0.558 -0.868 -2.185 -3.399 -4.508 -5.506 -7.096 -7.340 -7.554 -7.735 -7.879 -7.982 -8.041 -8.052 -8.011 -7.915 -7.764 -7.556 -7.294 -6.980 -6.620 -6.217 -5.776 -5.301 -4.793 99999.999 99999.999 23.392 19.380 15.845 12.780 10.113 7.774 5.700 3.841 2.156 0.613 -0.808 -2.121 -3.332 -4.439 -5.437 -7.068 -7.326 -7.558 -7.761 -7.933 -8.071 -8.171 -8.231 -8.248 -8.219 -8.142 -8.016 -7.842 -7.619 -7.351 -7.041 -6.690 -6.302 -5.879 -5.422 -4.932 23.418 19.415 15.883 12.820 10.154 7.816 5.744 3.888 2.206 0.667 -0.750 -2.059 -3.266 -4.372 -5.374 -7.033 -7.302 -7.549 -7.770 -7.964 -8.128 -8.261 -8.359 -8.421 -8.445 -8.427 -8.367 -8.263 -8.117 -7.928 -7.698 -7.429 -7.123 -6.780 -6.403 -5.993 23.608 19.706 16.211 13.165 10.512 8.187 6.132 4.298 2.646 1.142 -0.236 -1.507 -2.681 -3.766 -4.765 -6.521 -6.835 -7.137 -7.427 -7.706 -7.972 -8.227 -8.469 -8.700 -8.918 -9.124 -9.316 -9.496 -9.662 -9.814 -9.951 -10.074 -10.183 -10.276 -10.353 -10.415 23.688 19.905 16.456 13.434 10.796 8.485 6.445 4.630 3.001 1.526 0.179 -1.058 -2.199 -3.254 -4.231 -5.972 -6.289 -6.597 -6.896 -7.186 -7.467 -7.741 -8.006 -8.265 -8.515 -8.759 -8.996 -9.226 -9.449 -9.666 -9.877 -10.081 -10.280 -10.472 -10.659 -10.840 23.682 20.032 16.636 13.642 11.022 8.725 6.700 4.901 3.292 1.840 0.520 -0.687 -1.799 -2.825 -3.775 -5.475 -5.787 -6.090 -6.385 -6.672 -6.951 -7.224 -7.490 -7.750 -8.003 -8.252 -8.495 -8.733 -8.966 -9.195 -9.419 -9.640 -9.857 -10.071 -10.282 -10.490 23.607 20.100 16.764 13.800 11.201 8.919 6.908 5.124 3.532 2.100 0.803 -0.379 -1.464 -2.463 -3.388 -5.041 -5.345 -5.640 -5.927 -6.207 -6.480 -6.746 -7.007 -7.261 -7.510 -7.754 -7.993 -8.227 -8.458 -8.684 -8.907 -9.127 -9.344 -9.559 -9.771 -9.980 23.477 20.121 16.848 13.919 11.341 9.076 7.079 5.310 3.732 2.318 1.040 -0.120 -1.181 -2.157 -3.057 -4.665 -4.959 -5.246 -5.525 -5.797 -6.062 -6.321 -6.574 -6.821 -7.062 -7.299 -7.531 -7.759 -7.983 -8.203 -8.420 -8.634 -8.845 -9.053 -9.260 -9.464 23.300 20.102 16.896 14.003 11.449 9.201 7.219 5.463 3.900 2.501 1.240 0.099 -0.942 -1.895 -2.773 -4.338 -4.624 -4.903 -5.174 -5.438 -5.695 -5.946 -6.191 -6.430 -6.664 -6.893 -7.118 -7.338 -7.555 -7.767 -7.977 -8.183 -8.387 -8.588 -8.787 -8.984 23.085 20.051 16.914 14.059 11.530 9.300 7.333 5.590 4.041 2.655 1.410 0.285 -0.738 -1.672 -2.530 -4.055 -4.333 -4.604 -4.867 -5.123 -5.373 -5.616 -5.854 -6.086 -6.312 -6.534 -6.751 -6.964 -7.173 -7.379 -7.581 -7.780 -7.976 -8.170 -8.361 -8.550 99999.999 19.973 16.907 14.091 11.587 9.376 7.424 5.695 4.158 2.786 1.554 0.443 -0.563 -1.480 -2.320 -3.808 -4.080 -4.343 -4.599 -4.848 -5.091 -5.327 -5.558 -5.783 -6.002 -6.217 -6.428 -6.634 -6.836 -7.034 -7.230 -7.422 -7.611 -7.798 -7.982 -8.164 chloritoid-Mn MnAl2SiO7H2 P-T:All Wt.(g/mol) = 251.000 V(cc/mol) = 71.750 D(g/cc) = 3.498 Ref: H&P2011 5 1.000 14 2.000 8 1.000 7 3.000 2 -8.000 1 24.858 20.705 17.120 14.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.858 20.705 17.120 14.029 11.338 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.860 20.706 17.122 14.031 11.339 8.966 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.863 20.709 17.125 14.034 11.343 8.969 6.844 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.868 20.715 17.130 14.039 11.348 8.974 6.850 4.920 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.876 20.723 17.138 14.047 11.357 8.983 6.860 4.930 3.152 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.888 20.736 17.151 14.060 11.369 8.996 6.873 4.945 3.168 1.499 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.905 20.754 17.169 14.078 11.388 9.015 6.893 4.966 3.191 1.525 -0.079 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.928 20.778 17.194 14.103 11.413 9.041 6.920 4.995 3.223 1.561 -0.036 -1.612 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.958 20.810 17.226 14.136 11.446 9.075 6.956 5.034 3.265 1.608 0.020 -1.543 -3.092 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.997 20.852 17.268 14.178 11.488 9.119 7.002 5.083 3.318 1.669 0.091 -1.453 -2.987 -4.431 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.045 20.904 17.321 14.231 11.542 9.174 7.060 5.145 3.386 1.745 0.182 -1.341 -2.849 -4.326 -5.354 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.082 20.943 17.361 14.271 11.583 9.216 7.104 5.192 3.438 1.803 0.250 -1.256 -2.742 -4.215 -5.623 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.132 20.998 17.417 14.328 11.640 9.275 7.166 5.258 3.510 1.883 0.345 -1.137 -2.590 -4.036 -5.591 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.180 21.052 17.472 14.383 11.696 9.332 7.226 5.322 3.580 1.962 0.437 -1.024 -2.443 -3.850 -5.402 7.684 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.226 21.103 17.525 14.436 11.750 9.388 7.284 5.385 3.647 2.037 0.525 -0.915 -2.303 -3.666 -5.161 -0.871 2.880 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.270 21.153 17.576 14.488 11.803 9.442 7.341 5.446 3.713 2.111 0.610 -0.811 -2.169 -3.489 -4.907 -2.900 -1.524 0.872 4.342 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.312 21.201 17.626 14.539 11.854 9.495 7.397 5.505 3.777 2.182 0.692 -0.712 -2.043 -3.322 -4.660 -3.789 -3.159 -2.066 -0.365 1.936 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.352 21.247 17.674 14.588 11.904 9.547 7.451 5.562 3.840 2.251 0.771 -0.617 -1.925 -3.166 -4.428 -4.270 -3.977 -3.428 -2.545 -1.267 0.381 2.227 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.390 21.292 17.721 14.636 11.953 9.597 7.503 5.618 3.900 2.318 0.847 -0.527 -1.814 -3.023 -4.217 -4.556 -4.447 -4.178 -3.704 -2.981 -1.987 -0.747 0.643 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.427 21.336 17.767 14.682 12.001 9.646 7.554 5.673 3.959 2.383 0.920 -0.442 -1.710 -2.891 -4.027 -4.731 -4.737 -4.632 -4.390 -3.982 -3.386 -2.595 -1.630 -0.549 0.568 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.462 21.378 17.811 14.728 12.047 9.694 7.604 5.726 4.017 2.446 0.991 -0.361 -1.614 -2.772 -3.861 -4.838 -4.920 -4.921 -4.823 -4.609 -4.261 -3.767 -3.126 -2.357 -1.495 -0.587 0.319 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.495 21.418 17.854 14.772 12.092 9.741 7.653 5.778 4.073 2.507 1.059 -0.283 -1.524 -2.665 -3.717 -4.901 -5.036 -5.109 -5.108 -5.021 -4.834 -4.538 -4.126 -3.601 -2.976 -2.274 -1.525 -0.756 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.526 21.457 17.896 14.815 12.136 9.786 7.701 5.828 4.127 2.566 1.125 -0.210 -1.441 -2.568 -3.594 -4.932 -5.107 -5.232 -5.299 -5.299 -5.223 -5.063 -4.812 -4.468 -4.033 -3.518 -2.937 -2.308 -1.650 -0.976 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.556 21.495 17.936 14.856 12.179 9.830 7.747 5.877 4.180 2.624 1.188 -0.139 -1.363 -2.480 -3.490 -4.942 -5.146 -5.309 -5.425 -5.488 -5.492 -5.428 -5.293 -5.082 -4.794 -4.431 -4.001 -3.513 -2.979 -2.411 -1.816 99999.999 99999.999 99999.999 99999.999 99999.999 25.585 21.532 17.976 14.897 12.221 9.873 7.792 5.926 4.232 2.681 1.250 -0.072 -1.290 -2.401 -3.402 -4.935 -5.162 -5.354 -5.508 -5.617 -5.679 -5.687 -5.636 -5.524 -5.347 -5.105 -4.800 -4.437 -4.023 -3.565 -3.070 -2.544 -1.989 99999.999 99999.999 99999.999 25.612 21.567 18.014 14.937 12.262 9.916 7.836 5.972 4.283 2.736 1.310 -0.007 -1.220 -2.328 -3.326 -4.917 -5.162 -5.376 -5.558 -5.703 -5.808 -5.870 -5.883 -5.845 -5.753 -5.606 -5.402 -5.145 -4.837 -4.483 -4.087 -3.653 -3.185 -2.685 99999.999 99999.999 25.637 21.601 18.051 14.975 12.301 9.957 7.879 6.018 4.332 2.789 1.368 0.055 -1.154 -2.260 -3.259 -4.889 -5.148 -5.381 -5.585 -5.758 -5.897 -5.999 -6.061 -6.080 -6.054 -5.980 -5.858 -5.688 -5.470 -5.208 -4.902 -4.557 -4.176 -3.759 -3.309 -2.826 25.661 21.634 18.087 15.013 12.340 9.997 7.921 6.063 4.380 2.841 1.424 0.116 -1.091 -2.196 -3.196 -4.855 -5.125 -5.372 -5.594 -5.788 -5.954 -6.088 -6.188 -6.252 -6.277 -6.262 -6.205 -6.105 -5.963 -5.779 -5.553 -5.289 -4.988 -4.651 -4.280 -3.876 25.832 21.905 18.395 15.339 12.680 10.351 8.293 6.457 4.804 3.301 1.923 0.653 -0.520 -1.603 -2.600 -4.354 -4.668 -4.970 -5.260 -5.538 -5.804 -6.058 -6.301 -6.531 -6.750 -6.955 -7.148 -7.328 -7.494 -7.647 -7.785 -7.909 -8.018 -8.112 -8.191 -8.254 25.895 22.085 18.622 15.590 12.947 10.632 8.590 6.774 5.145 3.670 2.325 1.089 -0.051 -1.104 -2.079 -3.816 -4.133 -4.440 -4.738 -5.028 -5.309 -5.582 -5.847 -6.105 -6.355 -6.598 -6.834 -7.064 -7.287 -7.504 -7.714 -7.919 -8.117 -8.309 -8.495 -8.676 25.873 22.195 18.785 15.782 13.157 10.857 8.830 7.031 5.422 3.971 2.653 1.447 0.337 -0.687 -1.635 -3.331 -3.642 -3.944 -4.238 -4.524 -4.803 -5.075 -5.340 -5.599 -5.853 -6.100 -6.342 -6.580 -6.812 -7.041 -7.265 -7.485 -7.702 -7.915 -8.125 -8.332 25.784 22.248 18.897 15.926 13.321 11.037 9.025 7.242 5.650 4.219 2.924 1.744 0.661 -0.336 -1.258 -2.907 -3.210 -3.504 -3.791 -4.070 -4.342 -4.608 -4.867 -5.121 -5.369 -5.612 -5.850 -6.084 -6.313 -6.539 -6.762 -6.981 -7.197 -7.411 -7.622 -7.831 25.640 22.254 18.967 16.030 13.448 11.181 9.184 7.415 5.839 4.425 3.150 1.992 0.933 -0.040 -0.938 -2.541 -2.834 -3.120 -3.398 -3.669 -3.933 -4.191 -4.443 -4.689 -4.930 -5.166 -5.397 -5.624 -5.847 -6.067 -6.283 -6.496 -6.706 -6.914 -7.119 -7.323 25.451 22.221 19.001 16.101 13.543 11.294 9.311 7.557 5.995 4.598 3.340 2.200 1.162 0.211 -0.664 -2.223 -2.509 -2.786 -3.056 -3.319 -3.575 -3.825 -4.069 -4.307 -4.541 -4.769 -4.993 -5.212 -5.427 -5.639 -5.848 -6.053 -6.256 -6.457 -6.655 -6.851 25.225 22.157 19.006 16.144 13.611 11.381 9.414 7.673 6.125 4.742 3.499 2.377 1.357 0.425 -0.430 -1.949 -2.226 -2.496 -2.758 -3.013 -3.262 -3.504 -3.741 -3.971 -4.197 -4.418 -4.634 -4.846 -5.054 -5.259 -5.460 -5.658 -5.854 -6.046 -6.237 -6.425 99999.999 22.067 18.985 16.163 13.657 11.446 9.494 7.767 6.232 4.862 3.634 2.526 1.523 0.608 -0.229 -1.711 -1.981 -2.243 -2.498 -2.746 -2.988 -3.223 -3.452 -3.676 -3.895 -4.109 -4.318 -4.523 -4.725 -4.922 -5.117 -5.308 -5.496 -5.682 -5.865 -6.047 clinohumite Mg9Si4O18H2 P-T:All Wt.(g/mol) = 621.160 V(cc/mol) = 198.010 D(g/cc) = 3.137 Ref: H&P2011 4 9.000 10 4.000 7 2.000 2 -18.000 1 147.404 131.733 118.330 106.872 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.404 131.733 118.330 106.872 96.998 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.407 131.736 118.334 106.875 97.001 88.403 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.414 131.743 118.340 106.882 97.008 88.410 80.837 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.424 131.754 118.351 106.893 97.019 88.422 80.850 74.102 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.441 131.771 118.368 106.910 97.037 88.440 80.869 74.123 68.040 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.465 131.797 118.394 106.936 97.063 88.467 80.898 74.154 68.074 62.510 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.500 131.833 118.431 106.973 97.101 88.506 80.939 74.199 68.123 62.566 57.384 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.548 131.883 118.481 107.024 97.152 88.559 80.995 74.259 68.190 62.642 57.475 52.552 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.610 131.949 118.547 107.090 97.219 88.629 81.069 74.339 68.278 62.742 57.594 52.701 47.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.688 132.032 118.632 107.175 97.306 88.719 81.164 74.441 68.391 62.871 57.748 52.894 48.214 43.768 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.785 132.136 118.737 107.282 97.415 88.831 81.283 74.570 68.532 63.032 57.940 53.135 48.519 44.051 40.296 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.857 132.214 118.817 107.363 97.497 88.917 81.373 74.667 68.639 63.153 58.084 53.317 48.752 44.314 39.960 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 147.954 132.321 118.927 107.475 97.612 89.036 81.499 74.803 68.789 63.322 58.285 53.569 49.079 44.718 40.176 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 148.046 132.424 119.033 107.583 97.722 89.151 81.621 74.934 68.933 63.485 58.477 53.809 49.392 45.126 40.644 59.829 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 148.132 132.522 119.135 107.687 97.829 89.262 81.738 75.061 69.072 63.642 58.662 54.039 49.691 45.523 41.186 45.733 51.396 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 148.213 132.615 119.233 107.787 97.932 89.369 81.852 75.184 69.207 63.794 58.840 54.257 49.973 45.901 41.736 42.413 44.165 47.586 52.634 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 148.288 132.703 119.326 107.883 98.032 89.473 81.962 75.303 69.338 63.940 59.010 54.465 50.239 46.257 42.264 41.003 41.517 42.805 45.084 48.276 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 148.357 132.788 119.416 107.976 98.127 89.573 82.069 75.418 69.464 64.082 59.173 54.662 50.488 46.587 42.756 40.275 40.231 40.623 41.573 43.164 45.317 47.703 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 148.422 132.868 119.501 108.065 98.220 89.670 82.172 75.529 69.586 64.218 59.330 54.849 50.721 46.891 43.203 39.871 39.523 39.455 39.737 40.432 41.567 43.076 44.777 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 148.482 132.944 119.584 108.151 98.309 89.763 82.271 75.637 69.704 64.350 59.481 55.027 50.938 47.168 43.604 39.647 39.113 38.776 38.679 38.863 39.362 40.176 41.257 42.496 43.747 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 148.537 133.016 119.662 108.233 98.395 89.854 82.367 75.741 69.818 64.477 59.626 55.196 51.140 47.421 43.956 39.534 38.876 38.368 38.036 37.907 38.006 38.350 38.932 39.714 40.629 41.590 42.519 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 148.587 133.084 119.737 108.313 98.478 89.941 82.461 75.842 69.929 64.600 59.765 55.356 51.328 47.649 44.263 39.492 38.749 38.125 37.636 37.302 37.142 37.169 37.392 37.799 38.365 39.046 39.790 40.548 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 148.633 133.149 119.809 108.389 98.558 90.026 82.551 75.939 70.036 64.719 59.898 55.507 51.503 47.856 44.527 39.498 38.694 37.987 37.390 36.916 36.577 36.387 36.354 36.480 36.755 37.161 37.670 38.249 38.869 39.507 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 148.675 133.209 119.878 108.462 98.635 90.107 82.638 76.034 70.140 64.835 60.027 55.652 51.667 48.043 44.754 39.538 38.688 37.921 37.246 36.671 36.207 35.863 35.646 35.562 35.611 35.785 36.070 36.449 36.902 37.409 37.958 99999.999 99999.999 99999.999 99999.999 99999.999 148.712 133.267 119.944 108.532 98.710 90.186 82.722 76.126 70.241 64.946 60.151 55.790 51.820 48.212 44.948 39.603 38.718 37.906 37.173 36.524 35.968 35.511 35.160 34.921 34.795 34.782 34.877 35.070 35.349 35.703 36.119 36.590 37.111 99999.999 99999.999 99999.999 148.745 133.321 120.006 108.600 98.781 90.262 82.804 76.215 70.338 65.054 60.271 55.922 51.964 48.368 45.116 39.685 38.773 37.927 37.150 36.446 35.821 35.280 34.828 34.471 34.212 34.052 33.990 34.023 34.144 34.345 34.620 34.961 35.364 35.826 99999.999 99999.999 148.775 133.371 120.066 108.665 98.850 90.335 82.883 76.301 70.433 65.159 60.386 56.049 52.101 48.513 45.266 39.779 38.847 37.974 37.163 36.417 35.739 35.134 34.606 34.159 33.797 33.521 33.333 33.232 33.216 33.280 33.420 33.631 33.909 34.252 34.658 35.128 148.800 133.419 120.122 108.727 98.917 90.406 82.960 76.384 70.525 65.260 60.499 56.172 52.234 48.652 45.406 39.883 38.935 38.041 37.204 36.424 35.706 35.051 34.464 33.948 33.505 33.138 32.849 32.639 32.506 32.450 32.469 32.559 32.717 32.942 33.231 33.584 148.859 133.733 120.546 109.215 99.455 90.992 83.599 77.086 71.303 66.126 61.461 57.232 53.385 49.878 46.677 41.090 40.090 39.127 38.198 37.304 36.443 35.615 34.820 34.056 33.323 32.622 31.953 31.315 30.709 30.135 29.593 29.084 28.608 28.165 27.756 27.380 148.620 133.801 120.752 109.502 99.800 91.390 84.048 77.593 71.875 66.773 62.188 58.045 54.283 50.856 47.726 42.235 41.245 40.288 39.362 38.465 37.596 36.755 35.939 35.148 34.381 33.637 32.914 32.213 31.533 30.872 30.230 29.608 29.003 28.416 27.846 27.293 148.146 133.674 120.784 109.629 99.994 91.640 84.351 77.949 72.289 67.251 62.738 58.669 54.984 51.632 48.574 43.210 42.242 41.305 40.398 39.519 38.667 37.840 37.037 36.257 35.499 34.761 34.043 33.344 32.662 31.996 31.347 30.712 30.091 29.484 28.889 28.307 147.482 133.389 120.675 109.625 100.065 91.770 84.535 78.185 72.579 67.599 63.148 59.146 55.530 52.248 49.258 44.021 43.076 42.163 41.279 40.422 39.591 38.786 38.003 37.244 36.505 35.786 35.086 34.403 33.738 33.088 32.453 31.831 31.223 30.627 30.042 29.469 146.663 132.973 120.449 109.513 100.034 91.802 84.622 78.324 72.769 67.842 63.447 59.505 55.950 52.731 49.804 44.689 43.768 42.878 42.016 41.182 40.374 39.590 38.830 38.091 37.374 36.676 35.997 35.336 34.690 34.061 33.446 32.844 32.256 31.679 31.114 30.559 145.715 132.449 120.125 109.310 99.917 91.752 84.627 78.381 72.876 67.998 63.655 59.766 56.268 53.107 50.238 45.236 44.338 43.469 42.630 41.817 41.030 40.267 39.528 38.811 38.114 37.437 36.779 36.138 35.514 34.905 34.310 33.730 33.162 32.606 32.061 31.527 144.659 131.834 119.718 109.030 99.726 91.631 84.565 78.370 72.913 68.083 63.787 59.948 56.501 53.393 50.577 45.681 44.803 43.955 43.136 42.343 41.576 40.834 40.114 39.417 38.740 38.082 37.444 36.822 36.217 35.628 35.053 34.492 33.944 33.407 32.882 32.368 99999.999 131.142 119.239 108.683 99.472 91.449 84.443 78.300 72.891 68.107 63.856 60.063 56.663 53.602 50.836 46.037 45.179 44.350 43.549 42.776 42.028 41.304 40.603 39.923 39.265 38.625 38.005 37.401 36.814 36.243 35.686 35.143 34.612 34.094 33.587 33.091 coesite SiO2 P-T:All Wt.(g/mol) = 60.080 V(cc/mol) = 20.640 D(g/cc) = 2.911 Ref: H&P2011 2 1.000 7 -2.000 2 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-1.136 -1.142 -1.150 -1.159 -1.168 -1.179 -1.190 99999.999 99999.999 99999.999 -3.472 -3.025 -2.731 -2.508 -2.325 -2.167 -2.029 -1.905 -1.793 -1.691 -1.597 -1.512 -1.434 -1.363 -1.300 -1.196 -1.179 -1.164 -1.150 -1.138 -1.127 -1.119 -1.112 -1.107 -1.104 -1.103 -1.103 -1.106 -1.110 -1.115 -1.122 -1.129 -1.137 -1.146 99999.999 99999.999 -3.483 -3.031 -2.734 -2.509 -2.325 -2.167 -2.028 -1.903 -1.790 -1.688 -1.593 -1.507 -1.428 -1.357 -1.292 -1.185 -1.168 -1.151 -1.137 -1.123 -1.111 -1.101 -1.092 -1.085 -1.080 -1.077 -1.075 -1.074 -1.075 -1.078 -1.082 -1.086 -1.092 -1.098 -1.104 -1.110 -3.495 -3.037 -2.738 -2.511 -2.326 -2.167 -2.027 -1.901 -1.788 -1.685 -1.590 -1.503 -1.423 -1.351 -1.285 -1.175 -1.157 -1.140 -1.124 -1.110 -1.097 -1.085 -1.075 -1.066 -1.059 -1.053 -1.049 -1.047 -1.045 -1.045 -1.046 -1.049 -1.052 -1.055 -1.059 -1.064 -3.635 -3.118 -2.790 -2.545 -2.347 -2.178 -2.030 -1.898 -1.777 -1.668 -1.566 -1.473 -1.387 -1.307 -1.233 -1.102 -1.078 -1.056 -1.034 -1.013 -0.993 -0.974 -0.955 -0.938 -0.921 -0.905 -0.890 -0.875 -0.861 -0.848 -0.836 -0.825 -0.814 -0.804 -0.794 -0.785 -3.809 -3.229 -2.869 -2.605 -2.392 -2.212 -2.055 -1.914 -1.787 -1.671 -1.563 -1.464 -1.371 -1.285 -1.204 -1.059 -1.032 -1.006 -0.981 -0.957 -0.933 -0.910 -0.887 -0.866 -0.844 -0.824 -0.804 -0.785 -0.766 -0.748 -0.730 -0.713 -0.697 -0.681 -0.665 -0.650 -4.011 -3.365 -2.971 -2.685 -2.457 -2.264 -2.097 -1.948 -1.813 -1.690 -1.576 -1.471 -1.372 -1.280 -1.194 -1.036 -1.007 -0.979 -0.951 -0.924 -0.898 -0.872 -0.847 -0.822 -0.798 -0.775 -0.752 -0.729 -0.708 -0.686 -0.665 -0.645 -0.625 -0.606 -0.587 -0.568 -4.236 -3.521 -3.091 -2.782 -2.537 -2.332 -2.154 -1.996 -1.853 -1.723 -1.602 -1.491 -1.386 -1.289 -1.197 -1.029 -0.998 -0.967 -0.937 -0.908 -0.879 -0.851 -0.824 -0.797 -0.771 -0.745 -0.720 -0.695 -0.671 -0.648 -0.624 -0.602 -0.580 -0.558 -0.536 -0.515 -4.479 -3.694 -3.227 -2.893 -2.631 -2.412 -2.223 -2.055 -1.904 -1.766 -1.639 -1.522 -1.411 -1.308 -1.211 -1.033 -1.000 -0.967 -0.935 -0.904 -0.874 -0.844 -0.814 -0.786 -0.758 -0.730 -0.703 -0.676 -0.650 -0.625 -0.600 -0.575 -0.551 -0.527 -0.504 -0.481 -4.739 -3.881 -3.376 -3.017 -2.736 -2.503 -2.302 -2.125 -1.965 -1.820 -1.686 -1.562 -1.446 -1.337 -1.235 -1.047 -1.012 -0.978 -0.944 -0.911 -0.879 -0.847 -0.816 -0.785 -0.756 -0.726 -0.697 -0.669 -0.642 -0.614 -0.588 -0.561 -0.536 -0.510 -0.485 -0.461 -5.013 -4.081 -3.536 -3.152 -2.852 -2.604 -2.391 -2.203 -2.035 -1.882 -1.741 -1.610 -1.488 -1.374 -1.267 -1.070 -1.033 -0.997 -0.961 -0.926 -0.892 -0.859 -0.826 -0.794 -0.763 -0.732 -0.701 -0.672 -0.642 -0.614 -0.585 -0.558 -0.530 -0.503 -0.477 -0.451 99999.999 -4.293 -3.707 -3.296 -2.976 -2.713 -2.488 -2.289 -2.112 -1.951 -1.802 -1.665 -1.538 -1.418 -1.306 -1.099 -1.060 -1.023 -0.985 -0.949 -0.913 -0.878 -0.844 -0.810 -0.777 -0.745 -0.713 -0.682 -0.651 -0.621 -0.591 -0.562 -0.533 -0.505 -0.477 -0.450 cordierite-H Mg2Al4Si5O19H2 P-T:All Wt.(g/mol) = 602.980 V(cc/mol) = 233.220 D(g/cc) = 2.585 Ref: H&P2011 5 2.000 10 4.000 8 5.000 7 -1.000 2 -16.000 1 55.263 45.671 37.245 29.924 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.263 45.671 37.245 29.924 23.530 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.268 45.676 37.250 29.929 23.535 17.892 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.276 45.685 37.259 29.939 23.545 17.901 12.857 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.291 45.700 37.275 29.954 23.560 17.918 12.874 8.304 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.313 45.725 37.300 29.979 23.586 17.943 12.900 8.332 4.135 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.347 45.762 37.337 30.017 23.623 17.981 12.940 8.373 4.180 0.260 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.396 45.814 37.391 30.070 23.677 18.036 12.996 8.433 4.244 0.330 -3.413 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.461 45.886 37.463 30.143 23.750 18.111 13.073 8.514 4.331 0.426 -3.302 -6.955 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.547 45.981 37.560 30.240 23.847 18.209 13.175 8.621 4.445 0.553 -3.157 -6.780 -10.360 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.657 46.102 37.683 30.364 23.972 18.336 13.307 8.760 4.593 0.716 -2.970 -6.556 -10.099 -13.457 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.794 46.255 37.840 30.521 24.130 18.497 13.473 8.934 4.780 0.921 -2.734 -6.273 -9.758 -13.172 -15.708 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.897 46.370 37.958 30.640 24.250 18.620 13.600 9.067 4.922 1.076 -2.556 -6.058 -9.495 -12.895 -16.184 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.039 46.531 38.124 30.807 24.419 18.791 13.777 9.253 5.121 1.294 -2.308 -5.759 -9.124 -12.461 -16.028 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.175 46.686 38.284 30.970 24.583 18.959 13.950 9.435 5.314 1.505 -2.068 -5.472 -8.765 -12.015 -15.561 10.202 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.304 46.837 38.440 31.127 24.743 19.121 14.118 9.611 5.502 1.710 -1.836 -5.196 -8.421 -11.576 -14.994 -7.017 0.414 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.428 46.982 38.592 31.281 24.898 19.280 14.282 9.783 5.685 1.908 -1.612 -4.931 -8.093 -11.154 -14.407 -11.030 -8.396 -3.701 3.160 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.545 47.122 38.738 31.430 25.049 19.434 14.441 9.950 5.863 2.101 -1.396 -4.678 -7.782 -10.754 -13.836 -12.744 -11.611 -9.545 -6.251 -1.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.657 47.257 38.881 31.575 25.197 19.585 14.597 10.113 6.036 2.289 -1.187 -4.436 -7.488 -10.380 -13.300 -13.640 -13.182 -12.209 -10.561 -8.117 -4.931 -1.348 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.764 47.387 39.019 31.717 25.340 19.732 14.748 10.272 6.204 2.471 -0.985 -4.204 -7.211 -10.033 -12.808 -14.144 -14.055 -13.642 -12.815 -11.488 -9.614 -7.246 -4.577 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.865 47.513 39.153 31.854 25.480 19.874 14.896 10.426 6.369 2.648 -0.790 -3.982 -6.950 -9.712 -12.364 -14.429 -14.568 -14.483 -14.120 -13.424 -12.349 -10.879 -9.061 -7.010 -4.888 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.961 47.635 39.283 31.987 25.616 20.014 15.040 10.577 6.529 2.820 -0.601 -3.770 -6.705 -9.418 -11.970 -14.580 -14.870 -14.995 -14.921 -14.611 -14.031 -13.156 -11.986 -10.557 -8.941 -7.235 -5.530 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.052 47.752 39.409 32.117 25.749 20.150 15.181 10.724 6.685 2.988 -0.419 -3.568 -6.475 -9.149 -11.622 -14.643 -15.039 -15.307 -15.424 -15.367 -15.109 -14.630 -13.918 -12.977 -11.833 -10.535 -9.140 -7.705 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.138 47.866 39.531 32.244 25.878 20.282 15.318 10.868 6.837 3.151 -0.242 -3.373 -6.259 -8.903 -11.320 -14.646 -15.119 -15.489 -15.740 -15.857 -15.819 -15.611 -15.220 -14.639 -13.876 -12.949 -11.888 -10.731 -9.513 -8.260 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.220 47.975 39.650 32.367 26.004 20.411 15.452 11.008 6.985 3.310 -0.070 -3.187 -6.055 -8.677 -11.057 -14.607 -15.137 -15.582 -15.931 -16.172 -16.291 -16.275 -16.113 -15.797 -15.325 -14.702 -13.942 -13.065 -12.093 -11.050 -9.950 99999.999 99999.999 99999.999 99999.999 99999.999 57.297 48.080 39.765 32.487 26.127 20.537 15.582 11.145 7.130 3.465 0.096 -3.008 -5.862 -8.470 -10.828 -14.538 -15.112 -15.613 -16.035 -16.367 -16.601 -16.726 -16.732 -16.612 -16.361 -15.978 -15.468 -14.840 -14.106 -13.282 -12.381 -11.414 -10.385 99999.999 99999.999 99999.999 57.369 48.182 39.877 32.603 26.246 20.660 15.710 11.278 7.272 3.616 0.258 -2.835 -5.679 -8.277 -10.626 -14.446 -15.054 -15.599 -16.077 -16.479 -16.798 -17.028 -17.161 -17.188 -17.106 -16.911 -16.602 -16.183 -15.661 -15.043 -14.338 -13.555 -12.701 -11.778 99999.999 99999.999 57.437 48.279 39.985 32.716 26.363 20.781 15.834 11.409 7.410 3.763 0.415 -2.667 -5.503 -8.096 -10.444 -14.338 -14.972 -15.552 -16.072 -16.528 -16.914 -17.224 -17.453 -17.594 -17.641 -17.593 -17.445 -17.198 -16.855 -16.418 -15.895 -15.289 -14.607 -13.851 -13.024 -12.127 57.501 48.374 40.091 32.827 26.477 20.898 15.956 11.536 7.545 3.907 0.568 -2.505 -5.332 -7.921 -10.272 -14.217 -14.873 -15.480 -16.034 -16.532 -16.970 -17.343 -17.646 -17.874 -18.024 -18.090 -18.071 -17.964 -17.770 -17.489 -17.125 -16.680 -16.157 -15.561 -14.892 -14.153 57.931 49.138 40.981 33.780 27.470 21.928 17.028 12.661 8.736 5.177 1.927 -1.058 -3.805 -6.336 -8.665 -12.759 -13.493 -14.200 -14.880 -15.534 -16.162 -16.764 -17.339 -17.889 -18.411 -18.907 -19.375 -19.815 -20.227 -20.608 -20.960 -21.281 -21.571 -21.828 -22.053 -22.246 58.038 49.627 41.625 34.502 28.243 22.742 17.883 13.563 9.694 6.201 3.025 0.118 -2.553 -5.013 -7.283 -11.315 -12.048 -12.759 -13.449 -14.119 -14.769 -15.400 -16.013 -16.608 -17.187 -17.749 -18.295 -18.826 -19.342 -19.843 -20.330 -20.803 -21.262 -21.708 -22.140 -22.560 57.889 49.898 42.071 35.041 28.841 23.385 18.569 14.293 10.473 7.037 3.923 1.085 -1.516 -3.908 -6.113 -10.039 -10.756 -11.452 -12.128 -12.786 -13.426 -14.049 -14.657 -15.249 -15.827 -16.392 -16.944 -17.484 -18.012 -18.530 -19.038 -19.536 -20.025 -20.506 -20.980 -21.446 57.534 49.991 42.356 35.430 29.297 23.891 19.118 14.884 11.109 7.722 4.664 1.886 -0.652 -2.980 -5.124 -8.936 -9.632 -10.308 -10.965 -11.604 -12.226 -12.832 -13.423 -14.000 -14.563 -15.114 -15.653 -16.181 -16.698 -17.206 -17.705 -18.196 -18.680 -19.156 -19.626 -20.090 57.010 49.937 42.507 35.693 29.634 24.282 19.554 15.362 11.630 8.288 5.279 2.553 0.072 -2.199 -4.285 -7.987 -8.661 -9.316 -9.953 -10.572 -11.174 -11.761 -12.333 -12.891 -13.436 -13.968 -14.489 -14.999 -15.499 -15.990 -16.472 -16.947 -17.414 -17.874 -18.328 -18.777 56.345 49.760 42.545 35.852 29.871 24.577 19.895 15.746 12.054 8.754 5.789 3.111 0.680 -1.539 -3.572 -7.169 -7.823 -8.459 -9.075 -9.675 -10.258 -10.825 -11.378 -11.917 -12.443 -12.956 -13.459 -13.950 -14.432 -14.904 -15.368 -15.823 -16.272 -16.714 -17.149 -17.580 55.561 49.480 42.487 35.920 30.022 24.789 20.156 16.050 12.397 9.136 6.212 3.577 1.191 -0.980 -2.964 -6.465 -7.100 -7.717 -8.315 -8.896 -9.460 -10.009 -10.544 -11.065 -11.572 -12.068 -12.552 -13.026 -13.490 -13.944 -14.390 -14.827 -15.258 -15.682 -16.099 -16.511 99999.999 49.112 42.347 35.911 30.100 24.930 20.348 16.284 12.671 9.448 6.562 3.966 1.622 -0.506 -2.447 -5.858 -6.476 -7.075 -7.655 -8.219 -8.766 -9.298 -9.816 -10.320 -10.811 -11.290 -11.757 -12.214 -12.661 -13.099 -13.528 -13.949 -14.363 -14.770 -15.170 -15.565 cordierite Mg2Al4Si5O18 P-T:All Wt.(g/mol) = 584.970 V(cc/mol) = 233.220 D(g/cc) = 2.508 Ref: H&P2011 5 2.000 10 4.000 8 5.000 7 -2.000 2 -16.000 1 55.575 46.001 37.581 30.256 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.575 46.001 37.581 30.256 23.851 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.580 46.007 37.587 30.262 23.856 18.196 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.589 46.017 37.597 30.272 23.866 18.206 13.141 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.605 46.034 37.614 30.289 23.883 18.224 13.159 8.565 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.630 46.060 37.641 30.315 23.910 18.251 13.187 8.595 4.372 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.667 46.100 37.681 30.356 23.950 18.292 13.229 8.639 4.419 0.471 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.720 46.157 37.738 30.413 24.008 18.350 13.289 8.702 4.486 0.544 -3.229 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.793 46.235 37.817 30.491 24.086 18.429 13.371 8.787 4.577 0.644 -3.114 -6.799 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.888 46.338 37.921 30.595 24.190 18.535 13.479 8.901 4.698 0.777 -2.963 -6.619 -10.233 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.010 46.470 38.055 30.729 24.324 18.670 13.619 9.047 4.854 0.948 -2.768 -6.386 -9.963 -13.357 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.162 46.637 38.224 30.898 24.494 18.843 13.796 9.232 5.051 1.163 -2.523 -6.093 -9.612 -13.062 -15.637 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.277 46.763 38.353 31.027 24.623 18.974 13.931 9.373 5.201 1.326 -2.337 -5.871 -9.341 -12.776 -16.104 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.436 46.940 38.533 31.208 24.805 19.158 14.120 9.571 5.411 1.555 -2.078 -5.561 -8.959 -12.331 -15.935 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.589 47.111 38.708 31.384 24.982 19.337 14.305 9.764 5.616 1.777 -1.827 -5.263 -8.589 -11.874 -15.456 10.222 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.735 47.277 38.879 31.555 25.154 19.513 14.485 9.952 5.815 1.993 -1.584 -4.976 -8.234 -11.424 -14.878 -6.982 0.431 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.875 47.438 39.044 31.723 25.323 19.683 14.661 10.135 6.009 2.202 -1.349 -4.701 -7.895 -10.991 -14.280 -10.980 -8.363 -3.687 3.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.010 47.593 39.206 31.885 25.487 19.850 14.832 10.314 6.198 2.406 -1.122 -4.437 -7.573 -10.581 -13.698 -12.682 -11.565 -9.516 -6.240 -1.757 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.139 47.744 39.362 32.044 25.647 20.013 15.000 10.488 6.382 2.605 -0.903 -4.184 -7.269 -10.195 -13.151 -13.565 -13.123 -12.166 -10.535 -8.109 -4.941 -1.377 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.262 47.890 39.515 32.199 25.804 20.172 15.163 10.658 6.562 2.798 -0.690 -3.941 -6.981 -9.837 -12.648 -14.057 -13.984 -13.587 -12.776 -11.466 -9.608 -7.258 -4.608 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.380 48.031 39.663 32.350 25.956 20.327 15.322 10.824 6.737 2.985 -0.484 -3.709 -6.710 -9.506 -12.193 -14.331 -14.485 -14.415 -14.068 -13.389 -12.329 -10.877 -9.076 -7.043 -4.939 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.493 48.168 39.808 32.497 26.105 20.478 15.478 10.987 6.908 3.168 -0.285 -3.487 -6.455 -9.202 -11.788 -14.470 -14.775 -14.915 -14.856 -14.562 -13.998 -13.140 -11.987 -10.575 -8.976 -7.287 -5.601 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.601 48.301 39.948 32.640 26.250 20.627 15.630 11.145 7.075 3.347 -0.092 -3.274 -6.215 -8.922 -11.430 -14.522 -14.933 -15.216 -15.348 -15.306 -15.064 -14.601 -13.904 -12.980 -11.853 -10.571 -9.193 -7.776 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.703 48.430 40.085 32.780 26.392 20.771 15.779 11.300 7.238 3.520 0.095 -3.069 -5.988 -8.666 -11.117 -14.515 -15.002 -15.386 -15.653 -15.784 -15.762 -15.570 -15.194 -14.629 -13.882 -12.971 -11.927 -10.787 -9.585 -8.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.802 48.554 40.218 32.917 26.531 20.913 15.925 11.451 7.397 3.690 0.277 -2.873 -5.774 -8.430 -10.844 -14.465 -15.010 -15.469 -15.832 -16.088 -16.222 -16.221 -16.075 -15.774 -15.318 -14.711 -13.967 -13.106 -12.150 -11.123 -10.040 99999.999 99999.999 99999.999 99999.999 99999.999 57.895 48.675 40.347 33.050 26.667 21.051 16.067 11.599 7.553 3.855 0.454 -2.683 -5.571 -8.213 -10.605 -14.385 -14.973 -15.489 -15.925 -16.272 -16.521 -16.660 -16.682 -16.577 -16.341 -15.974 -15.479 -14.867 -14.149 -13.341 -12.456 -11.504 -10.492 99999.999 99999.999 99999.999 57.984 48.792 40.473 33.180 26.799 21.186 16.206 11.744 7.705 4.017 0.626 -2.500 -5.377 -8.010 -10.393 -14.283 -14.905 -15.465 -15.956 -16.373 -16.707 -16.951 -17.099 -17.141 -17.074 -16.894 -16.600 -16.197 -15.690 -15.087 -14.398 -13.631 -12.793 -11.886 99999.999 99999.999 58.069 48.905 40.596 33.306 26.928 21.318 16.342 11.885 7.854 4.175 0.794 -2.322 -5.191 -7.819 -10.201 -14.164 -14.813 -15.407 -15.941 -16.412 -16.812 -17.137 -17.379 -17.535 -17.597 -17.563 -17.431 -17.199 -16.871 -16.450 -15.941 -15.351 -14.684 -13.943 -13.132 -12.250 58.149 49.014 40.715 33.430 27.055 21.447 16.475 12.024 8.000 4.329 0.957 -2.149 -5.011 -7.634 -10.019 -14.033 -14.703 -15.324 -15.893 -16.405 -16.857 -17.244 -17.561 -17.804 -17.968 -18.049 -18.045 -17.953 -17.773 -17.508 -17.158 -16.728 -16.221 -15.639 -14.986 -14.262 58.742 49.929 41.747 34.515 28.173 22.596 17.661 13.259 9.298 5.703 2.417 -0.603 -3.387 -5.953 -8.316 -12.478 -13.226 -13.947 -14.641 -15.308 -15.950 -16.565 -17.154 -17.717 -18.253 -18.762 -19.243 -19.697 -20.121 -20.517 -20.882 -21.216 -21.518 -21.789 -22.027 -22.233 59.009 50.567 42.529 35.367 29.069 23.527 18.628 14.269 10.360 6.828 3.613 0.668 -2.040 -4.537 -6.842 -10.944 -11.691 -12.416 -13.120 -13.803 -14.466 -15.110 -15.737 -16.345 -16.937 -17.512 -18.071 -18.615 -19.144 -19.658 -20.157 -20.643 -21.114 -21.572 -22.017 -22.449 59.019 50.984 43.111 36.034 29.788 24.286 19.424 15.104 11.241 7.762 4.607 1.729 -0.911 -3.342 -5.584 -9.582 -10.313 -11.023 -11.713 -12.384 -13.038 -13.675 -14.295 -14.901 -15.492 -16.070 -16.635 -17.187 -17.728 -18.259 -18.779 -19.290 -19.791 -20.284 -20.770 -21.248 58.820 51.221 43.530 36.549 30.363 24.905 20.081 15.799 11.977 8.544 5.442 2.621 0.042 -2.327 -4.510 -8.396 -9.106 -9.796 -10.467 -11.121 -11.756 -12.376 -12.981 -13.571 -14.147 -14.711 -15.263 -15.804 -16.334 -16.855 -17.366 -17.870 -18.365 -18.854 -19.336 -19.812 58.450 51.310 43.814 36.938 30.818 25.408 20.625 16.380 12.596 9.205 6.148 3.378 0.853 -1.460 -3.587 -7.366 -8.055 -8.725 -9.376 -10.009 -10.626 -11.227 -11.812 -12.384 -12.942 -13.488 -14.022 -14.545 -15.058 -15.562 -16.057 -16.544 -17.023 -17.496 -17.962 -18.423 57.938 51.274 43.984 37.220 31.172 25.814 21.072 16.864 13.117 9.764 6.749 4.024 1.546 -0.716 -2.792 -6.470 -7.139 -7.790 -8.421 -9.036 -9.633 -10.215 -10.782 -11.335 -11.875 -12.402 -12.918 -13.422 -13.917 -14.402 -14.879 -15.348 -15.809 -16.263 -16.711 -17.154 57.306 51.133 44.056 37.410 31.439 26.136 21.437 17.268 13.557 10.240 7.262 4.576 2.142 -0.075 -2.104 -5.689 -6.340 -6.972 -7.585 -8.182 -8.761 -9.325 -9.874 -10.410 -10.932 -11.441 -11.939 -12.427 -12.904 -13.372 -13.830 -14.281 -14.725 -15.161 -15.591 -16.015 99999.999 50.903 44.045 37.522 31.630 26.385 21.732 17.601 13.925 10.643 7.700 5.051 2.655 0.478 -1.508 -5.007 -5.641 -6.256 -6.853 -7.432 -7.995 -8.542 -9.075 -9.594 -10.099 -10.593 -11.075 -11.545 -12.006 -12.458 -12.900 -13.335 -13.761 -14.181 -14.595 -15.002 cordierite-Fe Fe2Al4Si5O18 P-T:All Wt.(g/mol) = 648.040 V(cc/mol) = 237.100 D(g/cc) = 2.733 Ref: H&P2011 5 2.000 11 4.000 8 5.000 7 -2.000 2 -16.000 1 50.580 41.465 33.419 26.400 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.580 41.465 33.419 26.401 20.248 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.585 41.470 33.424 26.406 20.253 14.803 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.595 41.481 33.435 26.416 20.263 14.814 9.924 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.611 41.498 33.452 26.433 20.281 14.831 9.942 5.497 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.637 41.525 33.480 26.461 20.308 14.859 9.971 5.526 1.429 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.675 41.566 33.521 26.502 20.349 14.900 10.013 5.571 1.476 -2.365 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.729 41.625 33.579 26.560 20.408 14.959 10.074 5.634 1.544 -2.291 -5.972 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.803 41.704 33.660 26.640 20.488 15.040 10.157 5.721 1.636 -2.190 -5.857 -9.462 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.901 41.809 33.766 26.746 20.593 15.147 10.267 5.836 1.759 -2.056 -5.705 -9.282 -12.828 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.025 41.945 33.903 26.883 20.730 15.286 10.409 5.985 1.916 -1.885 -5.509 -9.049 -12.558 -15.903 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.181 42.115 34.076 27.056 20.903 15.461 10.589 6.172 2.115 -1.668 -5.263 -8.755 -12.207 -15.603 -18.167 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.299 42.245 34.207 27.187 21.035 15.594 10.726 6.315 2.266 -1.503 -5.076 -8.532 -11.936 -15.317 -18.610 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.462 42.426 34.392 27.372 21.220 15.782 10.919 6.515 2.479 -1.273 -4.815 -8.222 -11.554 -14.871 -18.430 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.618 42.601 34.571 27.552 21.401 15.965 11.106 6.711 2.686 -1.048 -4.563 -7.923 -11.184 -14.415 -17.948 7.001 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.769 42.771 34.746 27.728 21.578 16.143 11.289 6.902 2.887 -0.831 -4.319 -7.636 -10.829 -13.966 -17.371 -9.731 -2.534 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.913 42.936 34.916 27.899 21.749 16.318 11.468 7.087 3.083 -0.619 -4.083 -7.359 -10.491 -13.534 -16.775 -13.615 -11.084 -6.552 0.076 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.051 43.095 35.081 28.065 21.917 16.488 11.642 7.269 3.275 -0.413 -3.854 -7.094 -10.169 -13.124 -16.196 -15.262 -14.191 -12.214 -9.045 -4.709 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.184 43.250 35.242 28.228 22.081 16.654 11.813 7.446 3.461 -0.213 -3.633 -6.840 -9.864 -12.740 -15.652 -16.113 -15.698 -14.784 -13.215 -10.874 -7.815 -4.379 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.311 43.400 35.398 28.387 22.241 16.816 11.979 7.619 3.643 -0.018 -3.419 -6.597 -9.576 -12.382 -15.151 -16.583 -16.528 -16.157 -15.386 -14.129 -12.342 -10.079 -7.528 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.432 43.546 35.551 28.541 22.397 16.974 12.141 7.787 3.821 0.172 -3.212 -6.364 -9.304 -12.051 -14.699 -16.841 -17.007 -16.955 -16.634 -15.990 -14.978 -13.585 -11.856 -9.904 -7.887 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.549 43.687 35.699 28.692 22.549 17.129 12.300 7.952 3.994 0.357 -3.011 -6.140 -9.049 -11.747 -14.295 -16.969 -17.281 -17.433 -17.392 -17.123 -16.592 -15.776 -14.674 -13.323 -11.792 -10.176 -8.566 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.660 43.823 35.843 28.839 22.698 17.280 12.455 8.113 4.164 0.537 -2.816 -5.926 -8.807 -11.467 -13.938 -17.011 -17.426 -17.717 -17.862 -17.838 -17.620 -17.187 -16.529 -15.649 -14.575 -13.352 -12.037 -10.685 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.767 43.956 35.984 28.983 22.844 17.428 12.607 8.271 4.329 0.713 -2.627 -5.720 -8.580 -11.210 -13.625 -16.996 -17.485 -17.875 -18.150 -18.294 -18.290 -18.121 -17.773 -17.243 -16.536 -15.672 -14.679 -13.593 -12.450 -11.275 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.868 44.084 36.121 29.123 22.986 17.573 12.755 8.425 4.491 0.884 -2.443 -5.522 -8.365 -10.973 -13.351 -16.940 -17.485 -17.947 -18.317 -18.581 -18.729 -18.746 -18.621 -18.347 -17.923 -17.352 -16.649 -15.833 -14.927 -13.952 -12.923 99999.999 99999.999 99999.999 99999.999 99999.999 52.965 44.209 36.254 29.260 23.125 17.714 12.901 8.575 4.649 1.052 -2.265 -5.331 -8.160 -10.755 -13.111 -16.855 -17.442 -17.959 -18.399 -18.753 -19.011 -19.164 -19.203 -19.119 -18.908 -18.570 -18.109 -17.534 -16.857 -16.093 -15.254 -14.352 -13.390 99999.999 99999.999 99999.999 53.058 44.330 36.384 29.393 23.261 17.852 13.042 8.723 4.803 1.215 -2.091 -5.146 -7.965 -10.551 -12.898 -16.748 -17.368 -17.928 -18.421 -18.843 -19.184 -19.439 -19.600 -19.659 -19.612 -19.455 -19.189 -18.816 -18.343 -17.778 -17.129 -16.404 -15.610 -14.750 99999.999 99999.999 53.146 44.446 36.510 29.524 23.393 17.988 13.181 8.867 4.954 1.375 -1.922 -4.967 -7.778 -10.358 -12.704 -16.625 -17.271 -17.864 -18.399 -18.873 -19.279 -19.611 -19.865 -20.033 -20.112 -20.098 -19.987 -19.781 -19.481 -19.092 -18.617 -18.063 -17.435 -16.736 -15.968 -15.130 53.230 44.560 36.634 29.651 23.523 18.120 13.317 9.008 5.102 1.531 -1.756 -4.793 -7.596 -10.172 -12.520 -16.491 -17.157 -17.776 -18.345 -18.859 -19.315 -19.708 -20.033 -20.287 -20.464 -20.561 -20.575 -20.505 -20.349 -20.110 -19.790 -19.391 -18.918 -18.372 -17.757 -17.072 53.855 45.511 37.701 30.771 24.674 19.299 14.531 10.268 6.423 2.926 -0.279 -3.231 -5.958 -8.477 -10.803 -14.915 -15.657 -16.372 -17.061 -17.725 -18.365 -18.978 -19.567 -20.131 -20.668 -21.180 -21.665 -22.123 -22.554 -22.955 -23.328 -23.671 -23.983 -24.264 -24.514 -24.731 54.154 46.184 38.518 31.656 25.601 20.260 15.526 11.303 7.508 4.071 0.935 -1.943 -4.597 -7.049 -9.318 -13.370 -14.110 -14.829 -15.527 -16.206 -16.865 -17.507 -18.131 -18.738 -19.329 -19.905 -20.465 -21.010 -21.540 -22.057 -22.559 -23.048 -23.524 -23.987 -24.437 -24.874 54.193 46.634 39.133 32.355 26.351 21.047 16.348 12.163 8.411 5.025 1.948 -0.867 -3.454 -5.841 -8.049 -11.998 -12.722 -13.426 -14.111 -14.778 -15.428 -16.062 -16.680 -17.284 -17.874 -18.451 -19.016 -19.569 -20.111 -20.643 -21.165 -21.678 -22.183 -22.679 -23.168 -23.649 54.022 46.903 39.585 32.901 26.955 21.694 17.031 12.882 9.170 5.828 2.801 0.042 -2.486 -4.813 -6.963 -10.803 -11.507 -12.191 -12.857 -13.506 -14.139 -14.756 -15.358 -15.947 -16.522 -17.086 -17.637 -18.179 -18.710 -19.232 -19.745 -20.251 -20.749 -21.240 -21.725 -22.204 53.679 47.023 39.900 33.320 27.439 22.224 17.600 13.486 9.811 6.509 3.526 0.816 -1.660 -3.933 -6.028 -9.763 -10.447 -11.111 -11.758 -12.387 -13.001 -13.599 -14.183 -14.753 -15.311 -15.857 -16.391 -16.915 -17.429 -17.934 -18.431 -18.920 -19.402 -19.877 -20.347 -20.811 53.192 47.017 40.100 33.631 27.820 22.656 18.072 13.994 10.354 7.089 4.146 1.479 -0.951 -3.175 -5.220 -8.857 -9.521 -10.167 -10.795 -11.405 -12.000 -12.580 -13.146 -13.698 -14.237 -14.765 -15.281 -15.787 -16.283 -16.770 -17.249 -17.720 -18.184 -18.641 -19.092 -19.538 52.585 46.906 40.202 33.850 28.115 23.004 18.462 14.421 10.815 7.584 4.677 2.048 -0.339 -2.520 -4.520 -8.066 -8.712 -9.340 -9.950 -10.543 -11.120 -11.683 -12.231 -12.766 -13.288 -13.798 -14.297 -14.786 -15.264 -15.734 -16.196 -16.649 -17.096 -17.535 -17.969 -18.397 99999.999 46.704 40.220 33.990 28.333 23.279 18.780 14.777 11.205 8.007 5.133 2.540 0.189 -1.952 -3.911 -7.373 -8.003 -8.614 -9.207 -9.784 -10.345 -10.892 -11.424 -11.942 -12.448 -12.943 -13.426 -13.898 -14.361 -14.815 -15.261 -15.698 -16.128 -16.552 -16.969 -17.381 cordierite-Mn Mn2Al4Si5O18 P-T:All Wt.(g/mol) = 646.220 V(cc/mol) = 240.270 D(g/cc) = 2.690 Ref: H&P2011 5 2.000 14 4.000 8 5.000 7 -2.000 2 -16.000 1 55.619 46.354 38.195 31.090 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.619 46.354 38.195 31.090 24.870 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.624 46.359 38.200 31.095 24.875 19.373 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.633 46.369 38.210 31.105 24.885 19.383 14.453 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.649 46.386 38.227 31.122 24.902 19.400 14.471 9.994 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.674 46.412 38.254 31.148 24.928 19.427 14.498 10.023 5.903 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.711 46.452 38.294 31.188 24.968 19.467 14.540 10.067 5.950 2.092 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.763 46.508 38.351 31.245 25.025 19.525 14.599 10.129 6.016 2.165 -1.527 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.835 46.586 38.429 31.323 25.103 19.604 14.680 10.214 6.106 2.264 -1.413 -5.023 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.929 46.688 38.532 31.426 25.206 19.708 14.788 10.327 6.226 2.395 -1.263 -4.845 -8.394 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.050 46.819 38.665 31.559 25.339 19.843 14.927 10.471 6.381 2.564 -1.071 -4.616 -8.127 -11.472 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.200 46.984 38.833 31.726 25.508 20.014 15.102 10.655 6.575 2.777 -0.829 -4.326 -7.780 -11.175 -13.747 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.314 47.109 38.960 31.854 25.636 20.143 15.236 10.794 6.724 2.938 -0.645 -4.107 -7.512 -10.891 -14.185 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.471 47.284 39.139 32.034 25.816 20.326 15.423 10.990 6.932 3.165 -0.389 -3.801 -7.134 -10.450 -14.005 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.622 47.454 39.313 32.209 25.992 20.504 15.606 11.181 7.134 3.384 -0.141 -3.506 -6.769 -9.998 -13.527 11.149 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.767 47.618 39.482 32.379 26.163 20.678 15.785 11.367 7.331 3.598 0.099 -3.223 -6.419 -9.554 -12.954 -5.418 1.701 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.905 47.778 39.646 32.545 26.330 20.847 15.959 11.549 7.523 3.805 0.331 -2.951 -6.084 -9.126 -12.363 -9.265 -6.765 -2.285 4.268 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.038 47.932 39.806 32.706 26.493 21.013 16.129 11.726 7.710 4.007 0.556 -2.690 -5.767 -8.721 -11.789 -10.897 -9.842 -7.891 -4.760 -0.474 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.165 48.081 39.962 32.864 26.652 21.174 16.295 11.899 7.893 4.203 0.773 -2.440 -5.466 -8.342 -11.250 -11.740 -11.335 -10.436 -8.887 -6.576 -3.554 -0.162 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.287 48.226 40.113 33.017 26.807 21.332 16.457 12.067 8.070 4.394 0.983 -2.201 -5.182 -7.988 -10.754 -12.205 -12.157 -11.796 -11.037 -9.798 -8.034 -5.800 -3.282 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.404 48.366 40.260 33.167 26.958 21.486 16.615 12.232 8.244 4.580 1.186 -1.972 -4.915 -7.661 -10.306 -12.461 -12.631 -12.585 -12.273 -11.640 -10.644 -9.270 -7.563 -5.637 -3.648 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.515 48.502 40.404 33.313 27.106 21.636 16.769 12.392 8.413 4.761 1.383 -1.752 -4.663 -7.361 -9.907 -12.588 -12.903 -13.059 -13.024 -12.762 -12.241 -11.437 -10.352 -9.019 -7.509 -5.915 -4.328 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.621 48.633 40.543 33.455 27.250 21.783 16.920 12.549 8.579 4.937 1.574 -1.541 -4.425 -7.085 -9.554 -12.631 -13.047 -13.340 -13.489 -13.470 -13.259 -12.835 -12.187 -11.321 -10.262 -9.055 -7.758 -6.426 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.722 48.761 40.678 33.594 27.391 21.926 17.067 12.703 8.740 5.109 1.760 -1.339 -4.201 -6.831 -9.245 -12.616 -13.106 -13.497 -13.775 -13.922 -13.922 -13.759 -13.419 -12.898 -12.202 -11.350 -10.371 -9.301 -8.173 -7.014 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.819 48.884 40.810 33.729 27.529 22.066 17.212 12.853 8.898 5.277 1.939 -1.145 -3.990 -6.599 -8.974 -12.561 -13.106 -13.569 -13.940 -14.207 -14.357 -14.377 -14.258 -13.991 -13.573 -13.012 -12.320 -11.516 -10.622 -9.659 -8.645 99999.999 99999.999 99999.999 99999.999 99999.999 57.911 49.003 40.939 33.861 27.663 22.203 17.353 12.999 9.052 5.440 2.114 -0.957 -3.789 -6.383 -8.738 -12.478 -13.064 -13.582 -14.022 -14.377 -14.637 -14.792 -14.834 -14.754 -14.549 -14.217 -13.764 -13.197 -12.530 -11.776 -10.949 -10.058 -9.109 99999.999 99999.999 99999.999 57.999 49.119 41.064 33.990 27.794 22.337 17.490 13.143 9.203 5.600 2.284 -0.776 -3.597 -6.183 -8.528 -12.373 -12.992 -13.551 -14.044 -14.466 -14.808 -15.064 -15.226 -15.288 -15.245 -15.093 -14.832 -14.466 -14.000 -13.443 -12.802 -12.087 -11.303 -10.453 99999.999 99999.999 58.082 49.231 41.185 34.116 27.923 22.468 17.625 13.283 9.350 5.756 2.450 -0.601 -3.413 -5.993 -8.337 -12.252 -12.897 -13.488 -14.023 -14.496 -14.902 -15.235 -15.489 -15.659 -15.740 -15.728 -15.622 -15.420 -15.125 -14.742 -14.274 -13.728 -13.107 -12.417 -11.657 -10.829 58.161 49.339 41.304 34.239 28.048 22.597 17.757 13.420 9.494 5.909 2.612 -0.430 -3.235 -5.810 -8.156 -12.119 -12.785 -13.402 -13.969 -14.483 -14.938 -15.330 -15.656 -15.910 -16.089 -16.187 -16.203 -16.136 -15.984 -15.749 -15.433 -15.040 -14.573 -14.034 -13.426 -12.749 58.742 50.244 42.326 35.315 29.157 23.736 18.933 14.643 10.779 7.269 4.056 1.099 -1.628 -4.146 -6.469 -10.569 -11.307 -12.019 -12.706 -13.367 -14.002 -14.613 -15.198 -15.758 -16.292 -16.801 -17.283 -17.737 -18.164 -18.563 -18.932 -19.272 -19.582 -19.860 -20.107 -20.322 58.999 50.874 43.100 36.160 30.046 24.659 19.892 15.644 11.831 8.382 5.239 2.357 -0.297 -2.747 -5.011 -9.049 -9.785 -10.501 -11.195 -11.870 -12.526 -13.163 -13.783 -14.386 -14.972 -15.543 -16.098 -16.638 -17.164 -17.675 -18.173 -18.657 -19.128 -19.585 -20.030 -20.462 58.999 51.284 43.677 36.821 30.759 25.412 20.681 16.472 12.704 9.306 6.222 3.405 0.818 -1.566 -3.769 -7.702 -8.422 -9.122 -9.803 -10.466 -11.111 -11.740 -12.354 -12.953 -13.538 -14.110 -14.670 -15.217 -15.754 -16.281 -16.797 -17.304 -17.803 -18.293 -18.776 -19.251 58.793 51.515 44.091 37.331 31.329 26.026 21.333 17.161 13.433 10.081 7.048 4.287 1.760 -0.563 -2.707 -6.531 -7.230 -7.911 -8.573 -9.217 -9.845 -10.457 -11.054 -11.637 -12.208 -12.766 -13.312 -13.848 -14.373 -14.889 -15.397 -15.896 -16.388 -16.873 -17.352 -17.825 58.416 51.599 44.371 37.716 31.780 26.525 21.871 17.737 14.046 10.735 7.748 5.036 2.562 0.293 -1.796 -5.513 -6.193 -6.853 -7.495 -8.120 -8.728 -9.322 -9.900 -10.465 -11.017 -11.557 -12.086 -12.604 -13.112 -13.611 -14.102 -14.585 -15.060 -15.530 -15.993 -16.450 57.898 51.559 44.537 37.995 32.131 26.927 22.315 18.217 14.563 11.289 8.342 5.675 3.247 1.028 -1.011 -4.629 -5.289 -5.929 -6.553 -7.159 -7.748 -8.323 -8.883 -9.430 -9.963 -10.485 -10.996 -11.495 -11.986 -12.466 -12.939 -13.404 -13.861 -14.312 -14.757 -15.196 57.260 51.415 44.607 38.183 32.395 27.246 22.677 18.617 14.998 11.760 8.850 6.222 3.836 1.661 -0.331 -3.858 -4.500 -5.122 -5.728 -6.316 -6.888 -7.445 -7.988 -8.517 -9.033 -9.537 -10.031 -10.513 -10.986 -11.449 -11.904 -12.351 -12.791 -13.224 -13.651 -14.073 99999.999 51.182 44.593 38.292 32.585 27.493 22.969 18.948 15.364 12.160 9.284 6.691 4.344 2.209 0.257 -3.185 -3.810 -4.416 -5.004 -5.576 -6.132 -6.673 -7.199 -7.712 -8.212 -8.700 -9.177 -9.644 -10.101 -10.548 -10.987 -11.418 -11.841 -12.258 -12.669 -13.074 corundum Al2O3 P-T:All Wt.(g/mol) = 101.960 V(cc/mol) = 25.580 D(g/cc) = 3.986 Ref: H&P2011 3 2.000 8 3.000 2 -6.000 1 20.891 17.018 13.701 10.836 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.891 17.018 13.701 10.836 8.332 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.892 17.019 13.702 10.838 8.334 6.114 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.895 17.022 13.705 10.840 8.336 6.117 4.122 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.899 17.026 13.709 10.845 8.341 6.121 4.127 2.310 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.906 17.034 13.716 10.852 8.347 6.128 4.134 2.318 0.641 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.917 17.044 13.726 10.862 8.358 6.139 4.145 2.329 0.654 -0.917 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.932 17.059 13.741 10.877 8.372 6.154 4.161 2.346 0.672 -0.897 -2.398 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.953 17.080 13.762 10.897 8.393 6.174 4.182 2.369 0.697 -0.869 -2.366 -3.826 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.981 17.108 13.789 10.924 8.419 6.202 4.211 2.399 0.730 -0.832 -2.322 -3.773 -5.192 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.017 17.144 13.824 10.958 8.454 6.237 4.247 2.438 0.772 -0.785 -2.267 -3.705 -5.114 -6.416 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.062 17.190 13.869 11.002 8.498 6.282 4.294 2.488 0.825 -0.725 -2.196 -3.618 -5.009 -6.347 -7.251 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.097 17.224 13.903 11.036 8.532 6.316 4.330 2.525 0.866 -0.680 -2.143 -3.552 -4.927 -6.267 -7.506 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.146 17.274 13.952 11.084 8.579 6.364 4.380 2.578 0.924 -0.616 -2.068 -3.460 -4.810 -6.133 -7.510 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.193 17.322 13.999 11.131 8.626 6.412 4.429 2.630 0.980 -0.554 -1.996 -3.371 -4.697 -5.992 -7.377 3.648 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.239 17.369 14.046 11.177 8.672 6.458 4.477 2.681 1.034 -0.493 -1.927 -3.286 -4.587 -5.851 -7.197 -3.739 -0.532 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.285 17.415 14.092 11.222 8.717 6.504 4.524 2.731 1.088 -0.435 -1.859 -3.204 -4.483 -5.714 -7.003 -5.497 -4.342 -2.300 0.700 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.329 17.461 14.137 11.266 8.761 6.549 4.571 2.780 1.140 -0.377 -1.794 -3.126 -4.384 -5.584 -6.813 -6.277 -5.764 -4.850 -3.404 -1.424 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.372 17.505 14.181 11.310 8.805 6.593 4.616 2.827 1.191 -0.322 -1.731 -3.051 -4.291 -5.462 -6.633 -6.705 -6.483 -6.039 -5.303 -4.221 -2.808 -1.203 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.414 17.549 14.224 11.353 8.848 6.636 4.660 2.874 1.241 -0.267 -1.669 -2.979 -4.204 -5.350 -6.468 -6.964 -6.902 -6.700 -6.319 -5.720 -4.882 -3.824 -2.622 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.455 17.592 14.267 11.395 8.890 6.679 4.704 2.920 1.290 -0.214 -1.610 -2.911 -4.122 -5.247 -6.321 -7.128 -7.165 -7.105 -6.925 -6.601 -6.111 -5.447 -4.627 -3.698 -2.727 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.495 17.634 14.309 11.437 8.931 6.720 4.747 2.965 1.337 -0.162 -1.553 -2.846 -4.046 -5.154 -6.191 -7.232 -7.336 -7.368 -7.314 -7.157 -6.883 -6.480 -5.946 -5.297 -4.560 -3.777 -2.987 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.535 17.675 14.350 11.477 8.972 6.762 4.789 3.009 1.384 -0.112 -1.498 -2.784 -3.975 -5.070 -6.079 -7.297 -7.447 -7.543 -7.573 -7.527 -7.394 -7.163 -6.831 -6.397 -5.873 -5.278 -4.636 -3.973 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.573 17.715 14.390 11.517 9.012 6.802 4.831 3.052 1.430 -0.062 -1.444 -2.724 -3.908 -4.993 -5.984 -7.334 -7.519 -7.660 -7.750 -7.780 -7.743 -7.632 -7.441 -7.167 -6.811 -6.383 -5.894 -5.361 -4.799 -4.219 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.611 17.755 14.430 11.557 9.051 6.842 4.871 3.095 1.475 -0.014 -1.391 -2.667 -3.846 -4.924 -5.903 -7.352 -7.563 -7.738 -7.871 -7.956 -7.989 -7.963 -7.873 -7.715 -7.489 -7.196 -6.842 -6.436 -5.988 -5.507 -5.001 99999.999 99999.999 99999.999 99999.999 99999.999 21.647 17.794 14.469 11.596 9.090 6.881 4.912 3.137 1.520 0.033 -1.340 -2.613 -3.787 -4.862 -5.834 -7.355 -7.587 -7.787 -7.953 -8.080 -8.163 -8.199 -8.183 -8.113 -7.984 -7.798 -7.556 -7.261 -6.921 -6.540 -6.126 -5.683 -5.214 99999.999 99999.999 99999.999 21.683 17.833 14.508 11.634 9.128 6.919 4.951 3.178 1.563 0.080 -1.291 -2.560 -3.731 -4.804 -5.775 -7.348 -7.596 -7.816 -8.007 -8.165 -8.287 -8.370 -8.410 -8.405 -8.351 -8.248 -8.096 -7.895 -7.649 -7.361 -7.036 -6.678 -6.288 -5.871 99999.999 99999.999 21.718 17.870 14.546 11.672 9.166 6.957 4.990 3.218 1.605 0.125 -1.242 -2.508 -3.677 -4.750 -5.723 -7.332 -7.593 -7.829 -8.040 -8.222 -8.374 -8.494 -8.577 -8.622 -8.626 -8.589 -8.508 -8.384 -8.217 -8.011 -7.767 -7.488 -7.176 -6.834 -6.462 -6.062 21.753 17.907 14.583 11.709 9.203 6.994 5.028 3.258 1.647 0.170 -1.195 -2.458 -3.626 -4.698 -5.674 -7.310 -7.581 -7.830 -8.057 -8.259 -8.434 -8.582 -8.699 -8.783 -8.833 -8.847 -8.823 -8.762 -8.662 -8.525 -8.352 -8.145 -7.904 -7.633 -7.332 -7.002 22.058 18.247 14.928 12.053 9.546 7.340 5.380 3.622 2.029 0.575 -0.764 -2.002 -3.149 -4.212 -5.194 -6.932 -7.245 -7.546 -7.836 -8.115 -8.383 -8.640 -8.885 -9.119 -9.342 -9.553 -9.752 -9.938 -10.113 -10.274 -10.423 -10.559 -10.681 -10.789 -10.884 -10.965 22.304 18.537 15.229 12.356 9.849 7.644 5.688 3.938 2.359 0.921 -0.397 -1.613 -2.739 -3.783 -4.754 -6.493 -6.812 -7.121 -7.422 -7.715 -7.999 -8.275 -8.544 -8.805 -9.059 -9.307 -9.547 -9.781 -10.008 -10.229 -10.444 -10.653 -10.856 -11.053 -11.245 -11.430 22.505 18.789 15.495 12.626 10.119 7.916 5.963 4.219 2.649 1.224 -0.078 -1.275 -2.382 -3.408 -4.363 -6.080 -6.396 -6.704 -7.004 -7.297 -7.582 -7.860 -8.132 -8.398 -8.657 -8.911 -9.160 -9.404 -9.643 -9.877 -10.107 -10.333 -10.555 -10.773 -10.988 -11.200 22.670 19.011 15.734 12.869 10.365 8.162 6.211 4.471 2.908 1.493 0.204 -0.978 -2.068 -3.078 -4.016 -5.705 -6.017 -6.320 -6.616 -6.905 -7.187 -7.462 -7.732 -7.995 -8.253 -8.505 -8.753 -8.996 -9.235 -9.470 -9.701 -9.928 -10.153 -10.374 -10.592 -10.808 22.805 19.208 15.950 13.092 10.589 8.388 6.439 4.702 3.144 1.737 0.458 -0.712 -1.789 -2.783 -3.706 -5.367 -5.674 -5.972 -6.263 -6.547 -6.825 -7.096 -7.360 -7.620 -7.873 -8.122 -8.366 -8.606 -8.841 -9.072 -9.300 -9.524 -9.746 -9.964 -10.180 -10.393 22.917 19.385 16.147 13.297 10.797 8.597 6.649 4.915 3.361 1.959 0.688 -0.472 -1.537 -2.519 -3.429 -5.063 -5.364 -5.658 -5.944 -6.223 -6.495 -6.761 -7.022 -7.276 -7.525 -7.769 -8.009 -8.244 -8.475 -8.702 -8.925 -9.145 -9.362 -9.575 -9.787 -9.996 23.009 19.546 16.329 13.486 10.990 8.792 6.845 5.113 3.561 2.164 0.899 -0.253 -1.308 -2.279 -3.177 -4.788 -5.084 -5.373 -5.654 -5.929 -6.196 -6.458 -6.713 -6.963 -7.208 -7.448 -7.682 -7.913 -8.139 -8.361 -8.580 -8.795 -9.007 -9.217 -9.423 -9.627 99999.999 19.694 16.498 13.664 11.171 8.974 7.029 5.298 3.749 2.355 1.095 -0.051 -1.099 -2.061 -2.949 -4.538 -4.830 -5.114 -5.391 -5.661 -5.924 -6.182 -6.433 -6.679 -6.919 -7.154 -7.385 -7.611 -7.833 -8.051 -8.265 -8.476 -8.684 -8.889 -9.091 -9.290 corundum-MgSi MgSiO3 P-T:All Wt.(g/mol) = 100.387 V(cc/mol) = 26.350 D(g/cc) = 3.810 Ref: H&P2011 4 1.000 10 1.000 7 -1.000 2 -2.000 1 27.307 24.709 22.468 20.542 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.307 24.709 22.468 20.542 18.876 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.307 24.709 22.468 20.542 18.877 17.423 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.308 24.710 22.469 20.543 18.878 17.424 16.143 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.309 24.711 22.470 20.544 18.879 17.425 16.145 15.005 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.310 24.712 22.472 20.546 18.881 17.428 16.147 15.007 13.982 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.311 24.715 22.475 20.549 18.884 17.431 16.151 15.011 13.986 13.053 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.314 24.718 22.478 20.553 18.888 17.435 16.156 15.017 13.993 13.060 12.199 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.317 24.723 22.483 20.559 18.894 17.442 16.162 15.024 14.001 13.070 12.210 11.401 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.321 24.728 22.490 20.566 18.901 17.450 16.171 15.034 14.012 13.083 12.225 11.420 10.652 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.326 24.735 22.498 20.575 18.911 17.460 16.182 15.046 14.026 13.099 12.245 11.445 10.683 9.959 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.331 24.744 22.508 20.586 18.923 17.473 16.196 15.062 14.043 13.119 12.269 11.475 10.721 9.998 9.353 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.334 24.750 22.516 20.594 18.932 17.482 16.207 15.073 14.056 13.134 12.287 11.498 10.751 10.033 9.328 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.338 24.758 22.525 20.605 18.944 17.495 16.221 15.089 14.074 13.155 12.312 11.529 10.792 10.084 9.365 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.341 24.765 22.534 20.615 18.955 17.508 16.235 15.105 14.091 13.174 12.336 11.559 10.831 10.135 9.427 11.052 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.343 24.772 22.543 20.624 18.966 17.520 16.248 15.119 14.108 13.193 12.358 11.588 10.868 10.185 9.495 9.577 10.094 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.344 24.777 22.550 20.633 18.976 17.531 16.260 15.133 14.124 13.212 12.380 11.614 10.903 10.232 9.563 9.238 9.345 9.628 10.078 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.344 24.782 22.557 20.642 18.985 17.541 16.272 15.146 14.139 13.229 12.400 11.640 10.935 10.275 9.628 9.100 9.078 9.138 9.302 9.561 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.343 24.786 22.563 20.649 18.994 17.551 16.283 15.159 14.153 13.245 12.420 11.664 10.966 10.316 9.688 9.033 8.953 8.920 8.946 9.040 9.193 9.367 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.341 24.789 22.569 20.656 19.002 17.560 16.294 15.171 14.167 13.261 12.439 11.686 10.994 10.353 9.743 8.999 8.888 8.807 8.765 8.766 8.814 8.902 9.008 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.339 24.791 22.574 20.662 19.009 17.569 16.303 15.182 14.180 13.276 12.456 11.708 11.021 10.387 9.792 8.983 8.853 8.745 8.664 8.613 8.596 8.613 8.658 8.719 8.781 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.335 24.793 22.578 20.668 19.016 17.577 16.313 15.193 14.192 13.291 12.473 11.728 11.046 10.418 9.835 8.979 8.836 8.711 8.606 8.523 8.465 8.434 8.428 8.444 8.474 8.509 8.541 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.331 24.794 22.581 20.673 19.023 17.585 16.322 15.203 14.204 13.305 12.489 11.747 11.068 10.447 9.873 8.981 8.830 8.694 8.573 8.469 8.385 8.321 8.279 8.258 8.253 8.261 8.276 8.293 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.326 24.794 22.584 20.678 19.028 17.592 16.330 15.213 14.215 13.318 12.505 11.765 11.089 10.472 9.905 8.988 8.832 8.687 8.555 8.437 8.335 8.250 8.182 8.132 8.098 8.079 8.071 8.072 8.077 8.085 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.320 24.794 22.587 20.682 19.034 17.598 16.338 15.222 14.226 13.330 12.519 11.782 11.109 10.495 9.933 8.998 8.837 8.687 8.547 8.420 8.305 8.204 8.118 8.047 7.990 7.948 7.918 7.899 7.889 7.885 7.887 99999.999 99999.999 99999.999 99999.999 99999.999 27.313 24.793 22.588 20.685 19.039 17.604 16.345 15.231 14.236 13.342 12.533 11.798 11.127 10.516 9.958 9.011 8.847 8.692 8.547 8.412 8.288 8.176 8.077 7.990 7.916 7.855 7.806 7.769 7.742 7.723 7.712 7.708 7.710 99999.999 99999.999 99999.999 27.306 24.792 22.590 20.688 19.043 17.610 16.352 15.239 14.246 13.354 12.546 11.813 11.144 10.535 9.979 9.024 8.858 8.700 8.551 8.411 8.280 8.160 8.051 7.952 7.865 7.790 7.725 7.672 7.629 7.595 7.571 7.554 7.545 7.543 99999.999 99999.999 27.298 24.790 22.590 20.691 19.047 17.615 16.358 15.247 14.255 13.365 12.559 11.827 11.160 10.552 9.998 9.039 8.871 8.710 8.558 8.414 8.279 8.153 8.036 7.928 7.831 7.744 7.667 7.601 7.544 7.497 7.459 7.429 7.408 7.395 7.389 7.392 27.289 24.787 22.591 20.693 19.050 17.620 16.364 15.254 14.264 13.375 12.571 11.841 11.176 10.569 10.015 9.055 8.885 8.723 8.568 8.421 8.282 8.151 8.028 7.914 7.809 7.713 7.627 7.549 7.481 7.422 7.372 7.330 7.297 7.272 7.255 7.246 27.168 24.731 22.567 20.690 19.062 17.645 16.402 15.305 14.329 13.455 12.667 11.953 11.303 10.709 10.167 9.213 9.041 8.874 8.713 8.557 8.407 8.261 8.120 7.984 7.853 7.726 7.604 7.486 7.372 7.263 7.159 7.059 6.963 6.872 6.786 6.704 26.994 24.631 22.504 20.649 19.040 17.637 16.407 15.322 14.359 13.499 12.725 12.025 11.389 10.809 10.279 9.346 9.177 9.014 8.855 8.702 8.553 8.408 8.268 8.131 7.999 7.870 7.745 7.623 7.504 7.389 7.277 7.167 7.061 6.957 6.857 6.758 26.779 24.495 22.408 20.580 18.989 17.601 16.385 15.313 14.363 13.515 12.754 12.067 11.444 10.877 10.359 9.449 9.284 9.125 8.970 8.820 8.675 8.534 8.397 8.263 8.134 8.008 7.885 7.765 7.649 7.535 7.424 7.315 7.209 7.105 7.004 6.905 26.530 24.331 22.287 20.486 18.916 17.544 16.342 15.283 14.345 13.509 12.760 12.085 11.474 10.919 10.413 9.525 9.364 9.209 9.059 8.913 8.771 8.634 8.501 8.371 8.245 8.123 8.004 7.887 7.774 7.664 7.556 7.450 7.347 7.246 7.148 7.051 26.253 24.142 22.144 20.372 18.823 17.469 16.282 15.236 14.309 13.485 12.747 12.084 11.484 10.941 10.446 9.578 9.422 9.270 9.124 8.982 8.844 8.711 8.581 8.456 8.333 8.215 8.099 7.986 7.877 7.770 7.666 7.564 7.464 7.367 7.272 7.178 25.952 23.933 21.982 20.241 18.715 17.378 16.206 15.173 14.259 13.445 12.719 12.066 11.478 10.945 10.460 9.612 9.460 9.312 9.169 9.031 8.897 8.767 8.642 8.519 8.401 8.285 8.173 8.064 7.958 7.855 7.754 7.656 7.559 7.466 7.374 7.284 25.631 23.707 21.804 20.096 18.592 17.275 16.117 15.098 14.196 13.394 12.677 12.035 11.457 10.934 10.459 9.630 9.481 9.337 9.198 9.063 8.933 8.807 8.684 8.565 8.450 8.338 8.229 8.124 8.021 7.921 7.823 7.728 7.635 7.544 7.456 7.369 99999.999 23.465 21.613 19.937 18.458 17.159 16.018 15.012 14.122 13.331 12.625 11.993 11.424 10.911 10.445 9.634 9.489 9.348 9.212 9.081 8.954 8.831 8.711 8.596 8.484 8.375 8.269 8.167 8.067 7.970 7.875 7.783 7.693 7.605 7.520 7.436 cristobalite SiO2 P-T:All Wt.(g/mol) = 60.080 V(cc/mol) = 27.450 D(g/cc) = 2.189 Ref: H&P2011 2 1.000 7 -2.000 2 -3.423 -3.112 -2.894 -2.719 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.423 -3.112 -2.894 -2.719 -2.572 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-2.635 -2.483 -2.352 -2.234 -2.128 -2.032 -1.945 -1.865 -1.794 -1.731 -1.677 -1.633 -1.600 -1.609 -1.629 -1.662 -1.711 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.396 -3.045 -2.810 -2.628 -2.476 -2.344 -2.226 -2.119 -2.023 -1.935 -1.855 -1.783 -1.719 -1.663 -1.618 -1.570 -1.572 -1.580 -1.596 -1.622 -1.658 -1.704 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.396 -3.041 -2.804 -2.621 -2.469 -2.336 -2.218 -2.111 -2.014 -1.926 -1.845 -1.772 -1.707 -1.650 -1.603 -1.545 -1.542 -1.544 -1.551 -1.564 -1.585 -1.613 -1.648 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.398 -3.038 -2.799 -2.615 -2.462 -2.328 -2.210 -2.103 -2.006 -1.917 -1.836 -1.762 -1.696 -1.638 -1.589 -1.523 -1.517 -1.515 -1.516 -1.522 -1.533 -1.550 -1.572 -1.599 -1.630 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.400 -3.035 -2.794 -2.609 -2.455 -2.322 -2.202 -2.095 -1.997 -1.908 -1.827 -1.752 -1.686 -1.626 -1.575 -1.503 -1.495 -1.489 -1.487 -1.488 -1.493 -1.502 -1.515 -1.533 -1.555 -1.580 -1.607 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.402 -3.033 -2.790 -2.604 -2.449 -2.315 -2.195 -2.088 -1.989 -1.900 -1.818 -1.743 -1.675 -1.615 -1.562 -1.485 -1.475 -1.467 -1.462 -1.459 -1.460 -1.464 -1.471 -1.482 -1.496 -1.514 -1.534 -1.555 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.405 -3.031 -2.786 -2.599 -2.443 -2.309 -2.189 -2.080 -1.982 -1.892 -1.809 -1.734 -1.665 -1.604 -1.550 -1.468 -1.457 -1.447 -1.440 -1.434 -1.432 -1.432 -1.435 -1.441 -1.449 -1.461 -1.475 -1.491 -1.508 -1.526 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.408 -3.029 -2.783 -2.594 -2.438 -2.303 -2.182 -2.074 -1.975 -1.884 -1.801 -1.725 -1.656 -1.594 -1.539 -1.453 -1.440 -1.429 -1.419 -1.412 -1.407 -1.404 -1.404 -1.406 -1.410 -1.417 -1.426 -1.437 -1.450 -1.464 -1.479 99999.999 99999.999 99999.999 99999.999 99999.999 -3.412 -3.028 -2.779 -2.590 -2.433 -2.297 -2.176 -2.067 -1.968 -1.877 -1.793 -1.717 -1.647 -1.584 -1.527 -1.438 -1.424 -1.412 -1.401 -1.392 -1.385 -1.380 -1.377 -1.376 -1.377 -1.380 -1.385 -1.392 -1.401 -1.411 -1.422 -1.434 -1.446 99999.999 99999.999 99999.999 -3.417 -3.028 -2.777 -2.586 -2.428 -2.292 -2.170 -2.061 -1.961 -1.870 -1.786 -1.708 -1.638 -1.574 -1.517 -1.424 -1.409 -1.396 -1.384 -1.373 -1.365 -1.358 -1.352 -1.349 -1.347 -1.348 -1.350 -1.354 -1.359 -1.366 -1.374 -1.382 -1.392 -1.401 99999.999 99999.999 -3.421 -3.027 -2.774 -2.582 -2.424 -2.287 -2.165 -2.055 -1.955 -1.863 -1.778 -1.701 -1.629 -1.565 -1.507 -1.411 -1.395 -1.381 -1.368 -1.356 -1.346 -1.338 -1.331 -1.325 -1.321 -1.319 -1.319 -1.320 -1.323 -1.326 -1.331 -1.337 -1.344 -1.351 -1.358 -1.366 -3.427 -3.028 -2.772 -2.579 -2.419 -2.282 -2.160 -2.049 -1.948 -1.856 -1.771 -1.693 -1.621 -1.556 -1.497 -1.398 -1.382 -1.367 -1.353 -1.340 -1.329 -1.319 -1.310 -1.303 -1.298 -1.294 -1.291 -1.290 -1.290 -1.292 -1.294 -1.297 -1.302 -1.307 -1.312 -1.317 -3.502 -3.049 -2.769 -2.562 -2.393 -2.249 -2.121 -2.006 -1.900 -1.803 -1.714 -1.631 -1.553 -1.482 -1.416 -1.298 -1.277 -1.257 -1.237 -1.218 -1.201 -1.183 -1.167 -1.151 -1.136 -1.122 -1.109 -1.096 -1.084 -1.073 -1.062 -1.052 -1.043 -1.034 -1.026 -1.018 -3.611 -3.100 -2.794 -2.570 -2.391 -2.238 -2.104 -1.983 -1.872 -1.771 -1.677 -1.589 -1.507 -1.430 -1.359 -1.229 -1.205 -1.182 -1.159 -1.137 -1.116 -1.095 -1.075 -1.056 -1.037 -1.018 -1.001 -0.983 -0.967 -0.950 -0.935 -0.919 -0.905 -0.890 -0.876 -0.863 -3.748 -3.177 -2.840 -2.599 -2.407 -2.246 -2.104 -1.977 -1.861 -1.754 -1.656 -1.563 -1.477 -1.396 -1.319 -1.180 -1.154 -1.129 -1.104 -1.080 -1.056 -1.033 -1.010 -0.988 -0.967 -0.946 -0.926 -0.906 -0.886 -0.867 -0.848 -0.830 -0.812 -0.795 -0.778 -0.761 -3.907 -3.273 -2.905 -2.645 -2.440 -2.268 -2.119 -1.985 -1.863 -1.751 -1.648 -1.551 -1.460 -1.375 -1.294 -1.146 -1.118 -1.091 -1.064 -1.038 -1.013 -0.988 -0.964 -0.940 -0.916 -0.893 -0.871 -0.849 -0.827 -0.806 -0.786 -0.765 -0.745 -0.726 -0.706 -0.688 -4.086 -3.386 -2.986 -2.705 -2.486 -2.304 -2.146 -2.005 -1.877 -1.759 -1.651 -1.549 -1.454 -1.365 -1.280 -1.124 -1.094 -1.066 -1.038 -1.010 -0.983 -0.957 -0.931 -0.905 -0.880 -0.855 -0.831 -0.808 -0.785 -0.762 -0.739 -0.717 -0.696 -0.674 -0.654 -0.633 -4.280 -3.514 -3.080 -2.778 -2.544 -2.350 -2.183 -2.034 -1.900 -1.777 -1.663 -1.557 -1.458 -1.364 -1.275 -1.111 -1.081 -1.051 -1.021 -0.992 -0.963 -0.935 -0.908 -0.881 -0.855 -0.829 -0.803 -0.778 -0.754 -0.729 -0.706 -0.682 -0.659 -0.636 -0.614 -0.592 -4.489 -3.654 -3.185 -2.862 -2.612 -2.406 -2.230 -2.073 -1.932 -1.803 -1.684 -1.573 -1.469 -1.371 -1.278 -1.107 -1.075 -1.044 -1.013 -0.982 -0.952 -0.923 -0.894 -0.866 -0.838 -0.811 -0.784 -0.758 -0.732 -0.707 -0.682 -0.657 -0.633 -0.609 -0.585 -0.562 99999.999 -3.806 -3.301 -2.955 -2.689 -2.471 -2.284 -2.120 -1.972 -1.836 -1.712 -1.596 -1.487 -1.385 -1.289 -1.110 -1.077 -1.044 -1.012 -0.980 -0.949 -0.918 -0.888 -0.859 -0.830 -0.801 -0.773 -0.746 -0.719 -0.692 -0.666 -0.640 -0.615 -0.590 -0.565 -0.541 cummingtonite Mg7Si8O24H2 P-T:All Wt.(g/mol) = 780.870 V(cc/mol) = 263.300 D(g/cc) = 2.966 Ref: H&P2011 4 7.000 10 8.000 7 -8.000 2 -14.000 1 81.778 72.776 64.807 57.917 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.778 72.776 64.807 57.917 51.961 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.781 72.779 64.810 57.921 51.965 46.779 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.786 72.785 64.817 57.928 51.972 46.786 42.221 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.794 72.796 64.828 57.939 51.984 46.799 42.234 38.165 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.807 72.812 64.846 57.957 52.003 46.818 42.255 38.188 34.512 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.827 72.837 64.872 57.984 52.031 46.847 42.286 38.221 34.548 31.168 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.854 72.871 64.909 58.023 52.071 46.889 42.329 38.268 34.599 31.226 28.043 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.891 72.918 64.959 58.075 52.125 46.945 42.389 38.332 34.669 31.304 28.135 25.060 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.938 72.978 65.025 58.144 52.196 47.019 42.467 38.416 34.761 31.408 28.257 25.209 22.191 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.996 73.054 65.108 58.231 52.286 47.114 42.568 38.524 34.879 31.540 28.412 25.399 22.424 19.508 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 82.064 73.148 65.211 58.339 52.399 47.232 42.693 38.659 35.027 31.705 28.605 25.637 22.722 19.812 17.254 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 82.113 73.216 65.287 58.420 52.484 47.321 42.787 38.760 35.138 31.830 28.751 25.815 22.947 20.076 17.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 82.176 73.309 65.392 58.531 52.600 47.444 42.918 38.901 35.292 32.003 28.952 26.063 23.262 20.467 17.406 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 82.231 73.395 65.490 58.637 52.712 47.562 43.044 39.037 35.441 32.169 29.145 26.298 23.562 20.854 17.871 32.549 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 82.278 73.474 65.583 58.737 52.818 47.674 43.164 39.167 35.583 32.329 29.330 26.523 23.847 21.227 18.379 22.390 26.582 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 82.318 73.547 65.670 58.832 52.919 47.782 43.280 39.292 35.720 32.482 29.507 26.736 24.117 21.581 18.885 20.085 21.443 23.996 27.680 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 82.351 73.614 65.751 58.921 53.015 47.885 43.390 39.412 35.852 32.629 29.677 26.939 24.371 21.914 19.366 19.164 19.631 20.647 22.364 24.710 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 82.377 73.675 65.827 59.006 53.107 47.983 43.496 39.528 35.979 32.771 29.839 27.132 24.610 22.223 19.813 18.731 18.801 19.175 19.942 21.157 22.755 24.485 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 82.396 73.731 65.898 59.086 53.194 48.077 43.598 39.638 36.101 32.907 29.994 27.315 24.833 22.509 20.221 18.527 18.383 18.431 18.722 19.302 20.185 21.319 22.568 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 82.408 73.780 65.964 59.162 53.277 48.166 43.695 39.745 36.218 33.038 30.143 27.489 25.043 22.772 20.588 18.449 18.175 18.035 18.059 18.277 18.711 19.362 20.189 21.112 22.024 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 82.414 73.825 66.025 59.233 53.355 48.252 43.788 39.847 36.331 33.164 30.286 27.654 25.238 23.013 20.915 18.446 18.087 17.829 17.689 17.687 17.842 18.163 18.645 19.259 19.955 20.670 21.348 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 82.414 73.864 66.082 59.299 53.429 48.333 43.877 39.945 36.439 33.285 30.422 27.810 25.421 23.233 21.203 18.490 18.074 17.736 17.489 17.345 17.318 17.419 17.651 18.008 18.469 19.002 19.570 20.138 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 82.408 73.898 66.134 59.361 53.499 48.411 43.962 40.038 36.543 33.401 30.553 27.959 25.592 23.433 21.456 18.564 18.108 17.715 17.394 17.154 17.005 16.955 17.011 17.173 17.435 17.783 18.197 18.653 19.132 19.619 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 82.397 73.927 66.181 59.420 53.566 48.484 44.043 40.128 36.644 33.513 30.678 28.100 25.752 23.616 21.676 18.660 18.175 17.742 17.369 17.061 16.826 16.671 16.600 16.619 16.725 16.915 17.178 17.503 17.874 18.281 18.714 99999.999 99999.999 99999.999 99999.999 99999.999 82.379 73.952 66.224 59.474 53.628 48.554 44.121 40.215 36.740 33.620 30.799 28.235 25.902 23.784 21.869 18.771 18.263 17.802 17.391 17.034 16.737 16.505 16.344 16.255 16.243 16.305 16.439 16.638 16.895 17.201 17.548 17.933 18.354 99999.999 99999.999 99999.999 82.356 73.971 66.263 59.524 53.687 48.620 44.195 40.297 36.832 33.724 30.914 28.363 26.044 23.939 22.039 18.890 18.367 17.884 17.445 17.052 16.710 16.422 16.192 16.024 15.921 15.884 15.911 16.002 16.152 16.356 16.609 16.908 17.250 17.635 99999.999 99999.999 82.328 73.987 66.298 59.571 53.742 48.683 44.266 40.377 36.921 33.823 31.025 28.487 26.179 24.085 22.194 19.016 18.481 17.982 17.522 17.102 16.726 16.396 16.115 15.887 15.714 15.599 15.541 15.541 15.598 15.709 15.872 16.083 16.342 16.646 16.996 17.394 82.294 73.997 66.329 59.614 53.794 48.743 44.333 40.452 37.006 33.919 31.132 28.605 26.308 24.223 22.338 19.147 18.603 18.092 17.615 17.175 16.773 16.411 16.092 15.818 15.591 15.414 15.289 15.215 15.194 15.224 15.304 15.433 15.610 15.834 16.104 16.421 81.699 73.886 66.441 59.860 54.138 49.170 44.840 41.042 37.686 34.696 32.014 29.593 27.400 25.408 23.598 20.456 19.896 19.358 18.839 18.341 17.862 17.401 16.960 16.537 16.132 15.745 15.377 15.028 14.698 14.387 14.096 13.826 13.577 13.348 13.142 12.957 80.705 73.435 66.250 59.827 54.218 49.342 45.095 41.379 38.106 35.205 32.615 30.289 28.191 26.291 24.566 21.568 21.031 20.513 20.013 19.529 19.062 18.609 18.171 17.747 17.335 16.937 16.550 16.175 15.811 15.458 15.116 14.783 14.461 14.149 13.846 13.552 79.394 72.714 65.815 59.569 54.086 49.310 45.151 41.516 38.324 35.505 33.000 30.761 28.750 26.935 25.294 22.450 21.942 21.452 20.978 20.521 20.079 19.650 19.235 18.833 18.442 18.063 17.694 17.334 16.984 16.642 16.309 15.983 15.664 15.352 15.045 14.745 77.825 71.771 65.181 59.126 53.780 49.112 45.044 41.492 38.379 35.639 33.213 31.054 29.123 27.389 25.826 23.132 22.652 22.190 21.745 21.315 20.900 20.498 20.110 19.733 19.368 19.014 18.670 18.335 18.008 17.690 17.378 17.074 16.776 16.484 16.197 15.915 76.043 70.645 64.380 58.529 53.329 48.775 44.803 41.335 38.301 35.636 33.285 31.202 29.346 27.687 26.198 23.645 23.193 22.758 22.340 21.937 21.548 21.172 20.810 20.459 20.120 19.791 19.472 19.162 18.861 18.567 18.281 18.001 17.728 17.459 17.197 16.938 74.082 69.363 63.439 57.802 52.755 48.320 44.447 41.066 38.111 35.520 33.241 31.229 29.445 27.856 26.436 24.017 23.591 23.182 22.789 22.411 22.047 21.697 21.359 21.033 20.718 20.413 20.119 19.833 19.555 19.286 19.023 18.767 18.518 18.274 18.035 17.800 71.969 67.948 62.376 56.962 52.075 47.765 43.994 40.701 37.825 35.308 33.099 31.155 29.438 27.915 26.561 24.269 23.867 23.483 23.114 22.759 22.419 22.092 21.777 21.474 21.182 20.901 20.629 20.365 20.110 19.863 19.623 19.390 19.162 18.940 18.724 18.511 99999.999 66.419 61.209 56.024 51.302 47.121 43.455 40.253 37.457 35.013 32.873 30.995 29.342 27.882 26.590 24.418 24.040 23.678 23.332 23.000 22.682 22.377 22.084 21.803 21.532 21.272 21.021 20.778 20.544 20.318 20.098 19.885 19.679 19.477 19.281 19.089 cuprite Cu2O P-T:All Wt.(g/mol) = 143.080 V(cc/mol) = 23.440 D(g/cc) = 6.104 Ref: H&P2011 3 2.000 16 1.000 2 -2.000 1 -2.287 -1.861 -1.460 -1.083 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.287 -1.861 -1.460 -1.083 -0.729 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.286 -1.860 -1.460 -1.083 -0.729 -0.397 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.285 -1.859 -1.459 -1.082 -0.728 -0.396 -0.086 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.284 -1.858 -1.457 -1.081 -0.727 -0.395 -0.085 0.204 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.281 -1.855 -1.455 -1.079 -0.725 -0.393 -0.083 0.206 0.475 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.277 -1.852 -1.452 -1.075 -0.722 -0.390 -0.080 0.209 0.478 0.725 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.270 -1.846 -1.447 -1.071 -0.718 -0.386 -0.076 0.213 0.482 0.730 0.955 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.262 -1.839 -1.440 -1.065 -0.712 -0.381 -0.071 0.218 0.487 0.736 0.961 1.161 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.251 -1.829 -1.432 -1.057 -0.704 -0.373 -0.064 0.226 0.495 0.743 0.970 1.171 1.344 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.237 -1.817 -1.420 -1.046 -0.694 -0.364 -0.054 0.235 0.504 0.754 0.981 1.185 1.360 1.506 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.219 -1.801 -1.406 -1.033 -0.682 -0.352 -0.043 0.247 0.516 0.766 0.995 1.201 1.381 1.531 1.650 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.206 -1.789 -1.395 -1.023 -0.672 -0.343 -0.034 0.256 0.525 0.776 1.006 1.214 1.397 1.551 1.659 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.187 -1.772 -1.380 -1.009 -0.659 -0.330 -0.021 0.268 0.538 0.789 1.021 1.231 1.419 1.579 1.690 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.168 -1.756 -1.365 -0.994 -0.645 -0.317 -0.008 0.281 0.551 0.802 1.035 1.248 1.440 1.606 1.727 2.803 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.150 -1.740 -1.350 -0.981 -0.633 -0.305 0.004 0.293 0.563 0.815 1.049 1.264 1.460 1.632 1.764 2.452 2.689 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.133 -1.724 -1.335 -0.967 -0.620 -0.292 0.016 0.305 0.575 0.828 1.062 1.280 1.478 1.657 1.800 2.371 2.511 2.687 2.875 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.116 -1.709 -1.321 -0.954 -0.607 -0.280 0.027 0.316 0.587 0.840 1.075 1.294 1.496 1.680 1.833 2.342 2.450 2.575 2.717 2.866 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.100 -1.694 -1.308 -0.941 -0.595 -0.269 0.039 0.327 0.598 0.852 1.088 1.308 1.513 1.701 1.863 2.333 2.426 2.527 2.640 2.762 2.887 2.998 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.084 -1.680 -1.294 -0.929 -0.583 -0.257 0.050 0.338 0.609 0.863 1.100 1.322 1.529 1.721 1.891 2.331 2.417 2.506 2.603 2.706 2.814 2.923 3.025 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.069 -1.666 -1.281 -0.916 -0.572 -0.246 0.061 0.349 0.620 0.874 1.112 1.335 1.544 1.739 1.916 2.335 2.415 2.498 2.585 2.676 2.772 2.870 2.969 3.062 3.145 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.054 -1.652 -1.268 -0.904 -0.560 -0.235 0.071 0.360 0.631 0.885 1.124 1.348 1.558 1.756 1.939 2.341 2.419 2.497 2.578 2.662 2.749 2.838 2.929 3.020 3.107 3.188 3.260 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.039 -1.638 -1.256 -0.892 -0.549 -0.224 0.082 0.370 0.641 0.896 1.135 1.360 1.571 1.771 1.958 2.349 2.425 2.501 2.578 2.656 2.737 2.820 2.904 2.990 3.074 3.157 3.235 3.308 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.025 -1.625 -1.243 -0.881 -0.538 -0.214 0.092 0.381 0.652 0.906 1.146 1.371 1.584 1.786 1.976 2.358 2.432 2.506 2.581 2.656 2.733 2.811 2.890 2.970 3.051 3.131 3.210 3.287 3.360 3.430 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.011 -1.612 -1.231 -0.869 -0.527 -0.203 0.102 0.391 0.662 0.917 1.157 1.383 1.596 1.799 1.992 2.368 2.441 2.513 2.586 2.659 2.733 2.807 2.883 2.959 3.036 3.113 3.190 3.266 3.341 3.414 3.485 99999.999 99999.999 99999.999 99999.999 99999.999 -1.998 -1.599 -1.219 -0.858 -0.516 -0.193 0.112 0.400 0.672 0.927 1.167 1.393 1.608 1.811 2.006 2.378 2.450 2.522 2.593 2.665 2.736 2.808 2.881 2.954 3.028 3.102 3.176 3.250 3.324 3.397 3.469 3.540 3.611 99999.999 99999.999 99999.999 -1.985 -1.587 -1.208 -0.847 -0.506 -0.183 0.122 0.410 0.681 0.937 1.177 1.404 1.619 1.823 2.018 2.388 2.460 2.531 2.601 2.671 2.742 2.812 2.882 2.953 3.024 3.095 3.167 3.239 3.311 3.383 3.454 3.526 3.597 3.668 99999.999 99999.999 -1.972 -1.575 -1.196 -0.836 -0.496 -0.173 0.132 0.420 0.691 0.946 1.187 1.414 1.629 1.834 2.030 2.399 2.470 2.540 2.610 2.679 2.748 2.817 2.886 2.955 3.024 3.093 3.162 3.232 3.302 3.372 3.442 3.512 3.583 3.654 3.725 3.797 -1.960 -1.563 -1.185 -0.826 -0.485 -0.163 0.141 0.429 0.700 0.956 1.197 1.424 1.640 1.845 2.040 2.409 2.480 2.550 2.619 2.688 2.756 2.824 2.891 2.959 3.026 3.094 3.161 3.229 3.297 3.365 3.433 3.502 3.571 3.640 3.710 3.781 -1.855 -1.459 -1.084 -0.730 -0.393 -0.075 0.228 0.514 0.785 1.041 1.284 1.514 1.732 1.940 2.138 2.509 2.580 2.649 2.717 2.784 2.850 2.915 2.979 3.042 3.104 3.165 3.226 3.286 3.344 3.403 3.460 3.518 3.575 3.631 3.687 3.743 -1.777 -1.374 -1.000 -0.648 -0.315 0.002 0.302 0.587 0.857 1.114 1.358 1.590 1.810 2.020 2.221 2.596 2.667 2.737 2.806 2.874 2.941 3.006 3.071 3.134 3.196 3.257 3.318 3.377 3.435 3.492 3.549 3.604 3.659 3.713 3.766 3.818 -1.720 -1.305 -0.930 -0.578 -0.247 0.068 0.367 0.650 0.920 1.177 1.422 1.655 1.877 2.089 2.291 2.671 2.743 2.814 2.884 2.952 3.020 3.086 3.152 3.216 3.279 3.341 3.402 3.462 3.521 3.579 3.636 3.692 3.747 3.802 3.855 3.907 -1.680 -1.249 -0.869 -0.517 -0.187 0.127 0.424 0.707 0.976 1.233 1.478 1.712 1.935 2.148 2.352 2.736 2.809 2.881 2.951 3.021 3.089 3.156 3.223 3.288 3.352 3.415 3.477 3.538 3.598 3.657 3.715 3.772 3.828 3.883 3.937 3.990 -1.654 -1.203 -0.817 -0.464 -0.133 0.179 0.476 0.758 1.027 1.283 1.528 1.763 1.987 2.201 2.407 2.793 2.867 2.939 3.011 3.081 3.150 3.218 3.285 3.351 3.416 3.480 3.543 3.604 3.665 3.725 3.784 3.842 3.899 3.955 4.010 4.064 -1.639 -1.166 -0.772 -0.417 -0.086 0.226 0.522 0.804 1.072 1.328 1.574 1.808 2.033 2.248 2.455 2.844 2.918 2.991 3.063 3.134 3.204 3.273 3.340 3.407 3.472 3.537 3.601 3.663 3.725 3.786 3.845 3.904 3.962 4.019 4.075 4.130 -1.634 -1.135 -0.734 -0.375 -0.043 0.269 0.565 0.846 1.114 1.370 1.615 1.850 2.075 2.291 2.499 2.890 2.965 3.038 3.111 3.182 3.252 3.321 3.390 3.457 3.523 3.588 3.652 3.716 3.778 3.839 3.900 3.959 4.017 4.075 4.132 4.187 99999.999 -1.110 -0.700 -0.337 -0.003 0.309 0.604 0.885 1.152 1.408 1.653 1.888 2.114 2.330 2.538 2.931 3.007 3.080 3.153 3.225 3.296 3.366 3.434 3.502 3.569 3.634 3.699 3.763 3.825 3.887 3.948 4.008 4.067 4.125 4.183 4.239 cymrite-K KAlSi3O9H2 P-T:All Wt.(g/mol) = 296.342 V(cc/mol) = 114.380 D(g/cc) = 2.591 Ref: H&P2011 5 1.000 12 1.000 8 3.000 7 -3.000 2 -4.000 1 5.288 4.306 3.320 2.428 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.288 4.306 3.320 2.428 1.638 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.289 4.307 3.322 2.429 1.640 0.940 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.290 4.309 3.324 2.432 1.642 0.943 0.316 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.293 4.313 3.328 2.436 1.646 0.947 0.321 -0.249 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.297 4.318 3.334 2.442 1.653 0.954 0.328 -0.242 -0.771 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.303 4.326 3.343 2.451 1.662 0.964 0.338 -0.231 -0.759 -1.263 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.312 4.338 3.355 2.464 1.676 0.978 0.353 -0.215 -0.743 -1.245 -1.743 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.323 4.353 3.372 2.482 1.694 0.997 0.373 -0.194 -0.720 -1.220 -1.714 -2.223 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.337 4.373 3.395 2.506 1.718 1.022 0.399 -0.166 -0.690 -1.186 -1.676 -2.177 -2.703 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.354 4.399 3.423 2.535 1.749 1.054 0.433 -0.131 -0.651 -1.144 -1.627 -2.119 -2.634 -3.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.375 4.430 3.458 2.572 1.788 1.094 0.475 -0.086 -0.603 -1.091 -1.566 -2.045 -2.544 -3.067 -3.488 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.389 4.452 3.483 2.600 1.816 1.124 0.506 -0.052 -0.567 -1.051 -1.520 -1.990 -2.477 -2.991 -3.542 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.407 4.483 3.519 2.638 1.856 1.166 0.550 -0.006 -0.516 -0.995 -1.456 -1.914 -2.382 -2.876 -3.465 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.422 4.511 3.552 2.673 1.894 1.205 0.592 0.039 -0.468 -0.942 -1.396 -1.841 -2.291 -2.762 -3.333 1.816 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.435 4.537 3.583 2.707 1.930 1.243 0.633 0.082 -0.421 -0.891 -1.337 -1.772 -2.205 -2.652 -3.187 -1.414 0.021 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.445 4.560 3.612 2.740 1.964 1.280 0.671 0.124 -0.377 -0.841 -1.281 -1.706 -2.123 -2.547 -3.041 -2.136 -1.606 -0.693 0.613 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.453 4.582 3.640 2.770 1.997 1.314 0.708 0.163 -0.334 -0.794 -1.228 -1.643 -2.046 -2.448 -2.901 -2.425 -2.176 -1.755 -1.109 -0.246 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.458 4.601 3.665 2.799 2.028 1.347 0.744 0.201 -0.292 -0.748 -1.176 -1.583 -1.973 -2.355 -2.770 -2.563 -2.438 -2.221 -1.880 -1.395 -0.779 -0.100 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.461 4.619 3.689 2.826 2.057 1.379 0.777 0.238 -0.252 -0.705 -1.127 -1.526 -1.905 -2.270 -2.650 -2.629 -2.572 -2.457 -2.268 -1.989 -1.611 -1.148 -0.636 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.462 4.634 3.711 2.851 2.085 1.409 0.810 0.273 -0.214 -0.663 -1.080 -1.472 -1.841 -2.191 -2.542 -2.657 -2.640 -2.584 -2.480 -2.316 -2.085 -1.784 -1.423 -1.025 -0.619 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.460 4.648 3.731 2.875 2.112 1.438 0.841 0.307 -0.178 -0.622 -1.035 -1.420 -1.781 -2.118 -2.445 -2.660 -2.670 -2.652 -2.599 -2.506 -2.365 -2.172 -1.927 -1.638 -1.319 -0.987 -0.660 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.456 4.660 3.749 2.897 2.137 1.465 0.870 0.339 -0.142 -0.583 -0.992 -1.371 -1.725 -2.051 -2.360 -2.649 -2.677 -2.684 -2.666 -2.617 -2.534 -2.413 -2.250 -2.049 -1.812 -1.551 -1.274 -0.993 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.450 4.670 3.766 2.918 2.160 1.491 0.899 0.370 -0.108 -0.546 -0.950 -1.325 -1.672 -1.991 -2.284 -2.628 -2.669 -2.694 -2.698 -2.681 -2.637 -2.564 -2.459 -2.322 -2.153 -1.956 -1.738 -1.503 -1.259 -1.009 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.443 4.678 3.782 2.938 2.182 1.516 0.926 0.399 -0.076 -0.510 -0.910 -1.281 -1.622 -1.935 -2.218 -2.600 -2.651 -2.688 -2.710 -2.713 -2.697 -2.658 -2.594 -2.504 -2.387 -2.244 -2.078 -1.892 -1.690 -1.475 -1.251 99999.999 99999.999 99999.999 99999.999 99999.999 5.433 4.685 3.796 2.956 2.203 1.539 0.951 0.428 -0.045 -0.476 -0.872 -1.239 -1.576 -1.884 -2.160 -2.568 -2.626 -2.672 -2.706 -2.725 -2.729 -2.714 -2.680 -2.624 -2.546 -2.446 -2.324 -2.181 -2.021 -1.844 -1.655 -1.452 -1.239 99999.999 99999.999 99999.999 5.421 4.690 3.808 2.972 2.223 1.561 0.976 0.455 -0.015 -0.443 -0.836 -1.198 -1.532 -1.836 -2.109 -2.533 -2.596 -2.649 -2.692 -2.723 -2.741 -2.745 -2.732 -2.702 -2.654 -2.587 -2.500 -2.394 -2.271 -2.131 -1.975 -1.805 -1.622 -1.426 99999.999 99999.999 5.408 4.693 3.819 2.988 2.241 1.582 0.999 0.481 0.014 -0.411 -0.801 -1.160 -1.490 -1.791 -2.062 -2.496 -2.562 -2.621 -2.671 -2.711 -2.740 -2.757 -2.761 -2.750 -2.725 -2.683 -2.624 -2.549 -2.457 -2.349 -2.225 -2.087 -1.934 -1.768 -1.588 -1.393 5.392 4.695 3.829 3.002 2.259 1.602 1.021 0.505 0.042 -0.380 -0.767 -1.123 -1.450 -1.749 -2.018 -2.457 -2.527 -2.589 -2.644 -2.691 -2.728 -2.756 -2.772 -2.777 -2.768 -2.747 -2.710 -2.659 -2.594 -2.513 -2.417 -2.307 -2.183 -2.046 -1.894 -1.729 5.150 4.639 3.857 3.079 2.371 1.742 1.187 0.696 0.260 -0.133 -0.489 -0.815 -1.113 -1.385 -1.634 -2.066 -2.142 -2.215 -2.285 -2.352 -2.415 -2.476 -2.533 -2.587 -2.638 -2.685 -2.728 -2.768 -2.804 -2.836 -2.863 -2.886 -2.903 -2.916 -2.924 -2.926 4.769 4.464 3.779 3.059 2.391 1.793 1.266 0.801 0.391 0.025 -0.304 -0.601 -0.871 -1.117 -1.342 -1.733 -1.804 -1.872 -1.937 -2.001 -2.062 -2.121 -2.179 -2.235 -2.289 -2.342 -2.393 -2.442 -2.490 -2.537 -2.582 -2.626 -2.668 -2.709 -2.749 -2.787 4.279 4.195 3.616 2.961 2.337 1.774 1.276 0.839 0.454 0.113 -0.189 -0.460 -0.704 -0.925 -1.125 -1.472 -1.535 -1.595 -1.653 -1.709 -1.763 -1.816 -1.867 -1.917 -1.966 -2.014 -2.061 -2.106 -2.151 -2.196 -2.239 -2.282 -2.325 -2.367 -2.409 -2.450 3.699 3.849 3.384 2.798 2.223 1.698 1.231 0.821 0.462 0.146 -0.132 -0.378 -0.598 -0.794 -0.971 -1.274 -1.328 -1.380 -1.430 -1.478 -1.524 -1.569 -1.613 -1.656 -1.697 -1.738 -1.778 -1.817 -1.855 -1.893 -1.931 -1.968 -2.005 -2.041 -2.078 -2.115 3.046 3.439 3.094 2.582 2.059 1.573 1.139 0.758 0.424 0.133 -0.121 -0.344 -0.540 -0.714 -0.868 -1.129 -1.174 -1.218 -1.260 -1.300 -1.339 -1.377 -1.413 -1.448 -1.482 -1.515 -1.548 -1.579 -1.611 -1.641 -1.672 -1.702 -1.732 -1.762 -1.792 -1.822 2.331 2.975 2.755 2.320 1.851 1.408 1.008 0.656 0.349 0.082 -0.149 -0.349 -0.523 -0.675 -0.808 -1.028 -1.066 -1.102 -1.136 -1.169 -1.200 -1.230 -1.259 -1.287 -1.314 -1.340 -1.365 -1.390 -1.414 -1.438 -1.461 -1.484 -1.507 -1.530 -1.553 -1.576 1.562 2.465 2.373 2.019 1.607 1.208 0.843 0.521 0.240 -0.002 -0.210 -0.388 -0.541 -0.672 -0.785 -0.966 -0.996 -1.024 -1.051 -1.077 -1.101 -1.124 -1.146 -1.167 -1.187 -1.206 -1.225 -1.243 -1.260 -1.277 -1.294 -1.311 -1.327 -1.343 -1.360 -1.376 99999.999 1.914 1.955 1.683 1.331 0.977 0.649 0.358 0.104 -0.114 -0.299 -0.456 -0.588 -0.699 -0.792 -0.936 -0.959 -0.980 -1.000 -1.019 -1.037 -1.053 -1.068 -1.082 -1.096 -1.109 -1.121 -1.133 -1.144 -1.154 -1.165 -1.175 -1.186 -1.196 -1.206 -1.217 deerite Fe18Si12O50H10 P-T:All Wt.(g/mol) = 2152.330 V(cc/mol) = 557.400 D(g/cc) = 3.861 Ref: H&P2011 5 18.000 11 12.000 7 -1.000 2 1.500 31 -36.000 1 43.450 34.942 27.292 20.710 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.450 34.942 27.292 20.710 15.069 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.456 34.949 27.300 20.717 15.076 10.194 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.468 34.962 27.313 20.731 15.091 10.209 5.911 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.488 34.984 27.336 20.755 15.114 10.234 5.937 2.073 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.520 35.020 27.373 20.792 15.152 10.273 5.978 2.117 -1.440 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.566 35.073 27.428 20.847 15.209 10.331 6.039 2.182 -1.368 -4.747 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.632 35.148 27.505 20.926 15.289 10.414 6.126 2.276 -1.266 -4.632 -7.982 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.721 35.249 27.610 21.033 15.398 10.527 6.245 2.403 -1.126 -4.475 -7.796 -11.257 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.835 35.381 27.748 21.174 15.542 10.676 6.402 2.571 -0.943 -4.268 -7.552 -10.955 -14.575 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.978 35.549 27.924 21.354 15.726 10.866 6.602 2.786 -0.708 -4.004 -7.240 -10.568 -14.101 -17.705 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.152 35.756 28.142 21.578 15.956 11.104 6.853 3.055 -0.414 -3.673 -6.851 -10.084 -13.492 -17.111 -19.982 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.278 35.909 28.305 21.746 16.129 11.284 7.042 3.258 -0.193 -3.424 -6.558 -9.720 -13.028 -16.579 -20.471 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.446 36.119 28.529 21.978 16.368 11.533 7.305 3.540 0.116 -3.078 -6.151 -9.217 -12.381 -15.776 -19.957 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.599 36.316 28.743 22.200 16.598 11.772 7.559 3.812 0.413 -2.745 -5.762 -8.736 -11.762 -14.973 -19.012 21.388 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.738 36.501 28.945 22.412 16.818 12.003 7.802 4.074 0.699 -2.424 -5.389 -8.278 -11.173 -14.195 -17.948 -2.932 8.101 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.863 36.675 29.137 22.614 17.029 12.223 8.037 4.326 0.975 -2.116 -5.031 -7.843 -10.617 -13.455 -16.879 -8.634 -4.351 2.754 12.502 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.974 36.837 29.319 22.807 17.231 12.436 8.262 4.569 1.241 -1.820 -4.689 -7.429 -10.093 -12.761 -15.856 -11.009 -8.873 -5.441 -0.358 6.193 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.073 36.988 29.492 22.991 17.424 12.639 8.479 4.803 1.497 -1.534 -4.361 -7.037 -9.602 -12.116 -14.907 -12.201 -11.031 -9.148 -6.344 -2.490 2.253 7.278 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.159 37.129 29.655 23.166 17.609 12.835 8.688 5.029 1.743 -1.259 -4.047 -6.664 -9.142 -11.522 -14.042 -12.832 -12.187 -11.098 -9.446 -7.122 -4.092 -0.483 3.372 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.232 37.260 29.808 23.333 17.786 13.022 8.888 5.246 1.981 -0.995 -3.746 -6.311 -8.714 -10.978 -13.268 -13.152 -12.828 -12.202 -11.203 -9.756 -7.810 -5.365 -2.517 0.534 3.533 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.294 37.380 29.953 23.492 17.955 13.202 9.081 5.455 2.211 -0.740 -3.457 -5.977 -8.315 -10.482 -12.583 -13.284 -13.171 -12.840 -12.244 -11.336 -10.070 -8.424 -6.411 -4.102 -1.621 0.882 3.268 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.344 37.491 30.089 23.642 18.117 13.375 9.266 5.656 2.432 -0.494 -3.181 -5.660 -7.943 -10.033 -11.985 -13.294 -13.327 -13.195 -12.867 -12.309 -11.489 -10.381 -8.976 -7.292 -5.378 -3.313 -1.188 0.912 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.382 37.593 30.217 23.785 18.271 13.540 9.445 5.850 2.645 -0.258 -2.915 -5.359 -7.597 -9.626 -11.467 -13.224 -13.361 -13.369 -13.226 -12.909 -12.393 -11.656 -10.684 -9.475 -8.045 -6.428 -4.675 -2.842 -0.980 0.875 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.410 37.685 30.337 23.920 18.418 13.698 9.616 6.037 2.850 -0.030 -2.661 -5.073 -7.274 -9.256 -11.020 -13.097 -13.312 -13.422 -13.412 -13.265 -12.963 -12.489 -11.829 -10.974 -9.925 -8.695 -7.307 -5.793 -4.189 -2.525 -0.823 99999.999 99999.999 99999.999 99999.999 99999.999 45.428 37.769 30.449 24.048 18.558 13.850 9.780 6.217 3.049 0.190 -2.416 -4.801 -6.971 -8.920 -10.634 -12.932 -13.204 -13.390 -13.478 -13.456 -13.310 -13.028 -12.596 -12.005 -11.249 -10.332 -9.261 -8.053 -6.727 -5.305 -3.805 -2.240 -0.615 99999.999 99999.999 99999.999 45.435 37.844 30.553 24.169 18.691 13.995 9.938 6.390 3.240 0.402 -2.181 -4.540 -6.686 -8.611 -10.298 -12.738 -13.054 -13.298 -13.460 -13.531 -13.502 -13.362 -13.100 -12.708 -12.178 -11.508 -10.699 -9.757 -8.692 -7.516 -6.243 -4.882 -3.441 -1.921 99999.999 99999.999 45.432 37.911 30.650 24.283 18.818 14.134 10.089 6.556 3.424 0.607 -1.954 -4.291 -6.415 -8.322 -9.997 -12.525 -12.875 -13.162 -13.381 -13.524 -13.583 -13.550 -13.418 -13.177 -12.822 -12.346 -11.749 -11.030 -10.193 -9.245 -8.192 -7.042 -5.800 -4.470 -3.053 -1.545 45.419 37.970 30.740 24.391 18.939 14.266 10.235 6.716 3.601 0.804 -1.735 -4.050 -6.155 -8.048 -9.717 -12.298 -12.674 -12.995 -13.257 -13.455 -13.583 -13.633 -13.600 -13.477 -13.257 -12.935 -12.508 -11.972 -11.329 -10.580 -9.729 -8.778 -7.732 -6.595 -5.366 -4.047 44.809 38.154 31.277 25.134 19.830 15.287 11.385 8.009 5.056 2.440 0.097 -2.018 -3.934 -5.665 -7.221 -9.840 -10.289 -10.714 -11.116 -11.494 -11.849 -12.181 -12.488 -12.772 -13.030 -13.262 -13.468 -13.645 -13.792 -13.909 -13.993 -14.043 -14.057 -14.035 -13.975 -13.875 43.457 37.720 31.266 25.372 20.244 15.844 12.077 8.837 6.030 3.574 1.402 -0.536 -2.274 -3.838 -5.242 -7.632 -8.051 -8.453 -8.838 -9.208 -9.562 -9.903 -10.231 -10.547 -10.850 -11.143 -11.424 -11.695 -11.956 -12.207 -12.448 -12.679 -12.900 -13.112 -13.315 -13.508 41.517 36.794 30.816 25.206 20.278 16.037 12.409 9.304 6.635 4.323 2.305 0.526 -1.051 -2.455 -3.708 -5.825 -6.196 -6.551 -6.891 -7.219 -7.534 -7.838 -8.132 -8.416 -8.693 -8.961 -9.224 -9.480 -9.731 -9.977 -10.220 -10.460 -10.697 -10.932 -11.166 -11.399 39.101 35.467 30.009 24.712 20.003 15.933 12.452 9.481 6.944 4.768 2.889 1.256 -0.173 -1.430 -2.538 -4.383 -4.702 -5.006 -5.298 -5.577 -5.844 -6.102 -6.350 -6.590 -6.822 -7.049 -7.269 -7.486 -7.698 -7.908 -8.115 -8.321 -8.526 -8.732 -8.938 -9.145 36.295 33.811 28.905 23.945 19.472 15.584 12.255 9.422 7.014 4.966 3.218 1.719 0.426 -0.694 -1.667 -3.253 -3.521 -3.776 -4.019 -4.249 -4.469 -4.679 -4.880 -5.074 -5.260 -5.441 -5.616 -5.787 -5.955 -6.121 -6.284 -6.447 -6.609 -6.772 -6.935 -7.101 33.163 31.878 27.553 22.948 18.724 15.028 11.858 9.164 6.885 4.960 3.335 1.961 0.794 -0.198 -1.045 -2.385 -2.607 -2.815 -3.010 -3.195 -3.369 -3.533 -3.689 -3.838 -3.980 -4.116 -4.247 -4.374 -4.498 -4.619 -4.739 -4.857 -4.976 -5.095 -5.214 -5.336 29.756 29.712 25.988 21.754 17.791 14.296 11.290 8.738 6.588 4.784 3.277 2.020 0.971 0.097 -0.632 -1.742 -1.918 -2.081 -2.233 -2.374 -2.505 -2.627 -2.740 -2.846 -2.946 -3.040 -3.130 -3.215 -3.298 -3.378 -3.456 -3.533 -3.610 -3.688 -3.766 -3.846 99999.999 27.345 24.241 20.390 16.699 13.412 10.575 8.167 6.146 4.463 3.070 1.924 0.986 0.223 -0.395 -1.288 -1.422 -1.544 -1.655 -1.754 -1.845 -1.926 -2.000 -2.067 -2.127 -2.183 -2.233 -2.280 -2.324 -2.366 -2.406 -2.445 -2.484 -2.523 -2.564 -2.606 deerite Fe18Si12O50H10 P-T:All Wt.(g/mol) = 2152.330 V(cc/mol) = 557.400 D(g/cc) = 3.861 Ref: H&P2011 6 18.000 11 12.000 7 -1.000 2 0.750 4 -35.250 1 -0.750 6 157.524 138.679 122.122 107.795 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 157.524 138.679 122.122 107.795 95.355 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 157.532 138.688 122.130 107.804 95.364 84.458 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 157.546 138.703 122.146 107.820 95.380 84.474 74.792 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 157.569 138.729 122.172 107.846 95.407 84.502 74.821 66.105 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 157.607 138.771 122.215 107.889 95.450 84.546 74.867 66.154 58.192 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 157.663 138.832 122.278 107.953 95.515 84.612 74.936 66.228 58.272 50.861 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 157.742 138.920 122.367 108.043 95.606 84.706 75.034 66.332 58.386 50.989 43.916 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 157.849 139.039 122.489 108.166 95.731 84.834 75.168 66.475 58.541 51.163 44.121 37.187 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 157.988 139.194 122.649 108.328 95.895 85.003 75.344 66.663 58.745 51.392 44.391 37.522 30.615 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 158.164 139.392 122.854 108.535 96.106 85.219 75.570 66.903 59.007 51.686 44.736 37.949 31.147 24.357 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 158.379 139.639 123.109 108.795 96.370 85.491 75.855 67.206 59.336 52.053 45.168 38.484 31.824 25.067 18.919 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 158.537 139.823 123.301 108.990 96.569 85.696 76.069 67.435 59.584 52.331 45.492 38.886 32.338 25.678 18.634 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 158.751 140.076 123.567 109.262 96.847 85.982 76.369 67.754 59.931 52.717 45.943 39.442 33.053 26.580 19.349 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 158.950 140.316 123.821 109.523 97.114 86.258 76.658 68.062 60.265 53.089 46.375 39.972 33.735 27.472 20.449 53.394 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 159.134 140.545 124.064 109.774 97.371 86.525 76.937 68.360 60.588 53.448 46.790 40.478 34.383 28.331 21.642 30.682 39.977 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 159.304 140.761 124.297 110.014 97.619 86.782 77.207 68.648 60.899 53.794 47.189 40.960 34.996 29.145 22.823 25.451 28.433 34.049 42.025 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 159.461 140.966 124.519 110.246 97.858 87.029 77.468 68.925 61.201 54.128 47.571 41.419 35.573 29.908 23.944 23.346 24.322 26.521 30.257 35.305 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 159.605 141.160 124.732 110.468 98.087 87.268 77.719 69.194 61.492 54.450 47.938 41.855 36.115 30.617 24.983 22.346 22.425 23.183 24.811 27.413 30.811 34.401 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 159.735 141.343 124.934 110.681 98.309 87.499 77.962 69.454 61.773 54.760 48.291 42.269 36.623 31.271 25.929 21.867 21.460 21.483 22.046 23.242 25.094 27.467 30.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 159.854 141.515 125.127 110.885 98.521 87.721 78.197 69.705 62.045 55.060 48.629 42.663 37.098 31.872 26.777 21.673 20.972 20.569 20.530 20.919 21.782 23.110 24.802 26.663 28.445 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 159.960 141.678 125.312 111.081 98.726 87.936 78.423 69.947 62.308 55.350 48.954 43.037 37.542 32.420 27.530 21.650 20.757 20.085 19.676 19.572 19.812 20.415 21.361 22.579 23.949 25.325 26.578 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 160.054 141.830 125.487 111.268 98.923 88.142 78.642 70.182 62.563 55.630 49.267 43.393 37.957 32.921 28.191 21.735 20.712 19.860 19.207 18.783 18.617 18.730 19.127 19.790 20.668 21.685 22.754 23.797 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 160.138 141.973 125.654 111.448 99.112 88.342 78.854 70.409 62.809 55.900 49.567 43.732 38.346 33.376 28.768 21.893 20.776 19.798 18.978 18.337 17.894 17.671 17.676 17.912 18.361 18.988 19.746 20.582 21.449 22.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 160.210 142.107 125.812 111.620 99.294 88.534 79.058 70.628 63.048 56.162 49.857 44.055 38.709 33.791 29.270 22.098 20.914 19.846 18.907 18.112 17.476 17.014 16.739 16.656 16.763 17.048 17.488 18.053 18.709 19.431 20.202 99999.999 99999.999 99999.999 99999.999 99999.999 160.271 142.232 125.963 111.784 99.469 88.719 79.255 70.840 63.278 56.415 50.136 44.364 39.051 34.172 29.707 22.337 21.103 19.968 18.942 18.036 17.260 16.626 16.145 15.825 15.669 15.675 15.835 16.132 16.549 17.066 17.669 18.348 19.101 99999.999 99999.999 99999.999 160.323 142.348 126.105 111.941 99.637 88.897 79.445 71.045 63.501 56.659 50.405 44.660 39.375 34.524 30.092 22.599 21.327 20.143 19.053 18.064 17.184 16.423 15.790 15.292 14.934 14.718 14.644 14.705 14.893 15.195 15.602 16.106 16.701 17.388 99999.999 99999.999 160.364 142.455 126.240 112.092 99.799 89.069 79.629 71.244 63.717 56.896 50.665 44.944 39.683 34.853 30.439 22.877 21.577 20.355 19.216 18.164 17.207 16.351 15.603 14.969 14.455 14.066 13.803 13.665 13.649 13.751 13.963 14.281 14.701 15.220 15.840 16.566 160.395 142.555 126.368 112.235 99.953 89.234 79.807 71.435 63.927 57.126 50.917 45.219 39.980 35.168 30.764 23.165 21.844 20.593 19.417 18.318 17.302 16.373 15.537 14.799 14.164 13.638 13.224 12.922 12.734 12.657 12.691 12.831 13.074 13.421 13.870 14.424 160.217 143.137 127.278 113.328 101.178 90.574 81.267 73.032 65.683 59.065 53.057 47.570 42.536 37.907 33.647 26.107 24.740 23.418 22.137 20.898 19.698 18.539 17.418 16.335 15.291 14.286 13.321 12.395 11.511 10.668 9.868 9.113 8.403 7.740 7.125 6.559 159.288 143.090 127.624 113.902 101.910 91.437 82.252 74.146 66.938 60.478 54.644 49.338 44.488 40.039 35.946 28.680 27.356 26.071 24.821 23.606 22.424 21.274 20.153 19.060 17.994 16.954 15.939 14.947 13.979 13.033 12.109 11.206 10.324 9.463 8.621 7.800 157.763 142.541 127.523 114.062 102.251 91.922 82.865 74.885 67.809 61.490 55.808 50.663 45.978 41.693 37.761 30.794 29.526 28.294 27.097 25.932 24.799 23.695 22.618 21.567 20.540 19.536 18.553 17.590 16.646 15.719 14.808 13.913 13.032 12.164 11.309 10.465 155.758 141.584 127.055 113.884 102.274 92.101 83.179 75.324 68.373 62.184 56.639 51.639 47.103 42.969 39.186 32.507 31.294 30.117 28.974 27.863 26.782 25.731 24.706 23.706 22.729 21.774 20.840 19.925 19.028 18.146 17.280 16.427 15.587 14.759 13.941 13.133 153.357 140.290 126.284 113.426 102.032 92.027 83.245 75.518 68.688 62.622 57.203 52.334 47.935 43.938 40.292 33.882 32.722 31.597 30.506 29.447 28.418 27.417 26.442 25.493 24.567 23.662 22.778 21.913 21.065 20.233 19.416 18.613 17.822 17.042 16.273 15.513 150.627 138.714 125.257 112.731 101.569 91.739 83.104 75.505 68.796 62.847 57.547 52.800 48.525 44.655 41.136 34.976 33.865 32.789 31.746 30.735 29.754 28.801 27.874 26.972 26.094 25.237 24.400 23.582 22.782 21.997 21.228 20.472 19.729 18.997 18.276 17.563 147.618 136.901 124.014 111.834 100.914 91.270 82.786 75.319 68.730 62.895 57.707 53.073 48.914 45.161 41.760 35.833 34.767 33.736 32.739 31.773 30.836 29.927 29.044 28.187 27.352 26.539 25.746 24.971 24.215 23.474 22.749 22.037 21.337 20.650 19.972 19.305 99999.999 134.884 122.583 110.763 100.095 90.643 82.315 74.982 68.514 62.792 57.713 53.186 49.134 45.490 42.198 36.487 35.464 34.476 33.520 32.595 31.700 30.832 29.991 29.173 28.379 27.606 26.853 26.119 25.402 24.701 24.016 23.344 22.684 22.036 21.399 20.771 diaspore AlO2H P-T:All Wt.(g/mol) = 59.990 V(cc/mol) = 17.860 D(g/cc) = 3.359 Ref: H&P2011 3 1.000 8 2.000 2 -3.000 1 8.120 6.487 5.094 3.895 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.120 6.487 5.094 3.895 2.852 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.120 6.488 5.094 3.896 2.852 1.930 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.122 6.489 5.095 3.897 2.853 1.931 1.103 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.123 6.491 5.097 3.899 2.855 1.933 1.105 0.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.127 6.494 5.100 3.902 2.858 1.936 1.108 0.354 -0.344 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.131 6.499 5.105 3.907 2.863 1.940 1.113 0.359 -0.338 -0.994 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.138 6.505 5.111 3.913 2.869 1.947 1.120 0.366 -0.330 -0.985 -1.616 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.147 6.514 5.120 3.922 2.878 1.956 1.129 0.377 -0.319 -0.972 -1.601 -2.219 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.159 6.526 5.132 3.934 2.890 1.968 1.142 0.390 -0.304 -0.955 -1.581 -2.195 -2.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.306 6.678 5.283 4.083 3.040 2.121 1.301 0.560 -0.119 -0.749 -1.338 -1.893 -2.420 -2.923 -3.447 -3.013 -2.725 -2.237 -1.483 -0.462 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.324 6.697 5.302 4.102 3.058 2.140 1.321 0.581 -0.097 -0.724 -1.309 -1.859 -2.376 -2.866 -3.361 -3.231 -3.089 -2.836 -2.438 -1.867 -1.130 -0.298 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.341 6.715 5.320 4.120 3.077 2.159 1.341 0.601 -0.074 -0.699 -1.281 -1.826 -2.335 -2.813 -3.282 -3.365 -3.303 -3.171 -2.950 -2.622 -2.173 -1.615 -0.986 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-0.862 -0.850 -0.839 -0.829 -0.819 -0.811 99999.999 -5.193 -4.567 -4.039 -3.590 -3.207 -2.876 -2.591 -2.342 -2.125 -1.934 -1.767 -1.620 -1.489 -1.374 -1.184 -1.151 -1.120 -1.090 -1.062 -1.036 -1.011 -0.987 -0.964 -0.943 -0.923 -0.904 -0.886 -0.870 -0.854 -0.839 -0.826 -0.813 -0.801 -0.790 -0.780 diamond C P-T:All Wt.(g/mol) = 12.010 V(cc/mol) = 3.420 D(g/cc) = 3.512 Ref: H&P2011 4 1.000 5 1.000 1 -1.000 31 -1.000 2 70.914 64.681 59.288 54.579 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.914 64.681 59.288 54.579 50.426 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.915 64.682 59.289 54.580 50.426 46.728 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.916 64.683 59.290 54.581 50.428 46.729 43.405 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.918 64.685 59.292 54.583 50.429 46.731 43.406 40.393 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.922 64.688 59.295 54.586 50.432 46.734 43.410 40.396 37.641 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.927 64.693 59.299 54.590 50.437 46.738 43.414 40.401 37.646 35.104 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.935 64.700 59.306 54.596 50.443 46.744 43.421 40.408 37.654 35.113 32.743 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.945 64.709 59.315 54.605 50.451 46.753 43.430 40.418 37.665 35.126 32.758 30.518 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.959 64.722 59.327 54.617 50.463 46.764 43.442 40.431 37.679 35.142 32.778 30.545 28.387 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.977 64.739 59.342 54.632 50.478 46.779 43.457 40.447 37.697 35.162 32.803 30.578 28.438 26.290 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.001 64.760 59.362 54.651 50.497 46.799 43.477 40.468 37.720 35.189 32.835 30.619 28.498 26.399 24.076 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.018 64.776 59.378 54.666 50.511 46.813 43.492 40.484 37.738 35.209 32.858 30.650 28.541 26.471 24.276 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.044 64.799 59.400 54.687 50.532 46.835 43.514 40.507 37.762 35.236 32.891 30.691 28.598 26.561 24.470 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.069 64.823 59.421 54.708 50.553 46.855 43.535 40.529 37.787 35.264 32.923 30.731 28.652 26.641 24.617 18.746 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.094 64.846 59.443 54.729 50.574 46.876 43.556 40.552 37.810 35.290 32.954 30.769 28.701 26.712 24.737 20.419 18.959 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.119 64.868 59.464 54.750 50.594 46.896 43.577 40.573 37.834 35.316 32.984 30.805 28.747 26.777 24.840 20.899 19.897 18.688 17.178 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.144 64.891 59.486 54.770 50.614 46.916 43.598 40.595 37.857 35.341 33.013 30.839 28.791 26.836 24.930 21.172 20.316 19.375 18.304 17.065 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.169 64.913 59.507 54.790 50.634 46.936 43.618 40.616 37.879 35.366 33.041 30.872 28.832 26.891 25.010 21.362 20.578 19.750 18.858 17.880 16.797 15.612 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.193 64.935 59.528 54.810 50.654 46.956 43.638 40.637 37.901 35.390 33.068 30.904 28.872 26.942 25.082 21.510 20.768 20.002 19.200 18.352 17.442 16.464 15.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.217 64.957 59.548 54.830 50.673 46.975 43.658 40.657 37.923 35.414 33.094 30.935 28.909 26.990 25.148 21.632 20.918 20.190 19.443 18.667 17.856 17.001 16.099 15.153 14.173 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.241 64.979 59.569 54.850 50.692 46.995 43.677 40.678 37.945 35.437 33.120 30.965 28.944 27.034 25.207 21.736 21.042 20.341 19.629 18.900 18.149 17.371 16.562 15.720 14.849 13.955 13.048 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.265 65.001 59.589 54.870 50.712 47.014 43.697 40.698 37.966 35.460 33.146 30.994 28.978 27.076 25.262 21.827 21.148 20.467 19.780 19.083 18.373 17.646 16.898 16.128 15.336 14.523 13.697 12.862 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.288 65.022 59.610 54.889 50.731 47.033 43.716 40.717 37.987 35.482 33.170 31.022 29.011 27.116 25.312 21.908 21.242 20.576 19.907 19.234 18.553 17.862 17.157 16.437 15.702 14.951 14.187 13.415 12.639 11.865 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 71.311 65.044 59.630 54.908 50.749 47.051 43.735 40.737 38.007 35.504 33.194 31.049 29.042 27.153 25.359 21.982 21.325 20.671 20.017 19.362 18.703 18.038 17.365 16.682 15.988 15.284 14.569 13.847 13.119 12.392 11.668 99999.999 99999.999 99999.999 99999.999 99999.999 71.335 65.065 59.650 54.928 50.768 47.070 43.754 40.756 38.027 35.526 33.218 31.075 29.072 27.189 25.403 22.049 21.401 20.756 20.115 19.474 18.832 18.187 17.537 16.882 16.220 15.551 14.874 14.191 13.504 12.816 12.129 11.447 10.774 99999.999 99999.999 99999.999 71.358 65.086 59.669 54.947 50.787 47.088 43.772 40.775 38.047 35.547 33.241 31.101 29.102 27.223 25.444 22.111 21.470 20.834 20.202 19.572 18.944 18.315 17.684 17.051 16.413 15.771 15.124 14.473 13.819 13.164 12.509 11.858 11.212 10.574 99999.999 99999.999 71.380 65.107 59.689 54.965 50.805 47.107 43.791 40.794 38.067 35.568 33.264 31.126 29.130 27.255 25.482 22.169 21.534 20.905 20.281 19.661 19.044 18.428 17.812 17.196 16.577 15.957 15.334 14.708 14.081 13.453 12.826 12.201 11.580 10.966 10.360 9.765 71.403 65.128 59.709 54.984 50.823 47.125 43.809 40.813 38.087 35.589 33.286 31.150 29.157 27.287 25.519 22.224 21.594 20.971 20.354 19.742 19.134 18.529 17.925 17.323 16.720 16.117 15.513 14.909 14.303 13.698 13.093 12.491 11.893 11.300 10.714 10.136 71.622 65.328 59.897 55.165 50.999 47.298 43.983 40.990 38.270 35.781 33.491 31.372 29.401 27.558 25.827 22.642 22.043 21.454 20.876 20.307 19.746 19.195 18.651 18.114 17.584 17.061 16.543 16.032 15.526 15.025 14.529 14.039 13.553 13.073 12.597 12.127 71.828 65.517 60.075 55.335 51.164 47.460 44.144 41.153 38.436 35.953 33.671 31.563 29.606 27.780 26.070 22.941 22.356 21.783 21.221 20.670 20.129 19.597 19.076 18.563 18.058 17.562 17.073 16.592 16.118 15.651 15.190 14.736 14.288 13.846 13.410 12.980 72.023 65.697 60.244 55.496 51.320 47.613 44.295 41.304 38.589 36.110 33.834 31.733 29.785 27.971 26.274 23.181 22.604 22.040 21.487 20.946 20.416 19.896 19.386 18.886 18.395 17.912 17.438 16.972 16.514 16.063 15.620 15.183 14.753 14.330 13.913 13.502 72.210 65.868 60.405 55.650 51.468 47.758 44.438 41.446 38.732 36.256 33.983 31.887 29.946 28.140 26.453 23.384 22.812 22.254 21.708 21.173 20.650 20.138 19.635 19.143 18.660 18.186 17.721 17.264 16.815 16.374 15.941 15.515 15.096 14.683 14.277 13.878 72.390 66.034 60.560 55.797 51.610 47.896 44.574 41.581 38.868 36.392 34.122 32.030 30.093 28.293 26.613 23.561 22.994 22.440 21.898 21.369 20.850 20.343 19.845 19.358 18.881 18.413 17.954 17.503 17.061 16.627 16.200 15.781 15.368 14.963 14.564 14.172 72.564 66.193 60.709 55.939 51.747 48.029 44.704 41.710 38.996 36.521 34.253 32.163 30.230 28.434 26.759 23.721 23.157 22.606 22.067 21.541 21.026 20.522 20.029 19.546 19.072 18.608 18.154 17.707 17.270 16.840 16.418 16.003 15.596 15.196 14.802 14.415 72.734 66.348 60.854 56.077 51.879 48.157 44.830 41.834 39.119 36.644 34.376 32.288 30.358 28.565 26.895 23.866 23.304 22.756 22.220 21.696 21.184 20.683 20.192 19.712 19.242 18.781 18.329 17.886 17.452 17.026 16.607 16.196 15.793 15.396 15.006 14.623 99999.999 66.500 60.995 56.210 52.007 48.281 44.951 41.953 39.236 36.761 34.494 32.407 30.479 28.688 27.021 24.000 23.440 22.893 22.359 21.837 21.327 20.828 20.340 19.862 19.394 18.936 18.487 18.046 17.615 17.191 16.775 16.367 15.966 15.572 15.185 14.804 diopside CaMgSi2O6 Ssln ID, Coef: 5 1.000 P-T:All Wt.(g/mol) = 216.560 V(cc/mol) = 66.190 D(g/cc) = 3.272 Ref: H&P2011 5 1.000 9 1.000 10 2.000 7 -2.000 2 -4.000 1 24.055 21.674 19.565 17.735 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.055 21.674 19.565 17.735 16.146 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.056 21.675 19.566 17.736 16.147 14.756 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.058 21.677 19.568 17.738 16.149 14.757 13.526 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.060 21.679 19.571 17.741 16.152 14.761 13.529 12.426 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.064 21.684 19.575 17.746 16.157 14.766 13.535 12.431 11.429 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.069 21.690 19.582 17.753 16.164 14.773 13.542 12.440 11.438 10.512 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.077 21.699 19.592 17.763 16.174 14.784 13.554 12.452 11.451 10.527 9.652 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.087 21.712 19.605 17.776 16.188 14.798 13.569 12.468 11.469 10.547 9.676 8.827 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.101 21.728 19.622 17.794 16.206 14.817 13.589 12.490 11.493 10.574 9.707 8.866 8.030 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.118 21.748 19.644 17.816 16.229 14.841 13.614 12.517 11.523 10.607 9.747 8.915 8.091 7.272 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.138 21.773 19.671 17.844 16.258 14.872 13.646 12.551 11.560 10.650 9.796 8.976 8.168 7.356 6.603 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.152 21.792 19.691 17.865 16.280 14.894 13.670 12.577 11.589 10.682 9.833 9.022 8.227 7.426 6.585 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.171 21.817 19.718 17.894 16.310 14.926 13.704 12.613 11.628 10.726 9.885 9.086 8.308 7.529 6.673 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.187 21.840 19.744 17.921 16.339 14.956 13.736 12.648 11.666 10.768 9.934 9.146 8.386 7.630 6.799 9.958 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.202 21.861 19.768 17.947 16.366 14.985 13.767 12.681 11.702 10.809 9.982 9.204 8.459 7.727 6.933 7.662 8.566 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.215 21.881 19.791 17.972 16.392 15.012 13.796 12.713 11.737 10.848 10.027 9.259 8.528 7.818 7.065 7.144 7.409 7.940 8.707 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.226 21.900 19.813 17.995 16.417 15.039 13.824 12.744 11.771 10.886 10.070 9.311 8.594 7.904 7.190 6.944 7.005 7.191 7.533 8.005 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.235 21.917 19.833 18.017 16.440 15.064 13.851 12.773 11.803 10.922 10.112 9.360 8.655 7.984 7.306 6.854 6.826 6.867 6.996 7.223 7.530 7.853 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.243 21.932 19.851 18.038 16.463 15.088 13.877 12.801 11.834 10.957 10.152 9.407 8.713 8.058 7.411 6.817 6.740 6.708 6.730 6.816 6.969 7.173 7.395 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.248 21.946 19.869 18.058 16.484 15.111 13.902 12.828 11.864 10.990 10.190 9.451 8.766 8.126 7.506 6.808 6.702 6.627 6.589 6.595 6.649 6.750 6.887 7.040 7.184 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.252 21.959 19.885 18.076 16.504 15.133 13.926 12.854 11.893 11.022 10.226 9.494 8.817 8.188 7.590 6.816 6.691 6.590 6.515 6.472 6.464 6.493 6.556 6.647 6.752 6.858 6.950 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.255 21.970 19.900 18.093 16.523 15.153 13.949 12.879 11.921 11.053 10.261 9.534 8.864 8.244 7.665 6.834 6.697 6.578 6.479 6.404 6.356 6.336 6.346 6.382 6.440 6.511 6.588 6.661 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.256 21.980 19.914 18.110 16.541 15.173 13.970 12.903 11.947 11.083 10.294 9.572 8.907 8.296 7.730 6.858 6.712 6.581 6.467 6.371 6.295 6.243 6.213 6.207 6.223 6.257 6.304 6.359 6.417 6.475 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.255 21.988 19.927 18.125 16.559 15.192 13.991 12.926 11.973 11.111 10.326 9.608 8.949 8.343 7.787 6.887 6.735 6.596 6.470 6.359 6.265 6.188 6.131 6.094 6.077 6.077 6.094 6.123 6.161 6.207 6.257 99999.999 99999.999 99999.999 99999.999 99999.999 24.254 21.996 19.939 18.139 16.575 15.210 14.011 12.948 11.997 11.138 10.357 9.642 8.987 8.387 7.838 6.919 6.763 6.617 6.483 6.361 6.254 6.161 6.084 6.023 5.980 5.953 5.943 5.946 5.962 5.988 6.023 6.066 6.118 99999.999 99999.999 99999.999 24.250 22.002 19.949 18.152 16.590 15.227 14.030 12.969 12.021 11.165 10.387 9.675 9.024 8.427 7.882 6.953 6.793 6.643 6.503 6.374 6.256 6.151 6.059 5.982 5.919 5.871 5.837 5.818 5.811 5.817 5.833 5.860 5.897 5.943 99999.999 99999.999 24.245 22.007 19.959 18.165 16.604 15.243 14.048 12.989 12.043 11.190 10.415 9.707 9.058 8.465 7.922 6.989 6.826 6.673 6.528 6.393 6.268 6.154 6.051 5.961 5.883 5.818 5.766 5.727 5.701 5.687 5.685 5.694 5.714 5.744 5.786 5.838 24.239 22.011 19.967 18.176 16.618 15.258 14.065 13.009 12.065 11.215 10.442 9.737 9.092 8.500 7.960 7.024 6.860 6.704 6.556 6.417 6.287 6.166 6.055 5.954 5.865 5.787 5.720 5.666 5.623 5.592 5.572 5.564 5.567 5.581 5.606 5.642 24.111 21.995 20.002 18.243 16.707 15.368 14.195 13.159 12.238 11.413 10.667 9.989 9.371 8.805 8.287 7.373 7.208 7.048 6.893 6.744 6.599 6.459 6.323 6.192 6.066 5.944 5.827 5.714 5.606 5.502 5.404 5.310 5.222 5.139 5.061 4.988 23.881 21.891 19.960 18.238 16.730 15.413 14.260 13.245 12.345 11.542 10.820 10.167 9.573 9.032 8.536 7.662 7.504 7.351 7.202 7.057 6.917 6.781 6.648 6.519 6.393 6.271 6.152 6.035 5.922 5.811 5.703 5.598 5.495 5.395 5.298 5.202 23.569 21.718 19.855 18.175 16.698 15.406 14.275 13.280 12.400 11.618 10.917 10.287 9.715 9.196 8.722 7.890 7.739 7.594 7.452 7.315 7.182 7.053 6.927 6.804 6.685 6.568 6.455 6.344 6.235 6.129 6.024 5.922 5.822 5.724 5.627 5.532 23.190 21.489 19.700 18.066 16.622 15.357 14.248 13.274 12.414 11.651 10.971 10.361 9.810 9.311 8.858 8.065 7.922 7.784 7.650 7.520 7.394 7.272 7.153 7.038 6.926 6.816 6.709 6.605 6.503 6.403 6.306 6.210 6.116 6.023 5.932 5.842 22.757 21.212 19.502 17.917 16.509 15.272 14.187 13.234 12.394 11.650 10.989 10.398 9.866 9.387 8.952 8.196 8.060 7.929 7.802 7.680 7.561 7.446 7.334 7.225 7.120 7.017 6.917 6.819 6.724 6.631 6.540 6.451 6.364 6.278 6.193 6.110 22.277 20.896 19.267 17.735 16.365 15.157 14.096 13.165 12.345 11.620 10.977 10.404 9.891 9.429 9.012 8.291 8.162 8.037 7.917 7.801 7.688 7.580 7.474 7.372 7.273 7.177 7.083 6.992 6.903 6.817 6.732 6.649 6.568 6.488 6.410 6.334 21.758 20.545 19.002 17.525 16.193 15.016 13.981 13.072 12.272 11.566 10.940 10.384 9.888 9.444 9.044 8.354 8.232 8.114 8.000 7.890 7.783 7.681 7.581 7.485 7.392 7.302 7.214 7.129 7.046 6.965 6.886 6.809 6.734 6.660 6.588 6.517 99999.999 20.165 18.710 17.289 15.998 14.853 13.844 12.958 12.178 11.490 10.882 10.343 9.863 9.435 9.051 8.392 8.275 8.163 8.055 7.951 7.850 7.753 7.659 7.569 7.481 7.397 7.314 7.234 7.157 7.081 7.008 6.936 6.866 6.798 6.731 6.665 hedenbergite CaFeSi2O6 Ssln ID, Coef: 5 1.000 P-T:All Wt.(g/mol) = 248.100 V(cc/mol) = 67.950 D(g/cc) = 3.651 Ref: H&P2011 5 1.000 9 1.000 11 2.000 7 -2.000 2 -4.000 1 21.389 19.234 17.311 15.634 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.389 19.234 17.311 15.634 14.171 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.389 19.235 17.312 15.635 14.172 12.886 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.391 19.237 17.314 15.637 14.174 12.888 11.746 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.393 19.240 17.317 15.640 14.177 12.892 11.749 10.721 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.397 19.245 17.322 15.645 14.182 12.897 11.754 10.727 9.789 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.403 19.252 17.329 15.653 14.190 12.905 11.763 10.735 9.798 8.927 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.412 19.261 17.340 15.663 14.201 12.916 11.774 10.748 9.812 8.942 8.115 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.423 19.275 17.353 15.677 14.215 12.931 11.790 10.764 9.830 8.963 8.139 7.333 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.437 19.292 17.372 15.696 14.234 12.951 11.811 10.787 9.854 8.990 8.171 7.371 6.571 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.455 19.314 17.395 15.720 14.259 12.976 11.837 10.815 9.885 9.024 8.211 7.421 6.632 5.841 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.477 19.340 17.423 15.749 14.289 13.008 11.871 10.851 9.923 9.067 8.261 7.482 6.710 5.926 5.181 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.492 19.360 17.445 15.772 14.312 13.031 11.896 10.877 9.952 9.100 8.299 7.528 6.768 5.997 5.175 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.513 19.387 17.474 15.802 14.344 13.064 11.931 10.915 9.993 9.145 8.351 7.592 6.849 6.100 5.269 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.532 19.412 17.502 15.831 14.374 13.096 11.964 10.950 10.032 9.188 8.401 7.653 6.927 6.201 5.396 8.195 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.548 19.436 17.528 15.859 14.403 13.126 11.996 10.985 10.069 9.230 8.449 7.711 7.000 6.297 5.530 6.135 6.932 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.563 19.458 17.553 15.886 14.431 13.156 12.027 11.018 10.105 9.270 8.495 7.766 7.069 6.388 5.660 5.674 5.896 6.356 7.017 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.575 19.478 17.576 15.911 14.457 13.183 12.057 11.050 10.140 9.308 8.539 7.818 7.135 6.473 5.784 5.500 5.540 5.691 5.979 6.379 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.586 19.497 17.598 15.934 14.483 13.210 12.085 11.080 10.173 9.345 8.581 7.868 7.196 6.553 5.898 5.427 5.386 5.407 5.506 5.691 5.944 6.204 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.595 19.514 17.619 15.957 14.507 13.236 12.112 11.110 10.205 9.381 8.621 7.915 7.253 6.626 6.002 5.401 5.316 5.271 5.274 5.335 5.453 5.615 5.788 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.603 19.530 17.638 15.978 14.530 13.260 12.139 11.138 10.236 9.415 8.660 7.960 7.307 6.694 6.096 5.400 5.289 5.206 5.156 5.145 5.176 5.248 5.350 5.463 5.564 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.609 19.544 17.656 15.999 14.551 13.283 12.164 11.165 10.266 9.448 8.697 8.003 7.358 6.756 6.180 5.413 5.286 5.179 5.097 5.042 5.018 5.026 5.065 5.126 5.198 5.268 5.322 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.613 19.557 17.673 16.018 14.572 13.306 12.188 11.192 10.295 9.480 8.733 8.043 7.405 6.812 6.254 5.436 5.298 5.175 5.071 4.989 4.929 4.895 4.886 4.900 4.932 4.975 5.021 5.062 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.615 19.569 17.689 16.036 14.592 13.327 12.211 11.217 10.322 9.510 8.767 8.082 7.450 6.864 6.319 5.464 5.318 5.185 5.067 4.966 4.882 4.819 4.776 4.753 4.749 4.761 4.783 4.811 4.841 4.870 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.616 19.580 17.704 16.053 14.611 13.347 12.233 11.241 10.349 9.540 8.800 8.119 7.491 6.912 6.376 5.497 5.345 5.205 5.077 4.962 4.862 4.778 4.710 4.661 4.628 4.611 4.607 4.614 4.629 4.650 4.674 99999.999 99999.999 99999.999 99999.999 99999.999 21.616 19.589 17.717 16.068 14.628 13.367 12.254 11.264 10.375 9.568 8.831 8.154 7.530 6.956 6.427 5.531 5.376 5.230 5.095 4.971 4.859 4.760 4.675 4.605 4.550 4.510 4.483 4.468 4.464 4.469 4.481 4.501 4.527 99999.999 99999.999 99999.999 21.614 19.597 17.729 16.083 14.645 13.385 12.274 11.286 10.399 9.595 8.861 8.188 7.567 6.997 6.472 5.567 5.409 5.260 5.119 4.988 4.868 4.758 4.661 4.576 4.503 4.444 4.398 4.363 4.341 4.328 4.326 4.332 4.347 4.370 99999.999 99999.999 21.611 19.604 17.741 16.097 14.661 13.403 12.294 11.308 10.423 9.622 8.891 8.220 7.603 7.035 6.513 5.604 5.444 5.292 5.148 5.012 4.885 4.768 4.661 4.564 4.479 4.405 4.342 4.292 4.252 4.223 4.205 4.196 4.197 4.207 4.228 4.259 21.607 19.609 17.751 16.110 14.676 13.420 12.312 11.328 10.446 9.647 8.919 8.251 7.637 7.071 6.552 5.642 5.481 5.326 5.179 5.040 4.908 4.785 4.671 4.566 4.470 4.385 4.310 4.245 4.191 4.147 4.114 4.091 4.077 4.074 4.080 4.097 21.493 19.610 17.803 16.193 14.781 13.544 12.455 11.490 10.629 9.854 9.151 8.510 7.922 7.382 6.884 6.000 5.839 5.683 5.531 5.384 5.241 5.102 4.968 4.837 4.711 4.588 4.470 4.355 4.245 4.139 4.038 3.940 3.848 3.760 3.677 3.599 21.277 19.522 17.776 16.203 14.818 13.602 12.533 11.587 10.746 9.993 9.312 8.695 8.131 7.614 7.139 6.295 6.141 5.991 5.846 5.704 5.567 5.432 5.301 5.174 5.049 4.927 4.809 4.692 4.579 4.467 4.359 4.252 4.148 4.046 3.947 3.849 20.977 19.364 17.687 16.156 14.800 13.608 12.559 11.633 10.812 10.078 9.418 8.822 8.279 7.784 7.330 6.526 6.380 6.238 6.100 5.966 5.835 5.708 5.584 5.463 5.345 5.230 5.117 5.006 4.898 4.791 4.687 4.584 4.483 4.384 4.286 4.190 20.611 19.149 17.546 16.060 14.737 13.571 12.544 11.638 10.836 10.121 9.480 8.903 8.381 7.905 7.470 6.705 6.566 6.432 6.301 6.174 6.051 5.931 5.814 5.700 5.589 5.481 5.375 5.271 5.169 5.069 4.971 4.875 4.780 4.687 4.595 4.505 20.189 18.886 17.362 15.925 14.637 13.498 12.495 11.609 10.825 10.129 9.506 8.948 8.444 7.986 7.570 6.840 6.708 6.581 6.457 6.337 6.220 6.107 5.997 5.890 5.786 5.684 5.584 5.487 5.392 5.299 5.208 5.118 5.030 4.943 4.858 4.774 19.721 18.583 17.141 15.757 14.506 13.396 12.416 11.551 10.786 10.108 9.503 8.962 8.475 8.035 7.636 6.939 6.814 6.692 6.575 6.462 6.351 6.244 6.141 6.040 5.942 5.846 5.753 5.662 5.573 5.486 5.401 5.318 5.236 5.155 5.076 4.998 19.213 18.246 16.889 15.559 14.347 13.267 12.312 11.469 10.723 10.062 9.475 8.950 8.480 8.056 7.673 7.007 6.888 6.773 6.662 6.554 6.450 6.349 6.251 6.156 6.063 5.973 5.886 5.801 5.718 5.636 5.557 5.479 5.403 5.328 5.255 5.183 99999.999 17.879 16.611 15.336 14.164 13.115 12.186 11.365 10.639 9.996 9.425 8.916 8.461 8.053 7.685 7.049 6.936 6.827 6.721 6.619 6.520 6.424 6.332 6.242 6.155 6.071 5.989 5.909 5.831 5.755 5.681 5.608 5.537 5.468 5.399 5.332 dolomite,ordered CaMgO6C2 P-T:All Wt.(g/mol) = 184.410 V(cc/mol) = 64.290 D(g/cc) = 2.868 Ref: H&P2011 4 1.000 9 1.000 10 2.000 5 -2.000 1 3.984 3.039 2.139 1.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.984 3.039 2.139 1.299 0.506 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.985 3.040 2.141 1.300 0.507 -0.251 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.988 3.042 2.143 1.302 0.509 -0.249 -0.988 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.993 3.046 2.146 1.305 0.513 -0.246 -0.984 -1.716 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.001 3.053 2.152 1.311 0.518 -0.240 -0.978 -1.710 -2.449 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.013 3.063 2.161 1.319 0.526 -0.231 -0.969 -1.700 -2.438 -3.203 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.030 3.076 2.173 1.331 0.538 -0.219 -0.956 -1.685 -2.422 -3.183 -3.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.054 3.096 2.190 1.347 0.554 -0.203 -0.938 -1.666 -2.399 -3.157 -3.965 -4.864 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.085 3.121 2.213 1.369 0.575 -0.181 -0.915 -1.640 -2.370 -3.122 -3.921 -4.803 -5.822 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.125 3.154 2.243 1.396 0.603 -0.153 -0.885 -1.607 -2.332 -3.077 -3.864 -4.727 -5.713 -6.902 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.177 3.195 2.280 1.432 0.638 -0.116 -0.846 -1.565 -2.284 -3.020 -3.793 -4.633 -5.580 -6.706 -8.202 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.216 3.227 2.309 1.459 0.665 -0.089 -0.817 -1.532 -2.248 -2.977 -3.740 -4.563 -5.481 -6.561 -8.008 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.271 3.272 2.349 1.498 0.703 -0.050 -0.775 -1.487 -2.197 -2.918 -3.667 -4.466 -5.347 -6.366 -7.710 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.325 3.317 2.389 1.536 0.741 -0.011 -0.735 -1.443 -2.147 -2.860 -3.596 -4.375 -5.222 -6.184 -7.424 -7.106 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.378 3.360 2.428 1.573 0.777 0.026 -0.695 -1.400 -2.099 -2.804 -3.529 -4.288 -5.104 -6.015 -7.157 -7.697 -7.736 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.430 3.403 2.467 1.609 0.813 0.063 -0.656 -1.358 -2.052 -2.750 -3.463 -4.205 -4.993 -5.859 -6.912 -7.743 -7.947 -8.121 -8.426 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.481 3.445 2.505 1.645 0.849 0.099 -0.618 -1.316 -2.006 -2.697 -3.401 -4.127 -4.890 -5.715 -6.689 -7.679 -7.937 -8.177 -8.418 -8.738 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.531 3.486 2.542 1.681 0.884 0.135 -0.581 -1.276 -1.961 -2.646 -3.340 -4.052 -4.792 -5.582 -6.487 -7.583 -7.860 -8.130 -8.394 -8.671 -9.005 -9.466 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.580 3.527 2.579 1.715 0.918 0.170 -0.544 -1.236 -1.917 -2.596 -3.281 -3.980 -4.701 -5.459 -6.305 -7.478 -7.761 -8.041 -8.319 -8.600 -8.896 -9.236 -9.656 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.628 3.567 2.615 1.750 0.952 0.204 -0.508 -1.197 -1.874 -2.548 -3.225 -3.912 -4.616 -5.347 -6.142 -7.370 -7.654 -7.937 -8.220 -8.505 -8.795 -9.102 -9.442 -9.834 -10.296 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.675 3.606 2.650 1.783 0.985 0.238 -0.473 -1.159 -1.832 -2.501 -3.170 -3.847 -4.536 -5.244 -5.997 -7.263 -7.545 -7.828 -8.112 -8.397 -8.686 -8.982 -9.293 -9.628 -9.999 -10.414 -10.875 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.721 3.644 2.685 1.817 1.018 0.271 -0.438 -1.122 -1.791 -2.455 -3.118 -3.785 -4.460 -5.149 -5.867 -7.159 -7.438 -7.718 -8.000 -8.284 -8.570 -8.861 -9.160 -9.471 -9.799 -10.152 -10.531 -10.938 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.766 3.682 2.719 1.849 1.050 0.304 -0.404 -1.085 -1.751 -2.410 -3.066 -3.725 -4.389 -5.062 -5.753 -7.058 -7.333 -7.609 -7.888 -8.169 -8.453 -8.739 -9.031 -9.329 -9.637 -9.957 -10.293 -10.644 -11.011 -11.389 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.811 3.719 2.753 1.881 1.082 0.336 -0.370 -1.049 -1.712 -2.366 -3.017 -3.668 -4.322 -4.981 -5.651 -6.959 -7.230 -7.503 -7.778 -8.056 -8.336 -8.618 -8.904 -9.194 -9.490 -9.793 -10.104 -10.424 -10.752 -11.087 -11.425 99999.999 99999.999 99999.999 99999.999 99999.999 4.855 3.756 2.786 1.913 1.113 0.368 -0.337 -1.014 -1.673 -2.323 -2.969 -3.613 -4.259 -4.907 -5.561 -6.864 -7.131 -7.400 -7.671 -7.945 -8.220 -8.499 -8.780 -9.064 -9.352 -9.644 -9.940 -10.241 -10.546 -10.855 -11.164 -11.471 -11.771 99999.999 99999.999 99999.999 4.898 3.792 2.819 1.944 1.144 0.399 -0.305 -0.979 -1.635 -2.281 -2.922 -3.560 -4.198 -4.837 -5.479 -6.771 -7.035 -7.300 -7.567 -7.836 -8.108 -8.382 -8.658 -8.937 -9.219 -9.503 -9.789 -10.079 -10.370 -10.661 -10.952 -11.240 -11.522 -11.795 99999.999 99999.999 4.940 3.827 2.852 1.975 1.174 0.430 -0.273 -0.945 -1.598 -2.240 -2.876 -3.509 -4.140 -4.772 -5.405 -6.682 -6.941 -7.203 -7.466 -7.731 -7.998 -8.268 -8.540 -8.814 -9.090 -9.368 -9.647 -9.928 -10.210 -10.491 -10.770 -11.046 -11.315 -11.577 -11.827 -12.064 4.981 3.862 2.883 2.006 1.204 0.460 -0.241 -0.912 -1.562 -2.200 -2.831 -3.459 -4.084 -4.709 -5.334 -6.595 -6.851 -7.108 -7.367 -7.628 -7.892 -8.157 -8.424 -8.694 -8.965 -9.238 -9.512 -9.786 -10.061 -10.334 -10.606 -10.873 -11.135 -11.390 -11.635 -11.867 5.356 4.184 3.179 2.288 1.482 0.741 0.049 -0.604 -1.231 -1.838 -2.431 -3.014 -3.590 -4.161 -4.726 -5.851 -6.076 -6.302 -6.528 -6.755 -6.983 -7.212 -7.442 -7.674 -7.906 -8.139 -8.374 -8.609 -8.845 -9.081 -9.316 -9.552 -9.786 -10.019 -10.250 -10.478 5.673 4.462 3.437 2.536 1.727 0.988 0.304 -0.338 -0.947 -1.530 -2.095 -2.646 -3.186 -3.716 -4.238 -5.266 -5.470 -5.673 -5.877 -6.080 -6.284 -6.488 -6.692 -6.897 -7.102 -7.308 -7.514 -7.721 -7.929 -8.138 -8.347 -8.556 -8.766 -8.977 -9.187 -9.398 5.943 4.706 3.667 2.759 1.947 1.209 0.530 -0.102 -0.697 -1.263 -1.807 -2.332 -2.843 -3.342 -3.831 -4.785 -4.973 -5.160 -5.346 -5.532 -5.718 -5.903 -6.089 -6.274 -6.460 -6.645 -6.831 -7.018 -7.205 -7.392 -7.579 -7.768 -7.957 -8.146 -8.336 -8.526 6.176 4.922 3.873 2.959 2.145 1.409 0.735 0.110 -0.475 -1.027 -1.553 -2.059 -2.547 -3.021 -3.483 -4.378 -4.553 -4.727 -4.900 -5.073 -5.245 -5.416 -5.587 -5.758 -5.928 -6.098 -6.269 -6.439 -6.609 -6.780 -6.951 -7.123 -7.294 -7.467 -7.640 -7.813 6.380 5.116 4.059 3.142 2.327 1.592 0.921 0.302 -0.274 -0.815 -1.328 -1.816 -2.286 -2.739 -3.179 -4.026 -4.191 -4.354 -4.517 -4.679 -4.840 -5.000 -5.159 -5.318 -5.476 -5.635 -5.792 -5.950 -6.108 -6.266 -6.423 -6.581 -6.740 -6.898 -7.058 -7.217 6.558 5.290 4.229 3.309 2.493 1.760 1.092 0.478 -0.091 -0.623 -1.124 -1.599 -2.053 -2.489 -2.911 -3.717 -3.873 -4.029 -4.182 -4.335 -4.487 -4.638 -4.788 -4.937 -5.086 -5.234 -5.382 -5.530 -5.677 -5.824 -5.971 -6.119 -6.266 -6.414 -6.562 -6.710 6.716 5.449 4.384 3.462 2.647 1.915 1.250 0.641 0.078 -0.447 -0.938 -1.402 -1.843 -2.265 -2.671 -3.443 -3.592 -3.740 -3.886 -4.032 -4.176 -4.319 -4.461 -4.603 -4.743 -4.883 -5.023 -5.162 -5.301 -5.440 -5.578 -5.717 -5.856 -5.994 -6.133 -6.272 99999.999 5.594 4.528 3.605 2.790 2.060 1.398 0.792 0.234 -0.284 -0.767 -1.222 -1.652 -2.062 -2.454 -3.197 -3.340 -3.482 -3.622 -3.761 -3.899 -4.035 -4.171 -4.306 -4.440 -4.573 -4.706 -4.838 -4.970 -5.101 -5.233 -5.364 -5.495 -5.627 -5.758 -5.890 eastonite KMg2Al3Si2O12H2 P-T:All Wt.(g/mol) = 418.850 V(cc/mol) = 147.380 D(g/cc) = 2.842 Ref: H&P2011 6 1.000 12 2.000 10 3.000 8 2.000 7 4.000 2 -14.000 1 54.405 46.400 39.493 33.542 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.405 46.400 39.493 33.542 28.371 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.409 46.403 39.496 33.545 28.374 23.824 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.414 46.409 39.502 33.551 28.380 23.830 19.774 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.425 46.420 39.512 33.561 28.390 23.841 19.785 16.117 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.440 46.436 39.528 33.577 28.406 23.857 19.802 16.135 12.773 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.464 46.460 39.552 33.601 28.430 23.882 19.827 16.162 12.802 9.668 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.498 46.495 39.587 33.635 28.464 23.916 19.863 16.201 12.844 9.715 6.728 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.544 46.542 39.634 33.682 28.511 23.964 19.913 16.254 12.902 9.779 6.803 3.895 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.604 46.604 39.696 33.744 28.573 24.027 19.979 16.323 12.977 9.864 6.903 4.017 1.175 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.681 46.685 39.776 33.823 28.652 24.109 20.063 16.413 13.075 9.973 7.030 4.173 1.360 -1.288 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.778 46.786 39.877 33.924 28.753 24.212 20.171 16.527 13.198 10.110 7.191 4.371 1.602 -1.097 -3.054 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.851 46.862 39.954 34.000 28.830 24.290 20.252 16.613 13.291 10.214 7.313 4.521 1.789 -0.902 -3.481 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.952 46.969 40.061 34.108 28.938 24.400 20.366 16.735 13.422 10.360 7.482 4.730 2.054 -0.590 -3.404 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.049 47.073 40.166 34.212 29.043 24.507 20.478 16.853 13.549 10.500 7.645 4.930 2.310 -0.267 -3.071 18.069 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.143 47.174 40.267 34.314 29.146 24.612 20.586 16.967 13.673 10.637 7.803 5.123 2.556 0.052 -2.654 4.013 10.105 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.232 47.271 40.366 34.413 29.246 24.714 20.692 17.079 13.793 10.770 7.955 5.306 2.789 0.359 -2.217 0.692 2.878 6.743 12.368 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.318 47.366 40.462 34.510 29.343 24.813 20.795 17.188 13.910 10.898 8.102 5.482 3.010 0.649 -1.792 -0.754 0.206 1.929 4.654 8.360 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.401 47.457 40.556 34.604 29.438 24.910 20.896 17.294 14.024 11.023 8.243 5.650 3.218 0.920 -1.394 -1.530 -1.122 -0.293 1.088 3.119 5.755 8.713 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.480 47.546 40.647 34.695 29.530 25.005 20.994 17.398 14.135 11.145 8.380 5.809 3.413 1.170 -1.029 -1.984 -1.880 -1.509 -0.800 0.319 1.885 3.853 6.066 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.556 47.632 40.735 34.785 29.621 25.097 21.090 17.499 14.243 11.262 8.512 5.961 3.595 1.399 -0.703 -2.258 -2.341 -2.240 -1.911 -1.310 -0.397 0.838 2.357 4.066 5.832 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.628 47.715 40.821 34.872 29.709 25.187 21.183 17.597 14.349 11.377 8.639 6.106 3.766 1.608 -0.415 -2.420 -2.628 -2.700 -2.609 -2.324 -1.818 -1.070 -0.081 1.120 2.473 3.900 5.323 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.698 47.795 40.905 34.957 29.795 25.275 21.274 17.693 14.451 11.489 8.762 6.245 3.925 1.798 -0.164 -2.508 -2.804 -2.995 -3.062 -2.985 -2.744 -2.321 -1.706 -0.905 0.061 1.154 2.326 3.528 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.765 47.874 40.987 35.040 29.879 25.361 21.363 17.787 14.552 11.597 8.881 6.377 4.074 1.969 0.051 -2.547 -2.907 -3.182 -3.360 -3.426 -3.367 -3.167 -2.816 -2.311 -1.656 -0.867 0.030 1.006 2.031 3.082 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.828 47.949 41.066 35.120 29.961 25.445 21.450 17.878 14.649 11.703 8.996 6.503 4.213 2.125 0.235 -2.550 -2.958 -3.295 -3.554 -3.724 -3.793 -3.752 -3.590 -3.303 -2.887 -2.348 -1.697 -0.950 -0.127 0.754 1.679 99999.999 99999.999 99999.999 99999.999 99999.999 55.889 48.023 41.143 35.199 30.041 25.527 21.535 17.968 14.745 11.806 9.107 6.624 4.344 2.266 0.393 -2.526 -2.971 -3.357 -3.676 -3.922 -4.086 -4.161 -4.138 -4.012 -3.778 -3.437 -2.991 -2.449 -1.821 -1.120 -0.357 0.459 1.324 99999.999 99999.999 99999.999 55.947 48.094 41.218 35.276 30.119 25.607 21.618 18.055 14.838 11.906 9.216 6.741 4.469 2.397 0.529 -2.483 -2.957 -3.379 -3.745 -4.049 -4.285 -4.447 -4.529 -4.525 -4.430 -4.243 -3.963 -3.593 -3.139 -2.606 -2.004 -1.340 -0.617 0.160 99999.999 99999.999 56.003 48.163 41.292 35.351 30.196 25.685 21.700 18.141 14.929 12.004 9.321 6.854 4.588 2.519 0.651 -2.426 -2.923 -3.374 -3.776 -4.125 -4.416 -4.645 -4.807 -4.896 -4.909 -4.843 -4.696 -4.468 -4.161 -3.778 -3.324 -2.804 -2.222 -1.582 -0.885 -0.131 56.056 48.229 41.363 35.424 30.270 25.762 21.779 18.224 15.018 12.100 9.424 6.963 4.703 2.636 0.764 -2.358 -2.873 -3.347 -3.778 -4.162 -4.497 -4.778 -5.002 -5.164 -5.262 -5.291 -5.250 -5.137 -4.953 -4.698 -4.375 -3.987 -3.537 -3.026 -2.458 -1.834 56.455 48.789 41.979 36.066 30.930 26.441 22.485 18.967 15.808 12.948 10.336 7.940 5.736 3.707 1.843 -1.428 -2.013 -2.576 -3.117 -3.636 -4.134 -4.610 -5.065 -5.499 -5.910 -6.299 -6.666 -7.009 -7.329 -7.625 -7.896 -8.142 -8.362 -8.556 -8.724 -8.865 56.656 49.184 42.448 36.571 31.459 26.991 23.059 19.571 16.451 13.637 11.079 8.739 6.590 4.611 2.785 -0.454 -1.043 -1.614 -2.167 -2.704 -3.224 -3.730 -4.220 -4.697 -5.159 -5.608 -6.044 -6.468 -6.879 -7.278 -7.666 -8.042 -8.407 -8.761 -9.104 -9.436 56.701 49.450 42.801 36.969 31.885 27.440 23.530 20.069 16.981 14.205 11.692 9.401 7.302 5.372 3.591 0.422 -0.156 -0.717 -1.263 -1.794 -2.310 -2.813 -3.303 -3.781 -4.247 -4.702 -5.146 -5.581 -6.007 -6.424 -6.833 -7.234 -7.628 -8.015 -8.396 -8.771 56.620 49.609 43.059 37.279 32.227 27.807 23.921 20.483 17.423 14.681 12.205 9.956 7.902 6.016 4.279 1.189 0.625 0.077 -0.456 -0.974 -1.479 -1.971 -2.450 -2.918 -3.375 -3.822 -4.259 -4.688 -5.108 -5.520 -5.925 -6.324 -6.716 -7.103 -7.485 -7.862 56.438 49.683 43.240 37.516 32.501 28.107 24.245 20.831 17.796 15.081 12.638 10.426 8.410 6.565 4.869 1.856 1.307 0.773 0.254 -0.250 -0.741 -1.220 -1.687 -2.142 -2.586 -3.021 -3.446 -3.863 -4.272 -4.673 -5.067 -5.454 -5.836 -6.213 -6.584 -6.951 56.171 49.686 43.356 37.693 32.717 28.352 24.514 21.122 18.111 15.421 13.006 10.825 8.844 7.035 5.376 2.436 1.901 1.381 0.876 0.385 -0.093 -0.558 -1.011 -1.453 -1.885 -2.306 -2.719 -3.123 -3.518 -3.907 -4.288 -4.663 -5.032 -5.396 -5.754 -6.109 55.834 49.630 43.417 37.819 32.885 28.550 24.736 21.367 18.377 15.711 13.321 11.168 9.217 7.440 5.814 2.942 2.419 1.913 1.421 0.943 0.478 0.025 -0.415 -0.845 -1.264 -1.673 -2.073 -2.464 -2.848 -3.223 -3.592 -3.954 -4.311 -4.662 -5.008 -5.349 99999.999 49.525 43.432 37.901 33.010 28.708 24.919 21.572 18.604 15.959 13.592 11.462 9.538 7.790 6.194 3.383 2.873 2.378 1.898 1.432 0.979 0.538 0.110 -0.308 -0.715 -1.113 -1.501 -1.881 -2.253 -2.617 -2.974 -3.324 -3.669 -4.008 -4.342 -4.672 enstatite Mg2Si2O6 P-T:All Wt.(g/mol) = 200.800 V(cc/mol) = 62.620 D(g/cc) = 3.207 Ref: H&P2011 4 2.000 10 2.000 7 -2.000 2 -4.000 1 26.858 23.930 21.362 19.145 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.858 23.930 21.362 19.145 17.229 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.859 23.931 21.363 19.146 17.230 15.558 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.860 23.932 21.364 19.148 17.231 15.560 14.087 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.862 23.935 21.367 19.151 17.234 15.563 14.090 12.776 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.866 23.939 21.372 19.156 17.239 15.568 14.096 12.782 11.596 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.871 23.946 21.379 19.163 17.247 15.576 14.104 12.791 11.605 10.516 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.879 23.955 21.389 19.173 17.257 15.587 14.116 12.804 11.619 10.531 9.509 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.889 23.967 21.402 19.187 17.272 15.602 14.132 12.821 11.638 10.552 9.534 8.553 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.902 23.984 21.419 19.205 17.291 15.622 14.153 12.844 11.663 10.580 9.567 8.594 7.639 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.917 24.004 21.441 19.228 17.315 15.647 14.179 12.872 11.694 10.616 9.610 8.646 7.703 6.787 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.936 24.029 21.469 19.257 17.344 15.678 14.213 12.908 11.734 10.661 9.662 8.711 7.785 6.870 6.070 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.950 24.047 21.489 19.278 17.367 15.702 14.238 12.936 11.764 10.695 9.702 8.760 7.847 6.942 6.023 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.967 24.072 21.517 19.308 17.398 15.735 14.273 12.973 11.805 10.741 9.757 8.828 7.933 7.050 6.100 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.982 24.095 21.543 19.336 17.427 15.766 14.306 13.010 11.845 10.786 9.809 8.892 8.016 7.156 6.228 10.346 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.996 24.116 21.567 19.362 17.455 15.796 14.338 13.045 11.884 10.829 9.859 8.954 8.094 7.260 6.368 7.399 8.592 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.007 24.136 21.590 19.387 17.482 15.825 14.369 13.078 11.921 10.871 9.907 9.012 8.169 7.358 6.509 6.726 7.097 7.816 8.867 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.017 24.154 21.612 19.411 17.508 15.852 14.399 13.110 11.956 10.911 9.954 9.068 8.239 7.450 6.643 6.453 6.566 6.840 7.318 7.980 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.024 24.170 21.632 19.434 17.532 15.878 14.427 13.141 11.990 10.949 9.998 9.120 8.304 7.535 6.767 6.323 6.320 6.407 6.609 6.942 7.388 7.874 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.030 24.185 21.651 19.455 17.555 15.903 14.454 13.171 12.023 10.986 10.040 9.170 8.366 7.614 6.880 6.259 6.194 6.186 6.250 6.398 6.635 6.946 7.292 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.034 24.199 21.669 19.475 17.577 15.927 14.480 13.199 12.055 11.021 10.080 9.218 8.423 7.687 6.982 6.232 6.129 6.067 6.052 6.095 6.201 6.371 6.594 6.846 7.096 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.037 24.211 21.685 19.494 17.598 15.950 14.505 13.227 12.085 11.055 10.119 9.263 8.477 7.753 7.073 6.226 6.099 6.002 5.940 5.919 5.943 6.018 6.139 6.300 6.486 6.678 6.861 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.038 24.222 21.700 19.512 17.618 15.971 14.529 13.253 12.114 11.088 10.156 9.306 8.527 7.813 7.153 6.235 6.091 5.971 5.877 5.814 5.786 5.796 5.845 5.930 6.047 6.186 6.335 6.485 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.037 24.231 21.714 19.528 17.637 15.992 14.552 13.278 12.142 11.120 10.192 9.346 8.574 7.869 7.222 6.253 6.097 5.960 5.845 5.754 5.691 5.656 5.654 5.682 5.741 5.825 5.929 6.046 6.170 6.297 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.035 24.239 21.727 19.544 17.654 16.012 14.573 13.303 12.169 11.150 10.226 9.385 8.617 7.919 7.283 6.277 6.113 5.964 5.834 5.723 5.634 5.569 5.529 5.516 5.529 5.566 5.626 5.704 5.797 5.899 6.010 99999.999 99999.999 99999.999 99999.999 99999.999 27.031 24.246 21.739 19.558 17.671 16.030 14.594 13.326 12.195 11.179 10.259 9.421 8.658 7.965 7.336 6.306 6.135 5.978 5.836 5.711 5.604 5.516 5.450 5.405 5.383 5.384 5.406 5.447 5.505 5.578 5.664 5.761 5.868 99999.999 99999.999 99999.999 27.026 24.252 21.749 19.572 17.687 16.048 14.614 13.348 12.220 11.207 10.290 9.456 8.697 8.007 7.382 6.337 6.161 5.998 5.848 5.712 5.592 5.488 5.401 5.333 5.285 5.256 5.247 5.256 5.283 5.327 5.385 5.456 5.540 5.637 99999.999 99999.999 27.020 24.256 21.759 19.584 17.701 16.065 14.633 13.369 12.244 11.234 10.320 9.490 8.734 8.047 7.424 6.370 6.191 6.023 5.867 5.723 5.592 5.476 5.375 5.289 5.220 5.168 5.134 5.117 5.117 5.133 5.164 5.210 5.270 5.343 5.430 5.531 27.012 24.260 21.767 19.596 17.715 16.081 14.651 13.390 12.267 11.260 10.349 9.522 8.769 8.084 7.463 6.405 6.223 6.051 5.890 5.740 5.602 5.476 5.364 5.265 5.180 5.110 5.056 5.017 4.994 4.986 4.993 5.015 5.051 5.101 5.164 5.242 26.864 24.235 21.800 19.664 17.809 16.196 14.788 13.549 12.452 11.472 10.590 9.792 9.068 8.409 7.808 6.760 6.572 6.391 6.217 6.049 5.888 5.732 5.583 5.439 5.301 5.169 5.043 4.923 4.809 4.701 4.599 4.504 4.414 4.332 4.256 4.187 26.612 24.122 21.753 19.658 17.832 16.245 14.859 13.642 12.567 11.611 10.755 9.984 9.286 8.652 8.074 7.065 6.883 6.708 6.538 6.374 6.215 6.061 5.912 5.767 5.627 5.490 5.358 5.230 5.105 4.983 4.866 4.751 4.640 4.532 4.428 4.326 26.276 23.937 21.643 19.593 17.801 16.239 14.877 13.682 12.629 11.696 10.863 10.115 9.441 8.831 8.276 7.309 7.135 6.968 6.805 6.648 6.496 6.348 6.205 6.066 5.931 5.800 5.672 5.547 5.426 5.307 5.191 5.078 4.967 4.859 4.753 4.648 25.872 23.695 21.480 19.480 17.723 16.190 14.852 13.679 12.648 11.736 10.924 10.199 9.547 8.959 8.426 7.499 7.334 7.173 7.019 6.869 6.724 6.584 6.448 6.316 6.188 6.063 5.942 5.824 5.709 5.597 5.487 5.379 5.274 5.171 5.070 4.970 25.412 23.405 21.274 19.327 17.608 16.105 14.792 13.642 12.631 11.739 10.949 10.244 9.612 9.044 8.532 7.644 7.486 7.333 7.186 7.044 6.906 6.773 6.644 6.519 6.398 6.280 6.166 6.055 5.947 5.841 5.738 5.637 5.539 5.442 5.348 5.255 24.906 23.073 21.031 19.139 17.461 15.989 14.702 13.575 12.585 11.713 10.942 10.256 9.644 9.095 8.602 7.751 7.600 7.454 7.314 7.178 7.048 6.921 6.799 6.681 6.567 6.456 6.348 6.244 6.142 6.043 5.946 5.852 5.760 5.670 5.582 5.496 24.360 22.707 20.756 18.922 17.285 15.846 14.586 13.482 12.514 11.661 10.909 10.242 9.648 9.117 8.641 7.825 7.681 7.542 7.408 7.279 7.155 7.035 6.919 6.807 6.699 6.595 6.493 6.395 6.299 6.206 6.116 6.028 5.942 5.858 5.776 5.696 99999.999 22.312 20.454 18.680 17.086 15.680 14.447 13.368 12.420 11.588 10.853 10.204 9.628 9.114 8.655 7.872 7.734 7.601 7.473 7.350 7.232 7.118 7.009 6.903 6.800 6.702 6.606 6.513 6.424 6.336 6.252 6.169 6.089 6.011 5.934 5.860 clinoenstatite-HiP Mg2Si2O6 P-T:All Wt.(g/mol) = 200.774 V(cc/mol) = 60.990 D(g/cc) = 3.292 Ref: H&P2011 4 2.000 10 2.000 7 -4.000 1 -2.000 2 28.332 25.284 22.614 20.311 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.332 25.284 22.614 20.311 18.319 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.333 25.285 22.615 20.312 18.320 16.582 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.334 25.286 22.617 20.314 18.321 16.584 15.053 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.336 25.289 22.619 20.316 18.325 16.587 15.057 13.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.339 25.293 22.624 20.321 18.329 16.593 15.062 13.697 12.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.344 25.299 22.631 20.328 18.337 16.600 15.070 13.706 12.473 11.342 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.351 25.308 22.640 20.338 18.347 16.611 15.081 13.718 12.487 11.358 10.298 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.361 25.320 22.653 20.351 18.361 16.625 15.097 13.735 12.505 11.379 10.323 9.308 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.373 25.335 22.669 20.369 18.379 16.644 15.117 13.757 12.530 11.406 10.356 9.348 8.362 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.388 25.354 22.691 20.391 18.402 16.669 15.143 13.785 12.561 11.441 10.397 9.400 8.426 7.481 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.405 25.378 22.717 20.418 18.431 16.699 15.176 13.820 12.600 11.485 10.449 9.464 8.507 7.563 6.737 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.417 25.395 22.736 20.439 18.452 16.722 15.200 13.847 12.629 11.518 10.488 9.512 8.568 7.635 6.690 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.433 25.419 22.762 20.467 18.482 16.754 15.234 13.883 12.670 11.564 10.542 9.579 8.654 7.742 6.766 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.447 25.440 22.787 20.494 18.511 16.784 15.266 13.919 12.709 11.608 10.594 9.643 8.736 7.848 6.893 10.966 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.459 25.460 22.810 20.519 18.538 16.813 15.298 13.953 12.746 11.651 10.643 9.704 8.814 7.951 7.033 8.018 9.202 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.469 25.478 22.832 20.543 18.563 16.840 15.327 13.985 12.782 11.691 10.691 9.761 8.887 8.048 7.173 7.343 7.707 8.418 9.460 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.477 25.495 22.853 20.566 18.588 16.867 15.356 14.017 12.817 11.730 10.736 9.816 8.956 8.139 7.306 7.071 7.175 7.440 7.910 8.565 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.483 25.510 22.872 20.587 18.611 16.892 15.383 14.046 12.850 11.768 10.779 9.868 9.021 8.224 7.430 6.939 6.929 7.007 7.201 7.526 7.964 8.443 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.487 25.524 22.889 20.607 18.633 16.916 15.409 14.075 12.882 11.804 10.821 9.917 9.082 8.302 7.542 6.875 6.802 6.786 6.841 6.982 7.211 7.515 7.854 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.490 25.536 22.906 20.626 18.654 16.938 15.434 14.103 12.912 11.838 10.860 9.964 9.139 8.374 7.644 6.847 6.736 6.665 6.643 6.678 6.777 6.940 7.155 7.400 7.643 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.491 25.546 22.921 20.644 18.674 16.960 15.458 14.129 12.942 11.871 10.898 10.008 9.192 8.440 7.734 6.841 6.706 6.600 6.530 6.501 6.519 6.585 6.700 6.854 7.033 7.219 7.395 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.490 25.556 22.934 20.660 18.692 16.981 15.481 14.155 12.970 11.903 10.934 10.050 9.241 8.499 7.813 6.849 6.697 6.568 6.467 6.396 6.361 6.363 6.405 6.484 6.594 6.726 6.869 7.013 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.488 25.564 22.947 20.676 18.710 17.000 15.503 14.179 12.997 11.934 10.969 10.090 9.287 8.554 7.882 6.866 6.702 6.557 6.434 6.336 6.265 6.223 6.213 6.235 6.287 6.364 6.462 6.573 6.691 6.812 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.484 25.570 22.958 20.690 18.726 17.019 15.524 14.202 13.024 11.963 11.002 10.128 9.330 8.603 7.941 6.890 6.717 6.561 6.422 6.304 6.207 6.135 6.088 6.068 6.074 6.105 6.159 6.231 6.317 6.414 6.519 99999.999 99999.999 99999.999 99999.999 99999.999 28.479 25.576 22.969 20.703 18.742 17.037 15.543 14.224 13.049 11.992 11.034 10.164 9.370 8.648 7.994 6.918 6.738 6.573 6.424 6.291 6.177 6.082 6.008 5.957 5.928 5.922 5.938 5.973 6.025 6.092 6.172 6.264 6.366 99999.999 99999.999 99999.999 28.472 25.580 22.978 20.715 18.756 17.053 15.562 14.246 13.073 12.019 11.065 10.198 9.408 8.690 8.039 6.948 6.764 6.593 6.435 6.292 6.164 6.053 5.959 5.884 5.829 5.794 5.778 5.781 5.803 5.840 5.892 5.958 6.037 6.129 99999.999 99999.999 28.464 25.583 22.986 20.727 18.770 17.069 15.580 14.266 13.096 12.045 11.094 10.231 9.444 8.729 8.081 6.981 6.794 6.617 6.453 6.302 6.164 6.040 5.932 5.840 5.764 5.706 5.665 5.642 5.636 5.646 5.671 5.712 5.766 5.834 5.916 6.011 28.454 25.585 22.993 20.737 18.783 17.084 15.597 14.285 13.118 12.070 11.123 10.262 9.479 8.766 8.119 7.015 6.825 6.645 6.476 6.319 6.173 6.040 5.920 5.814 5.723 5.647 5.586 5.541 5.512 5.499 5.500 5.516 5.547 5.591 5.650 5.722 28.291 25.546 23.013 20.792 18.865 17.189 15.724 14.436 13.293 12.273 11.355 10.525 9.770 9.083 8.457 7.364 7.168 6.979 6.797 6.622 6.453 6.290 6.134 5.983 5.839 5.701 5.568 5.442 5.322 5.208 5.101 5.000 4.905 4.817 4.736 4.662 28.023 25.419 22.953 20.774 18.877 17.226 15.785 14.519 13.400 12.404 11.512 10.708 9.981 9.319 8.717 7.663 7.473 7.290 7.112 6.941 6.774 6.613 6.457 6.306 6.159 6.016 5.878 5.743 5.612 5.485 5.362 5.242 5.126 5.013 4.903 4.796 27.672 25.220 22.829 20.698 18.834 17.210 15.793 14.549 13.453 12.480 11.612 10.832 10.129 9.491 8.912 7.900 7.719 7.543 7.373 7.208 7.049 6.895 6.745 6.599 6.457 6.320 6.186 6.055 5.928 5.804 5.682 5.564 5.448 5.334 5.223 5.114 27.253 24.963 22.654 20.572 18.745 17.151 15.758 14.537 13.463 12.512 11.665 10.908 10.227 9.612 9.054 8.084 7.911 7.743 7.580 7.424 7.272 7.124 6.982 6.843 6.709 6.578 6.451 6.327 6.206 6.088 5.973 5.860 5.750 5.641 5.535 5.431 26.777 24.659 22.434 20.407 18.619 17.055 15.688 14.490 13.437 12.507 11.681 10.945 10.285 9.690 9.153 8.223 8.057 7.896 7.742 7.592 7.448 7.308 7.172 7.041 6.913 6.790 6.669 6.552 6.439 6.327 6.219 6.113 6.009 5.908 5.808 5.710 26.255 24.313 22.178 20.207 18.460 16.928 15.587 14.413 13.382 12.472 11.666 10.949 10.309 9.734 9.216 8.323 8.164 8.011 7.863 7.721 7.583 7.450 7.322 7.197 7.076 6.959 6.846 6.736 6.628 6.524 6.422 6.323 6.226 6.131 6.038 5.946 25.693 23.933 21.890 19.978 18.273 16.774 15.461 14.311 13.301 12.412 11.625 10.927 10.305 9.749 9.249 8.391 8.239 8.093 7.952 7.816 7.685 7.558 7.436 7.318 7.203 7.093 6.985 6.881 6.780 6.682 6.586 6.493 6.402 6.314 6.227 6.142 99999.999 23.523 21.574 19.723 18.062 16.597 15.313 14.187 13.199 12.329 11.562 10.882 10.278 9.739 9.256 8.431 8.286 8.146 8.011 7.881 7.756 7.636 7.520 7.407 7.299 7.194 7.093 6.995 6.899 6.807 6.717 6.630 6.544 6.461 6.380 6.301 clinoenstatite Mg2Si2O6 P-T:All Wt.(g/mol) = 200.774 V(cc/mol) = 62.640 D(g/cc) = 3.205 Ref: H&P2011 4 2.000 10 2.000 7 -4.000 1 -2.000 2 26.714 23.800 21.244 19.038 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.714 23.800 21.244 19.038 17.130 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.715 23.801 21.245 19.039 17.131 15.467 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.716 23.802 21.247 19.041 17.133 15.469 14.002 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.718 23.805 21.249 19.044 17.136 15.472 14.006 12.697 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.722 23.810 21.254 19.049 17.141 15.477 14.011 12.703 11.521 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.727 23.816 21.261 19.056 17.148 15.485 14.019 12.712 11.531 10.446 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.735 23.825 21.271 19.066 17.159 15.496 14.031 12.725 11.545 10.461 9.444 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.745 23.838 21.284 19.080 17.173 15.511 14.047 12.742 11.564 10.483 9.469 8.491 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.758 23.854 21.302 19.098 17.192 15.531 14.068 12.764 11.588 10.511 9.502 8.532 7.581 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.774 23.874 21.324 19.121 17.216 15.556 14.094 12.793 11.620 10.546 9.544 8.584 7.645 6.733 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.792 23.899 21.351 19.150 17.246 15.587 14.128 12.829 11.660 10.591 9.596 8.649 7.727 6.815 6.019 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.806 23.917 21.371 19.171 17.268 15.611 14.153 12.856 11.690 10.625 9.636 8.698 7.789 6.888 5.972 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.823 23.942 21.399 19.200 17.299 15.643 14.188 12.894 11.731 10.672 9.691 8.766 7.875 6.995 6.049 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.839 23.965 21.425 19.228 17.329 15.675 14.221 12.931 11.771 10.716 9.743 8.830 7.958 7.102 6.177 10.303 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.852 23.986 21.450 19.255 17.357 15.705 14.254 12.965 11.809 10.760 9.794 8.892 8.036 7.205 6.318 7.356 8.550 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.863 24.006 21.473 19.280 17.384 15.733 14.284 12.999 11.846 10.801 9.842 8.950 8.111 7.303 6.458 6.682 7.055 7.776 8.828 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.873 24.024 21.494 19.304 17.409 15.761 14.314 13.031 11.882 10.841 9.888 9.006 8.181 7.395 6.592 6.410 6.525 6.799 7.279 7.943 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.881 24.041 21.515 19.327 17.434 15.787 14.342 13.062 11.916 10.879 9.932 9.059 8.246 7.481 6.716 6.279 6.279 6.367 6.570 6.905 7.352 7.839 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.887 24.056 21.534 19.348 17.457 15.812 14.369 13.092 11.949 10.916 9.974 9.109 8.308 7.560 6.830 6.216 6.152 6.146 6.211 6.360 6.599 6.912 7.260 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.891 24.069 21.551 19.368 17.479 15.836 14.395 13.120 11.980 10.952 10.015 9.156 8.365 7.632 6.932 6.188 6.087 6.026 6.013 6.058 6.166 6.337 6.561 6.815 7.066 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.893 24.081 21.568 19.387 17.500 15.859 14.420 13.148 12.011 10.986 10.054 9.201 8.419 7.699 7.022 6.183 6.057 5.962 5.901 5.881 5.908 5.983 6.107 6.269 6.456 6.650 6.835 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.894 24.092 21.583 19.405 17.519 15.880 14.444 13.174 12.040 11.018 10.091 9.244 8.469 7.759 7.102 6.192 6.049 5.930 5.838 5.777 5.751 5.762 5.812 5.899 6.018 6.158 6.309 6.461 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.894 24.102 21.597 19.421 17.538 15.901 14.467 13.199 12.068 11.050 10.126 9.284 8.516 7.814 7.172 6.210 6.055 5.920 5.806 5.717 5.655 5.622 5.621 5.651 5.711 5.797 5.902 6.021 6.147 6.276 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.891 24.110 21.610 19.437 17.556 15.921 14.489 13.223 12.095 11.080 10.160 9.323 8.559 7.864 7.232 6.234 6.071 5.924 5.795 5.686 5.598 5.535 5.497 5.485 5.499 5.539 5.600 5.680 5.774 5.878 5.991 99999.999 99999.999 99999.999 99999.999 99999.999 26.888 24.117 21.621 19.451 17.573 15.939 14.509 13.247 12.121 11.109 10.193 9.360 8.601 7.910 7.285 6.262 6.093 5.937 5.797 5.674 5.568 5.482 5.417 5.374 5.354 5.356 5.379 5.422 5.482 5.557 5.645 5.743 5.853 99999.999 99999.999 99999.999 26.883 24.122 21.632 19.465 17.588 15.957 14.529 13.269 12.146 11.137 10.224 9.395 8.639 7.953 7.331 6.294 6.119 5.958 5.809 5.675 5.556 5.454 5.369 5.302 5.256 5.228 5.221 5.232 5.260 5.305 5.365 5.438 5.525 5.623 99999.999 99999.999 26.876 24.127 21.641 19.477 17.603 15.974 14.548 13.290 12.170 11.164 10.255 9.428 8.676 7.992 7.373 6.327 6.149 5.983 5.828 5.686 5.557 5.442 5.342 5.258 5.191 5.141 5.108 5.093 5.094 5.112 5.145 5.192 5.254 5.329 5.418 5.520 26.868 24.130 21.650 19.489 17.617 15.990 14.566 13.311 12.193 11.190 10.284 9.461 8.711 8.030 7.413 6.362 6.181 6.011 5.851 5.703 5.566 5.442 5.331 5.234 5.150 5.082 5.030 4.993 4.971 4.965 4.974 4.998 5.035 5.087 5.152 5.231 26.721 24.106 21.683 19.557 17.710 16.106 14.703 13.470 12.378 11.402 10.524 9.731 9.010 8.354 7.757 6.716 6.530 6.351 6.178 6.012 5.852 5.698 5.550 5.408 5.272 5.142 5.017 4.899 4.786 4.680 4.580 4.486 4.399 4.318 4.244 4.176 26.469 23.993 21.636 19.551 17.734 16.154 14.774 13.563 12.493 11.542 10.690 9.923 9.228 8.598 8.024 7.022 6.842 6.668 6.500 6.337 6.180 6.027 5.879 5.736 5.597 5.463 5.332 5.205 5.082 4.963 4.847 4.734 4.625 4.518 4.416 4.316 26.133 23.809 21.526 19.486 17.703 16.149 14.792 13.603 12.555 11.626 10.798 10.054 9.384 8.777 8.226 7.266 7.094 6.927 6.767 6.611 6.460 6.314 6.173 6.035 5.902 5.772 5.646 5.523 5.403 5.286 5.172 5.061 4.952 4.845 4.741 4.638 25.729 23.566 21.364 19.374 17.626 16.100 14.768 13.601 12.574 11.666 10.859 10.138 9.490 8.905 8.375 7.456 7.292 7.133 6.980 6.832 6.689 6.550 6.416 6.285 6.159 6.036 5.916 5.800 5.686 5.576 5.468 5.362 5.259 5.157 5.058 4.960 25.270 23.276 21.157 19.221 17.510 16.015 14.708 13.563 12.558 11.670 10.884 10.182 9.555 8.991 8.481 7.601 7.445 7.293 7.147 7.007 6.871 6.739 6.612 6.489 6.369 6.253 6.140 6.031 5.924 5.820 5.719 5.620 5.523 5.429 5.336 5.244 24.764 22.945 20.914 19.033 17.363 15.899 14.618 13.496 12.512 11.644 10.877 10.195 9.587 9.042 8.551 7.708 7.558 7.414 7.275 7.141 7.012 6.888 6.767 6.650 6.538 6.428 6.322 6.219 6.119 6.022 5.927 5.835 5.745 5.656 5.570 5.485 24.217 22.579 20.640 18.816 17.188 15.756 14.502 13.404 12.440 11.592 10.844 10.181 9.590 9.064 8.591 7.783 7.640 7.502 7.370 7.242 7.120 7.001 6.887 6.777 6.670 6.567 6.467 6.371 6.277 6.186 6.097 6.011 5.927 5.845 5.764 5.686 99999.999 22.184 20.338 18.574 16.988 15.590 14.364 13.289 12.347 11.519 10.789 10.143 9.570 9.060 8.605 7.829 7.692 7.561 7.435 7.314 7.197 7.085 6.977 6.872 6.772 6.674 6.580 6.489 6.401 6.316 6.233 6.152 6.074 5.997 5.923 5.850 protoenstatite Mg2Si2O6 P-T:All Wt.(g/mol) = 200.774 V(cc/mol) = 64.760 D(g/cc) = 3.100 Ref: H&P2011 4 2.000 10 2.000 7 -4.000 1 -2.000 2 27.705 24.686 22.041 19.759 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.705 24.686 22.041 19.760 17.786 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.706 24.687 22.042 19.761 17.787 16.066 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.707 24.689 22.044 19.762 17.789 16.068 14.551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.710 24.692 22.047 19.766 17.792 16.071 14.554 13.201 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.714 24.696 22.052 19.771 17.797 16.076 14.560 13.207 11.986 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.719 24.703 22.059 19.778 17.805 16.084 14.568 13.216 11.996 10.875 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.728 24.713 22.070 19.789 17.816 16.096 14.580 13.229 12.010 10.890 9.840 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.738 24.726 22.084 19.803 17.831 16.111 14.597 13.247 12.029 10.912 9.866 8.859 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.752 24.743 22.102 19.822 17.850 16.132 14.618 13.270 12.054 10.941 9.899 8.900 7.922 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.769 24.765 22.125 19.846 17.875 16.158 14.646 13.300 12.087 10.977 9.942 8.953 7.986 7.049 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.790 24.791 22.154 19.876 17.907 16.190 14.681 13.337 12.128 11.023 9.996 9.019 8.069 7.132 6.312 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.805 24.811 22.176 19.899 17.930 16.215 14.707 13.365 12.158 11.057 10.036 9.068 8.132 7.205 6.266 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.824 24.838 22.205 19.930 17.962 16.249 14.743 13.404 12.201 11.105 10.092 9.137 8.219 7.313 6.344 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.842 24.863 22.233 19.959 17.993 16.282 14.778 13.442 12.242 11.151 10.145 9.203 8.303 7.421 6.472 10.555 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.857 24.886 22.259 19.988 18.023 16.313 14.811 13.478 12.282 11.196 10.197 9.265 8.382 7.525 6.614 7.609 8.795 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.871 24.907 22.284 20.014 18.051 16.343 14.843 13.513 12.320 11.238 10.246 9.324 8.457 7.624 6.755 6.936 7.301 8.014 9.058 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.882 24.927 22.307 20.040 18.079 16.372 14.874 13.546 12.356 11.279 10.293 9.381 8.528 7.717 6.890 6.665 6.771 7.038 7.510 8.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.892 24.946 22.329 20.064 18.104 16.400 14.904 13.578 12.392 11.319 10.338 9.435 8.595 7.804 7.015 6.535 6.526 6.607 6.803 7.129 7.569 8.049 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.900 24.962 22.350 20.087 18.129 16.426 14.932 13.609 12.426 11.357 10.382 9.486 8.657 7.884 7.130 6.472 6.401 6.387 6.444 6.586 6.817 7.123 7.463 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.906 24.978 22.369 20.109 18.152 16.451 14.959 13.639 12.459 11.393 10.423 9.534 8.716 7.957 7.232 6.446 6.337 6.268 6.247 6.284 6.384 6.549 6.766 7.012 7.257 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.911 24.992 22.388 20.129 18.175 16.475 14.986 13.668 12.490 11.428 10.463 9.580 8.770 8.024 7.324 6.441 6.308 6.204 6.135 6.108 6.127 6.196 6.312 6.467 6.648 6.835 7.012 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.914 25.004 22.404 20.148 18.196 16.498 15.011 13.695 12.521 11.462 10.501 9.624 8.821 8.086 7.404 6.451 6.300 6.173 6.074 6.005 5.971 5.975 6.018 6.098 6.210 6.343 6.487 6.633 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.915 25.016 22.420 20.167 18.216 16.521 15.035 13.722 12.550 11.495 10.538 9.666 8.869 8.142 7.475 6.470 6.307 6.164 6.043 5.946 5.876 5.836 5.827 5.851 5.904 5.983 6.082 6.194 6.313 6.435 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.915 25.026 22.435 20.184 18.235 16.542 15.058 13.747 12.578 11.526 10.573 9.705 8.914 8.193 7.536 6.495 6.323 6.169 6.032 5.915 5.820 5.749 5.704 5.685 5.693 5.725 5.780 5.853 5.941 6.039 6.145 99999.999 99999.999 99999.999 99999.999 99999.999 27.913 25.035 22.448 20.200 18.254 16.562 15.080 13.772 12.605 11.556 10.607 9.743 8.956 8.240 7.590 6.524 6.346 6.183 6.035 5.904 5.791 5.697 5.625 5.575 5.548 5.543 5.560 5.596 5.650 5.719 5.800 5.892 5.995 99999.999 99999.999 99999.999 27.910 25.042 22.460 20.215 18.271 16.581 15.101 13.795 12.631 11.586 10.639 9.779 8.995 8.283 7.638 6.556 6.374 6.204 6.048 5.906 5.779 5.670 5.578 5.504 5.450 5.416 5.402 5.406 5.429 5.467 5.521 5.588 5.668 5.761 99999.999 99999.999 27.906 25.048 22.471 20.229 18.287 16.599 15.122 13.818 12.656 11.614 10.671 9.814 9.033 8.324 7.680 6.590 6.404 6.230 6.067 5.917 5.781 5.659 5.552 5.461 5.386 5.329 5.290 5.268 5.263 5.274 5.301 5.343 5.398 5.467 5.550 5.646 27.900 25.054 22.482 20.242 18.302 16.616 15.141 13.839 12.681 11.641 10.701 9.847 9.069 8.362 7.721 6.626 6.437 6.259 6.091 5.935 5.791 5.660 5.541 5.437 5.347 5.272 5.213 5.169 5.141 5.128 5.131 5.148 5.180 5.225 5.285 5.358 27.773 25.048 22.532 20.326 18.411 16.746 15.291 14.011 12.877 11.864 10.952 10.127 9.378 8.696 8.074 6.989 6.794 6.607 6.426 6.252 6.085 5.923 5.768 5.619 5.476 5.338 5.207 5.082 4.963 4.850 4.743 4.643 4.550 4.463 4.383 4.309 27.541 24.953 22.502 20.336 18.450 16.808 15.375 14.117 13.004 12.015 11.128 10.329 9.606 8.948 8.349 7.302 7.114 6.932 6.755 6.585 6.420 6.260 6.105 5.954 5.808 5.667 5.529 5.395 5.266 5.139 5.017 4.898 4.782 4.670 4.561 4.455 27.225 24.788 22.409 20.287 18.433 16.817 15.406 14.169 13.078 12.110 11.246 10.471 9.771 9.137 8.560 7.555 7.374 7.199 7.030 6.867 6.708 6.554 6.405 6.261 6.120 5.983 5.850 5.720 5.593 5.470 5.349 5.231 5.116 5.003 4.892 4.784 26.842 24.564 22.264 20.191 18.370 16.782 15.395 14.179 13.109 12.161 11.319 10.564 9.886 9.274 8.719 7.753 7.580 7.413 7.252 7.095 6.944 6.798 6.656 6.518 6.384 6.254 6.127 6.004 5.884 5.766 5.652 5.539 5.429 5.322 5.216 5.112 26.403 24.292 22.075 20.053 18.270 16.711 15.348 14.154 13.104 12.176 11.353 10.619 9.961 9.369 8.834 7.907 7.741 7.581 7.427 7.278 7.134 6.994 6.859 6.729 6.602 6.478 6.359 6.242 6.128 6.018 5.910 5.804 5.701 5.600 5.500 5.403 25.917 23.980 21.849 19.882 18.138 16.608 15.271 14.099 13.069 12.161 11.357 10.642 10.003 9.429 8.913 8.022 7.863 7.710 7.563 7.420 7.283 7.150 7.022 6.898 6.778 6.661 6.548 6.438 6.331 6.226 6.125 6.026 5.929 5.834 5.741 5.650 25.391 23.633 21.591 19.681 17.977 16.480 15.168 14.019 13.010 12.121 11.335 10.638 10.016 9.460 8.961 8.104 7.952 7.806 7.665 7.529 7.398 7.272 7.150 7.032 6.917 6.807 6.700 6.596 6.495 6.397 6.301 6.208 6.117 6.028 5.942 5.857 99999.999 23.256 21.306 19.454 17.793 16.328 15.043 13.917 12.928 12.058 11.290 10.610 10.006 9.467 8.984 8.159 8.013 7.873 7.738 7.608 7.483 7.363 7.247 7.134 7.026 6.921 6.820 6.721 6.626 6.534 6.444 6.356 6.271 6.188 6.106 6.027 epidote Ca2Al2FeSi3O13H Ssln ID, Coef: 3 1.000 P-T:All Wt.(g/mol) = 483.230 V(cc/mol) = 139.200 D(g/cc) = 3.471 Ref: H&P2011 8 -11.875 1 -0.125 6 2.000 9 2.000 8 3.000 7 0.125 4 1.000 11 0.500 2 45.125 38.907 33.453 28.711 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.125 38.907 33.453 28.711 24.564 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.128 38.910 33.456 28.714 24.567 20.899 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.133 38.916 33.461 28.719 24.572 20.904 17.618 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.141 38.925 33.470 28.728 24.581 20.914 17.628 14.642 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.155 38.939 33.485 28.743 24.596 20.929 17.643 14.658 11.907 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.175 38.960 33.506 28.764 24.617 20.951 17.666 14.683 11.933 9.353 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.203 38.990 33.536 28.795 24.648 20.982 17.699 14.718 11.972 9.396 6.918 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.242 39.032 33.578 28.836 24.690 21.026 17.744 14.766 12.024 9.454 6.987 4.554 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.293 39.086 33.633 28.892 24.746 21.082 17.804 14.829 12.093 9.531 7.078 4.665 2.254 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.357 39.155 33.703 28.962 24.817 21.156 17.880 14.911 12.181 9.630 7.194 4.808 2.427 0.114 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.438 39.242 33.792 29.051 24.907 21.248 17.977 15.013 12.292 9.755 7.340 4.988 2.650 0.319 -1.579 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.497 39.308 33.859 29.119 24.975 21.318 18.050 15.091 12.377 9.849 7.450 5.123 2.821 0.509 -1.820 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.579 39.399 33.952 29.213 25.071 21.416 18.152 15.200 12.495 9.980 7.603 5.312 3.061 0.801 -1.667 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.657 39.486 34.042 29.304 25.163 21.511 18.252 15.306 12.609 10.107 7.750 5.492 3.292 1.097 -1.333 13.714 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.731 39.570 34.129 29.392 25.253 21.603 18.348 15.408 12.720 10.229 7.891 5.664 3.512 1.385 -0.946 3.543 7.852 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.801 39.650 34.212 29.477 25.340 21.693 18.441 15.507 12.827 10.348 8.028 5.829 3.721 1.660 -0.552 1.170 2.650 5.333 9.220 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.867 39.728 34.293 29.560 25.424 21.779 18.532 15.604 12.931 10.463 8.159 5.986 3.918 1.919 -0.173 0.167 0.758 1.897 3.749 6.270 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.929 39.802 34.371 29.640 25.506 21.864 18.620 15.697 13.032 10.574 8.285 6.136 4.103 2.161 0.181 -0.347 -0.157 0.337 1.226 2.573 4.331 6.273 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.987 39.873 34.446 29.717 25.585 21.945 18.706 15.788 13.130 10.682 8.407 6.278 4.277 2.384 0.504 -0.630 -0.658 -0.494 -0.087 0.611 1.621 2.903 4.332 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.042 39.941 34.519 29.792 25.662 22.025 18.789 15.876 13.225 10.786 8.524 6.414 4.440 2.589 0.793 -0.783 -0.945 -0.974 -0.840 -0.511 0.037 0.809 1.772 2.853 3.949 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.094 40.006 34.589 29.864 25.736 22.102 18.869 15.962 13.317 10.887 8.637 6.543 4.593 2.776 1.050 -0.858 -1.108 -1.260 -1.295 -1.192 -0.932 -0.503 0.094 0.833 1.668 2.539 3.391 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.142 40.069 34.656 29.934 25.808 22.176 18.948 16.045 13.407 10.985 8.746 6.666 4.735 2.947 1.275 -0.881 -1.192 -1.428 -1.575 -1.620 -1.548 -1.348 -1.013 -0.549 0.026 0.683 1.385 2.098 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.188 40.128 34.721 30.002 25.878 22.249 19.024 16.126 13.494 11.081 8.851 6.784 4.869 3.101 1.469 -0.870 -1.226 -1.520 -1.746 -1.892 -1.948 -1.905 -1.755 -1.497 -1.136 -0.684 -0.160 0.413 1.014 1.629 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.230 40.185 34.784 30.067 25.946 22.319 19.098 16.205 13.579 11.173 8.952 6.896 4.994 3.242 1.638 -0.835 -1.223 -1.561 -1.843 -2.061 -2.208 -2.276 -2.259 -2.153 -1.958 -1.677 -1.319 -0.897 -0.425 0.085 0.625 99999.999 99999.999 99999.999 99999.999 99999.999 46.269 40.240 34.844 30.130 26.012 22.388 19.170 16.281 13.662 11.263 9.050 7.003 5.111 3.371 1.783 -0.782 -1.195 -1.566 -1.889 -2.160 -2.374 -2.523 -2.603 -2.610 -2.542 -2.397 -2.180 -1.896 -1.553 -1.160 -0.725 -0.252 0.256 99999.999 99999.999 99999.999 46.305 40.292 34.902 30.192 26.075 22.454 19.239 16.356 13.742 11.350 9.145 7.107 5.223 3.491 1.911 -0.717 -1.149 -1.545 -1.900 -2.211 -2.474 -2.684 -2.837 -2.929 -2.957 -2.919 -2.817 -2.651 -2.426 -2.146 -1.817 -1.443 -1.028 -0.572 99999.999 99999.999 46.338 40.342 34.958 30.251 26.137 22.519 19.307 16.428 13.820 11.434 9.237 7.206 5.329 3.602 2.025 -0.642 -1.090 -1.505 -1.884 -2.226 -2.526 -2.783 -2.991 -3.148 -3.251 -3.297 -3.286 -3.218 -3.094 -2.916 -2.687 -2.411 -2.090 -1.726 -1.318 -0.868 46.369 40.389 35.012 30.308 26.197 22.581 19.373 16.499 13.896 11.517 9.327 7.303 5.432 3.709 2.133 -0.561 -1.021 -1.450 -1.849 -2.215 -2.545 -2.836 -3.087 -3.295 -3.456 -3.568 -3.631 -3.642 -3.603 -3.513 -3.374 -3.188 -2.956 -2.680 -2.361 -1.999 46.534 40.746 35.446 30.784 26.703 23.116 19.941 17.106 14.553 12.232 10.106 8.147 6.338 4.664 3.116 0.368 -0.130 -0.611 -1.076 -1.525 -1.959 -2.377 -2.779 -3.165 -3.536 -3.891 -4.229 -4.551 -4.856 -5.143 -5.412 -5.662 -5.894 -6.106 -6.299 -6.472 46.488 40.924 35.720 31.111 27.066 23.511 20.368 17.570 15.059 12.786 10.714 8.813 7.060 5.439 3.938 1.253 0.761 0.283 -0.182 -0.635 -1.075 -1.504 -1.922 -2.329 -2.726 -3.113 -3.491 -3.859 -4.218 -4.569 -4.911 -5.244 -5.570 -5.887 -6.196 -6.497 46.273 40.959 35.866 31.319 27.318 23.797 20.687 17.922 15.448 13.218 11.192 9.340 7.639 6.069 4.616 2.014 1.537 1.073 0.620 0.179 -0.251 -0.670 -1.080 -1.480 -1.872 -2.255 -2.631 -2.999 -3.361 -3.716 -4.065 -4.408 -4.746 -5.079 -5.407 -5.730 45.922 40.880 35.907 31.431 27.477 23.994 20.918 18.186 15.746 13.553 11.568 9.760 8.105 6.581 5.174 2.658 2.196 1.747 1.310 0.884 0.469 0.063 -0.333 -0.720 -1.099 -1.470 -1.834 -2.191 -2.541 -2.886 -3.226 -3.560 -3.890 -4.216 -4.538 -4.856 45.460 40.704 35.863 31.462 27.561 24.118 21.076 18.377 15.969 13.810 11.862 10.094 8.479 6.997 5.632 3.198 2.752 2.319 1.897 1.486 1.086 0.695 0.314 -0.059 -0.423 -0.780 -1.130 -1.473 -1.810 -2.141 -2.467 -2.788 -3.105 -3.417 -3.726 -4.032 44.906 40.450 35.746 31.426 27.580 24.180 21.174 18.507 16.131 14.004 12.089 10.356 8.778 7.335 6.008 3.650 3.220 2.801 2.394 1.997 1.611 1.235 0.868 0.509 0.159 -0.184 -0.519 -0.849 -1.172 -1.489 -1.801 -2.108 -2.410 -2.709 -3.004 -3.295 44.274 40.129 35.567 31.333 27.546 24.190 21.220 18.586 16.241 14.144 12.260 10.559 9.015 7.607 6.316 4.028 3.611 3.206 2.813 2.430 2.058 1.695 1.341 0.996 0.659 0.329 0.006 -0.309 -0.619 -0.923 -1.222 -1.516 -1.805 -2.090 -2.372 -2.650 99999.999 39.751 35.336 31.189 27.463 24.155 21.223 18.621 16.307 14.239 12.384 10.713 9.200 7.823 6.564 4.342 3.938 3.546 3.165 2.795 2.435 2.085 1.743 1.410 1.086 0.768 0.458 0.154 -0.143 -0.435 -0.722 -1.003 -1.281 -1.554 -1.823 -2.089 epidote Ca2Al2FeSi3O13H Ssln ID, Coef: 3 1.000 P-T:All Wt.(g/mol) = 483.230 V(cc/mol) = 139.200 D(g/cc) = 3.471 Ref: H&P2011 7 -12.000 1 0.250 31 2.000 9 2.000 8 3.000 7 1.000 11 0.500 2 26.113 21.618 17.648 14.197 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.113 21.618 17.648 14.197 11.183 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.115 21.620 17.651 14.200 11.185 8.522 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.120 21.625 17.656 14.205 11.190 8.527 6.138 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.128 21.634 17.664 14.213 11.199 8.536 6.147 3.970 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.140 21.647 17.678 14.227 11.213 8.550 6.162 3.985 1.968 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.159 21.667 17.698 14.247 11.233 8.571 6.184 4.009 1.993 0.085 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.185 21.695 17.726 14.275 11.262 8.600 6.215 4.042 2.030 0.125 -1.731 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.221 21.733 17.765 14.314 11.301 8.641 6.257 4.087 2.079 0.181 -1.666 -3.520 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.267 21.784 17.816 14.366 11.354 8.695 6.313 4.147 2.145 0.254 -1.579 -3.414 -5.277 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.327 21.848 17.882 14.432 11.421 8.764 6.386 4.224 2.229 0.349 -1.469 -3.278 -5.114 -6.896 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.400 21.929 17.964 14.515 11.505 8.850 6.477 4.322 2.334 0.467 -1.330 -3.107 -4.903 -6.711 -8.062 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.454 21.989 18.026 14.578 11.569 8.916 6.545 4.395 2.414 0.556 -1.225 -2.978 -4.740 -6.533 -8.337 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.529 22.073 18.112 14.665 11.658 9.008 6.642 4.498 2.526 0.681 -1.080 -2.798 -4.511 -6.258 -8.218 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.599 22.153 18.195 14.750 11.744 9.097 6.735 4.597 2.634 0.801 -0.940 -2.626 -4.291 -5.978 -7.910 8.379 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.665 22.229 18.275 14.832 11.828 9.183 6.825 4.694 2.738 0.917 -0.805 -2.462 -4.081 -5.703 -7.545 -2.059 2.539 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.727 22.303 18.352 14.910 11.908 9.266 6.913 4.787 2.839 1.030 -0.676 -2.305 -3.881 -5.440 -7.169 -4.511 -2.814 0.117 4.300 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.785 22.373 18.427 14.987 11.986 9.347 6.998 4.878 2.938 1.138 -0.551 -2.155 -3.693 -5.192 -6.807 -5.558 -4.775 -3.430 -1.354 1.418 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.840 22.440 18.498 15.060 12.062 9.425 7.080 4.965 3.033 1.244 -0.431 -2.013 -3.516 -4.961 -6.468 -6.105 -5.733 -5.051 -3.966 -2.411 -0.429 1.753 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.891 22.504 18.566 15.131 12.135 9.501 7.160 5.050 3.125 1.345 -0.316 -1.877 -3.350 -4.748 -6.158 -6.413 -6.265 -5.924 -5.336 -4.450 -3.243 -1.755 -0.111 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.939 22.565 18.632 15.200 12.206 9.575 7.237 5.133 3.214 1.444 -0.205 -1.748 -3.195 -4.552 -5.881 -6.587 -6.578 -6.436 -6.129 -5.624 -4.895 -3.937 -2.781 -1.502 -0.203 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.983 22.623 18.696 15.266 12.274 9.646 7.312 5.213 3.301 1.539 -0.098 -1.626 -3.050 -4.374 -5.636 -6.680 -6.762 -6.747 -6.615 -6.344 -5.913 -5.309 -4.535 -3.614 -2.594 -1.535 -0.494 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.024 22.679 18.757 15.330 12.340 9.715 7.385 5.291 3.385 1.631 0.005 -1.509 -2.915 -4.212 -5.421 -6.719 -6.866 -6.937 -6.921 -6.802 -6.566 -6.199 -5.697 -5.063 -4.315 -3.484 -2.606 -1.716 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.062 22.732 18.815 15.391 12.404 9.782 7.455 5.366 3.467 1.721 0.104 -1.398 -2.788 -4.066 -5.236 -6.723 -6.915 -7.048 -7.113 -7.099 -6.996 -6.792 -6.482 -6.062 -5.537 -4.920 -4.231 -3.491 -2.724 -1.945 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.096 22.782 18.871 15.451 12.466 9.847 7.524 5.440 3.546 1.808 0.199 -1.292 -2.670 -3.932 -5.077 -6.701 -6.927 -7.106 -7.229 -7.290 -7.281 -7.193 -7.021 -6.758 -6.406 -5.968 -5.452 -4.872 -4.241 -3.574 -2.880 99999.999 99999.999 99999.999 99999.999 99999.999 27.128 22.829 18.925 15.508 12.526 9.910 7.590 5.511 3.623 1.892 0.292 -1.191 -2.559 -3.811 -4.940 -6.660 -6.913 -7.126 -7.293 -7.409 -7.469 -7.465 -7.394 -7.249 -7.028 -6.732 -6.363 -5.927 -5.433 -4.889 -4.304 -3.683 -3.030 99999.999 99999.999 99999.999 27.157 22.875 18.977 15.563 12.584 9.970 7.655 5.580 3.698 1.974 0.381 -1.093 -2.454 -3.699 -4.821 -6.606 -6.880 -7.118 -7.319 -7.477 -7.588 -7.648 -7.652 -7.595 -7.475 -7.290 -7.041 -6.728 -6.356 -5.931 -5.458 -4.941 -4.385 -3.791 99999.999 99999.999 27.183 22.918 19.027 15.616 12.640 10.029 7.717 5.647 3.771 2.053 0.467 -1.000 -2.354 -3.594 -4.714 -6.543 -6.832 -7.091 -7.317 -7.507 -7.658 -7.766 -7.828 -7.839 -7.797 -7.699 -7.545 -7.334 -7.068 -6.749 -6.380 -5.965 -5.507 -5.007 -4.467 -3.886 27.206 22.958 19.074 15.668 12.695 10.087 7.778 5.712 3.842 2.130 0.552 -0.909 -2.257 -3.494 -4.614 -6.472 -6.773 -7.048 -7.295 -7.510 -7.692 -7.837 -7.943 -8.007 -8.026 -7.997 -7.919 -7.792 -7.613 -7.386 -7.111 -6.789 -6.424 -6.016 -5.567 -5.077 27.300 23.248 19.446 16.085 13.145 10.568 8.294 6.269 4.448 2.795 1.279 -0.117 -1.407 -2.598 -3.695 -5.623 -5.968 -6.300 -6.618 -6.924 -7.217 -7.496 -7.763 -8.017 -8.256 -8.482 -8.694 -8.891 -9.073 -9.239 -9.389 -9.522 -9.638 -9.736 -9.816 -9.878 27.183 23.362 19.660 16.356 13.455 10.913 8.673 6.685 4.907 3.302 1.840 0.500 -0.734 -1.874 -2.927 -4.799 -5.140 -5.471 -5.792 -6.104 -6.406 -6.700 -6.986 -7.263 -7.533 -7.796 -8.051 -8.299 -8.541 -8.776 -9.004 -9.225 -9.440 -9.649 -9.852 -10.049 26.898 23.335 19.748 16.510 13.655 11.150 8.944 6.992 5.253 3.690 2.275 0.984 -0.199 -1.289 -2.296 -4.089 -4.416 -4.735 -5.045 -5.346 -5.639 -5.926 -6.205 -6.478 -6.744 -7.005 -7.261 -7.511 -7.757 -7.999 -8.236 -8.470 -8.701 -8.928 -9.152 -9.374 26.479 23.193 19.733 16.569 13.765 11.300 9.130 7.212 5.508 3.983 2.610 1.363 0.225 -0.819 -1.780 -3.491 -3.803 -4.106 -4.402 -4.689 -4.969 -5.242 -5.508 -5.769 -6.024 -6.274 -6.519 -6.759 -6.996 -7.229 -7.458 -7.685 -7.909 -8.131 -8.351 -8.569 25.950 22.958 19.633 16.549 13.801 11.378 9.244 7.361 5.690 4.201 2.864 1.658 0.561 -0.441 -1.361 -2.991 -3.288 -3.577 -3.857 -4.130 -4.395 -4.654 -4.907 -5.153 -5.395 -5.631 -5.862 -6.090 -6.313 -6.533 -6.751 -6.965 -7.177 -7.386 -7.594 -7.801 25.329 22.644 19.462 16.462 13.773 11.395 9.300 7.450 5.812 4.356 3.054 1.883 0.823 -0.141 -1.022 -2.577 -2.859 -3.133 -3.399 -3.658 -3.909 -4.154 -4.393 -4.626 -4.853 -5.076 -5.294 -5.508 -5.718 -5.925 -6.128 -6.329 -6.528 -6.724 -6.919 -7.112 24.630 22.264 19.230 16.319 13.692 11.361 9.304 7.489 5.884 4.459 3.188 2.050 1.025 0.096 -0.750 -2.234 -2.503 -2.763 -3.016 -3.261 -3.499 -3.731 -3.957 -4.176 -4.391 -4.601 -4.806 -5.007 -5.205 -5.398 -5.589 -5.777 -5.963 -6.146 -6.328 -6.508 99999.999 21.828 18.946 16.127 13.564 11.283 9.266 7.486 5.912 4.517 3.277 2.169 1.175 0.278 -0.535 -1.954 -2.210 -2.457 -2.697 -2.930 -3.156 -3.375 -3.589 -3.796 -3.999 -4.197 -4.390 -4.579 -4.764 -4.946 -5.125 -5.302 -5.475 -5.647 -5.817 -5.985 clinozoisite Ca2Al3Si3O13H Ssln ID, Coef: 3 1.000 P-T:All Wt.(g/mol) = 454.360 V(cc/mol) = 136.300 D(g/cc) = 3.334 Ref: H&P2011 5 2.000 9 3.000 8 3.000 7 1.000 2 -13.000 1 45.727 38.744 32.636 27.331 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.727 38.744 32.637 27.331 22.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.730 38.747 32.640 27.334 22.694 18.588 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.735 38.753 32.645 27.340 22.700 18.594 14.913 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.744 38.762 32.655 27.350 22.710 18.604 14.924 11.578 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.758 38.778 32.671 27.366 22.725 18.620 14.941 11.596 8.511 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.780 38.801 32.694 27.389 22.749 18.645 14.966 11.623 8.541 5.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.810 38.833 32.727 27.422 22.782 18.679 15.002 11.661 8.583 5.696 2.923 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.852 38.878 32.772 27.467 22.828 18.726 15.051 11.713 8.640 5.760 2.998 0.280 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.906 38.937 32.832 27.527 22.889 18.788 15.116 11.783 8.715 5.844 3.097 0.401 -2.275 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.975 39.012 32.908 27.604 22.967 18.868 15.200 11.872 8.812 5.952 3.224 0.557 -2.091 -4.619 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.061 39.106 33.004 27.701 23.065 18.969 15.305 11.984 8.933 6.088 3.383 0.753 -1.850 -4.416 -6.367 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.125 39.177 33.077 27.775 23.140 19.046 15.385 12.069 9.026 6.191 3.503 0.901 -1.665 -4.217 -6.716 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.213 39.276 33.179 27.877 23.244 19.153 15.497 12.189 9.155 6.335 3.670 1.107 -1.403 -3.906 -6.601 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.297 39.371 33.277 27.977 23.345 19.257 15.606 12.304 9.280 6.474 3.832 1.304 -1.152 -3.587 -6.260 12.501 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.376 39.462 33.372 28.074 23.443 19.358 15.712 12.417 9.402 6.609 3.987 1.493 -0.911 -3.274 -5.847 -0.063 5.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.452 39.550 33.463 28.167 23.539 19.456 15.814 12.526 9.520 6.739 4.137 1.674 -0.682 -2.973 -5.420 -3.010 -1.107 2.293 7.243 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.523 39.634 33.552 28.258 23.631 19.552 15.914 12.632 9.634 6.865 4.281 1.846 -0.466 -2.690 -5.006 -4.276 -3.469 -1.982 0.395 3.636 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.590 39.715 33.637 28.345 23.721 19.644 16.011 12.735 9.745 6.988 4.420 2.011 -0.262 -2.425 -4.619 -4.943 -4.629 -3.940 -2.760 -1.004 1.282 3.839 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.654 39.793 33.720 28.430 23.808 19.734 16.105 12.835 9.853 7.106 4.553 2.167 -0.071 -2.180 -4.265 -5.323 -5.279 -4.999 -4.417 -3.472 -2.133 -0.440 1.459 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.714 39.868 33.800 28.513 23.892 19.822 16.197 12.932 9.958 7.221 4.682 2.316 0.108 -1.956 -3.947 -5.542 -5.665 -5.624 -5.381 -4.896 -4.136 -3.092 -1.799 -0.344 1.152 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.771 39.940 33.877 28.593 23.975 19.906 16.286 13.026 10.060 7.332 4.807 2.458 0.275 -1.751 -3.666 -5.664 -5.897 -6.009 -5.977 -5.773 -5.373 -4.760 -3.935 -2.924 -1.783 -0.583 0.609 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.824 40.009 33.952 28.670 24.054 19.989 16.372 13.118 10.159 7.441 4.926 2.594 0.431 -1.565 -3.421 -5.721 -6.031 -6.248 -6.355 -6.335 -6.170 -5.845 -5.350 -4.692 -3.889 -2.976 -1.999 -0.997 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.874 40.075 34.024 28.745 24.132 20.069 16.456 13.208 10.255 7.546 5.042 2.723 0.577 -1.396 -3.209 -5.734 -6.100 -6.391 -6.596 -6.703 -6.699 -6.570 -6.309 -5.911 -5.382 -4.736 -3.995 -3.187 -2.338 -1.468 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.920 40.138 34.093 28.818 24.207 20.147 16.538 13.295 10.349 7.647 5.154 2.846 0.714 -1.243 -3.027 -5.716 -6.124 -6.470 -6.746 -6.944 -7.053 -7.065 -6.970 -6.764 -6.446 -6.018 -5.493 -4.885 -4.210 -3.484 -2.721 99999.999 99999.999 99999.999 99999.999 99999.999 46.963 40.199 34.160 28.888 24.280 20.223 16.618 13.380 10.440 7.747 5.262 2.964 0.843 -1.103 -2.870 -5.676 -6.116 -6.503 -6.832 -7.097 -7.290 -7.403 -7.431 -7.368 -7.209 -6.956 -6.610 -6.181 -5.675 -5.106 -4.482 -3.811 -3.097 99999.999 99999.999 99999.999 47.004 40.257 34.225 28.956 24.351 20.297 16.696 13.462 10.529 7.843 5.367 3.078 0.965 -0.973 -2.733 -5.619 -6.084 -6.503 -6.873 -7.188 -7.443 -7.634 -7.753 -7.797 -7.761 -7.643 -7.444 -7.165 -6.811 -6.389 -5.905 -5.366 -4.774 -4.134 99999.999 99999.999 47.041 40.312 34.288 29.022 24.420 20.369 16.771 13.543 10.616 7.937 5.469 3.187 1.082 -0.852 -2.611 -5.550 -6.034 -6.478 -6.879 -7.234 -7.538 -7.786 -7.976 -8.102 -8.160 -8.149 -8.066 -7.912 -7.687 -7.396 -7.042 -6.629 -6.160 -5.639 -5.066 -4.442 47.075 40.365 34.348 29.086 24.486 20.439 16.845 13.621 10.700 8.028 5.568 3.294 1.194 -0.736 -2.496 -5.472 -5.972 -6.436 -6.861 -7.247 -7.588 -7.882 -8.126 -8.316 -8.448 -8.521 -8.531 -8.478 -8.361 -8.182 -7.943 -7.645 -7.292 -6.884 -6.425 -5.914 47.275 40.775 34.841 29.624 25.057 21.040 17.481 14.301 11.433 8.825 6.433 4.229 2.192 0.309 -1.431 -4.508 -5.063 -5.598 -6.115 -6.612 -7.091 -7.551 -7.993 -8.415 -8.818 -9.202 -9.566 -9.910 -10.233 -10.535 -10.814 -11.072 -11.307 -11.518 -11.706 -11.870 47.254 40.998 35.167 30.006 25.477 21.494 17.969 14.827 12.005 9.449 7.116 4.973 2.996 1.168 -0.525 -3.550 -4.103 -4.640 -5.162 -5.670 -6.164 -6.644 -7.111 -7.566 -8.008 -8.440 -8.859 -9.268 -9.666 -10.054 -10.431 -10.799 -11.156 -11.504 -11.842 -12.171 47.057 41.072 35.359 30.264 25.779 21.832 18.341 15.236 12.453 9.942 7.659 5.570 3.648 1.874 0.231 -2.710 -3.250 -3.775 -4.286 -4.784 -5.269 -5.742 -6.205 -6.656 -7.097 -7.529 -7.952 -8.366 -8.772 -9.171 -9.562 -9.947 -10.326 -10.698 -11.066 -11.428 46.720 41.026 35.442 30.420 25.985 22.077 18.621 15.549 12.803 10.332 8.092 6.051 4.178 2.453 0.859 -1.993 -2.517 -3.026 -3.522 -4.005 -4.476 -4.936 -5.385 -5.823 -6.253 -6.673 -7.086 -7.490 -7.887 -8.278 -8.662 -9.041 -9.414 -9.782 -10.146 -10.506 46.266 40.880 35.434 30.492 26.112 22.244 18.824 15.786 13.074 10.638 8.438 6.438 4.610 2.931 1.381 -1.385 -1.892 -2.385 -2.865 -3.332 -3.788 -4.232 -4.667 -5.091 -5.506 -5.912 -6.310 -6.701 -7.084 -7.461 -7.832 -8.198 -8.558 -8.914 -9.266 -9.614 45.718 40.652 35.351 30.494 26.171 22.347 18.964 15.959 13.280 10.877 8.712 6.750 4.961 3.323 1.815 -0.870 -1.361 -1.839 -2.303 -2.755 -3.196 -3.626 -4.045 -4.454 -4.855 -5.246 -5.630 -6.006 -6.375 -6.738 -7.095 -7.446 -7.792 -8.134 -8.471 -8.804 45.088 40.354 35.204 30.435 26.173 22.395 19.049 16.078 13.430 11.060 8.927 6.998 5.246 3.644 2.174 -0.435 -0.912 -1.374 -1.824 -2.262 -2.688 -3.104 -3.509 -3.905 -4.291 -4.669 -5.039 -5.401 -5.756 -6.105 -6.448 -6.785 -7.117 -7.445 -7.768 -8.087 99999.999 39.998 35.002 30.324 26.125 22.395 19.088 16.151 13.534 11.194 9.091 7.194 5.474 3.906 2.471 -0.069 -0.532 -0.981 -1.417 -1.842 -2.255 -2.657 -3.049 -3.431 -3.805 -4.169 -4.526 -4.876 -5.218 -5.554 -5.884 -6.209 -6.528 -6.842 -7.153 -7.459 epidote-Fe Ca2AlFe2Si3O13H P-T:All Wt.(g/mol) = 512.090 V(cc/mol) = 142.100 D(g/cc) = 3.604 Ref: H&P2011 7 2.000 9 1.000 8 2.000 11 3.000 7 0.250 4 -10.750 1 -0.250 6 49.025 43.193 38.075 33.628 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.025 43.193 38.075 33.628 29.744 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.028 43.196 38.077 33.631 29.747 26.319 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.032 43.201 38.082 33.635 29.752 26.324 23.259 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.040 43.209 38.090 33.644 29.760 26.332 23.268 20.490 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.053 43.222 38.104 33.657 29.773 26.346 23.282 20.505 17.952 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.072 43.242 38.123 33.676 29.793 26.366 23.303 20.528 17.977 15.588 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.098 43.270 38.151 33.704 29.821 26.395 23.333 20.560 18.011 15.627 13.339 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.134 43.308 38.189 33.742 29.859 26.434 23.374 20.603 18.059 15.680 13.402 11.157 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.182 43.358 38.239 33.793 29.910 26.486 23.428 20.661 18.121 15.750 13.484 11.259 9.028 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.242 43.421 38.304 33.857 29.975 26.552 23.497 20.734 18.201 15.840 13.590 11.389 9.189 7.014 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.316 43.501 38.384 33.938 30.057 26.636 23.585 20.827 18.302 15.952 13.722 11.553 9.394 7.220 5.306 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.371 43.561 38.445 33.999 30.119 26.699 23.651 20.898 18.378 16.038 13.822 11.676 9.551 7.403 5.173 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.447 43.644 38.530 34.085 30.205 26.788 23.743 20.996 18.485 16.156 13.960 11.847 9.770 7.675 5.364 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.519 43.724 38.612 34.167 30.289 26.874 23.833 21.091 18.588 16.271 14.093 12.010 9.979 7.947 5.690 16.900 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.587 43.800 38.691 34.247 30.370 26.957 23.920 21.184 18.688 16.382 14.221 12.166 10.179 8.210 6.051 9.123 12.320 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.651 43.874 38.767 34.324 30.449 27.038 24.004 21.273 18.785 16.489 14.344 12.314 10.367 8.460 6.412 7.324 8.359 10.304 13.108 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.712 43.944 38.840 34.399 30.524 27.116 24.086 21.360 18.878 16.592 14.462 12.456 10.546 8.695 6.757 6.585 6.937 7.707 9.013 10.795 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.769 44.011 38.910 34.471 30.598 27.192 24.165 21.444 18.969 16.692 14.576 12.591 10.713 8.914 7.077 6.222 6.267 6.545 7.122 8.041 9.251 10.560 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.822 44.075 38.978 34.540 30.669 27.265 24.242 21.526 19.057 16.789 14.686 12.719 10.870 9.115 7.368 6.037 5.916 5.942 6.153 6.584 7.246 8.099 9.039 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.872 44.136 39.043 34.607 30.738 27.337 24.317 21.605 19.143 16.883 14.791 12.842 11.017 9.301 7.630 5.950 5.727 5.607 5.611 5.763 6.080 6.562 7.178 7.867 8.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.919 44.195 39.106 34.672 30.805 27.406 24.389 21.682 19.226 16.974 14.893 12.958 11.155 9.470 7.862 5.922 5.633 5.420 5.296 5.278 5.379 5.607 5.957 6.407 6.919 7.445 7.942 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.963 44.251 39.166 34.735 30.869 27.472 24.459 21.756 19.306 17.062 14.991 13.069 11.284 9.625 8.066 5.932 5.598 5.322 5.114 4.985 4.945 5.002 5.159 5.410 5.741 6.126 6.536 6.947 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.003 44.304 39.224 34.795 30.932 27.537 24.527 21.829 19.384 17.147 15.085 13.175 11.404 9.766 8.244 5.968 5.600 5.281 5.015 4.810 4.674 4.614 4.633 4.734 4.910 5.152 5.443 5.766 6.105 6.450 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.041 44.355 39.280 34.854 30.992 27.600 24.593 21.899 19.460 17.230 15.176 13.276 11.518 9.894 8.398 6.021 5.629 5.278 4.970 4.712 4.509 4.365 4.286 4.275 4.330 4.448 4.623 4.843 5.098 5.379 5.680 99999.999 99999.999 99999.999 99999.999 99999.999 50.076 44.404 39.333 34.910 31.050 27.661 24.657 21.967 19.534 17.310 15.264 13.373 11.624 10.012 8.533 6.086 5.677 5.302 4.963 4.666 4.413 4.210 4.059 3.964 3.926 3.945 4.019 4.141 4.307 4.509 4.743 5.004 5.292 99999.999 99999.999 99999.999 50.108 44.450 39.385 34.964 31.107 27.720 24.719 22.034 19.605 17.388 15.349 13.466 11.725 10.121 8.651 6.159 5.737 5.344 4.983 4.656 4.367 4.119 3.915 3.757 3.648 3.589 3.579 3.617 3.699 3.822 3.982 4.176 4.402 4.660 99999.999 99999.999 50.137 44.493 39.434 35.017 31.162 27.777 24.780 22.098 19.675 17.464 15.431 13.555 11.822 10.223 8.758 6.239 5.806 5.400 5.021 4.672 4.356 4.074 3.829 3.624 3.460 3.339 3.262 3.229 3.238 3.288 3.377 3.503 3.664 3.859 4.088 4.353 50.163 44.535 39.482 35.067 31.215 27.833 24.838 22.161 19.742 17.537 15.511 13.642 11.915 10.321 8.858 6.323 5.882 5.465 5.073 4.707 4.370 4.062 3.786 3.544 3.337 3.168 3.037 2.946 2.894 2.880 2.905 2.966 3.063 3.195 3.362 3.563 50.295 44.839 39.856 35.480 31.656 28.301 25.337 22.696 20.323 18.171 16.204 14.396 12.728 11.185 9.759 7.218 6.755 6.307 5.873 5.452 5.045 4.651 4.269 3.901 3.546 3.204 2.876 2.561 2.260 1.973 1.701 1.444 1.202 0.976 0.766 0.573 50.223 44.972 40.078 35.752 31.963 28.638 25.704 23.097 20.763 18.655 16.738 14.982 13.367 11.877 10.497 8.029 7.576 7.136 6.708 6.291 5.885 5.488 5.102 4.725 4.357 3.998 3.646 3.303 2.968 2.640 2.320 2.007 1.701 1.401 1.109 0.824 49.990 44.969 40.178 35.911 32.163 28.871 25.969 23.394 21.094 19.025 17.151 15.442 13.874 12.431 11.097 8.713 8.276 7.850 7.436 7.033 6.639 6.255 5.879 5.513 5.154 4.802 4.458 4.120 3.789 3.463 3.143 2.828 2.518 2.212 1.911 1.614 49.626 44.856 40.178 35.978 32.276 29.021 26.150 23.607 21.339 19.305 17.469 15.800 14.275 12.875 11.584 9.282 8.861 8.451 8.052 7.663 7.285 6.915 6.554 6.201 5.856 5.518 5.187 4.862 4.543 4.229 3.921 3.617 3.317 3.022 2.730 2.441 49.156 44.651 40.097 35.969 32.317 29.101 26.264 23.751 21.515 19.513 17.711 16.079 14.592 13.231 11.979 9.754 9.348 8.953 8.569 8.195 7.830 7.475 7.129 6.790 6.459 6.136 5.819 5.508 5.203 4.903 4.608 4.318 4.032 3.750 3.472 3.196 48.596 44.371 39.946 35.896 32.297 29.122 26.320 23.839 21.633 19.661 17.891 16.292 14.839 13.514 12.298 10.144 9.752 9.371 9.000 8.640 8.290 7.948 7.615 7.290 6.973 6.663 6.360 6.062 5.771 5.485 5.204 4.927 4.655 4.386 4.122 3.860 47.962 44.026 39.736 35.767 32.226 29.094 26.328 23.879 21.702 19.760 18.018 16.449 15.029 13.736 12.553 10.465 10.086 9.717 9.360 9.013 8.675 8.346 8.026 7.713 7.409 7.111 6.820 6.535 6.256 5.983 5.714 5.450 5.191 4.935 4.683 4.435 99999.999 43.626 39.476 35.591 32.109 29.023 26.294 23.877 21.730 19.816 18.102 16.561 15.170 13.906 12.754 10.727 10.359 10.003 9.658 9.322 8.996 8.679 8.370 8.069 7.776 7.490 7.211 6.937 6.670 6.408 6.151 5.898 5.650 5.406 5.166 4.928 epidote-Fe Ca2AlFe2Si3O13H P-T:All Wt.(g/mol) = 512.090 V(cc/mol) = 142.100 D(g/cc) = 3.604 Ref: H&P2011 6 2.000 9 1.000 8 2.000 11 3.000 7 0.500 31 -11.000 1 11.001 8.614 6.465 4.600 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.001 8.614 6.465 4.600 2.982 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.003 8.616 6.467 4.602 2.984 1.564 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.007 8.620 6.471 4.606 2.989 1.569 0.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.013 8.628 6.478 4.613 2.996 1.576 0.306 -0.854 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.024 8.639 6.490 4.625 3.007 1.588 0.319 -0.841 -1.925 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.039 8.655 6.506 4.641 3.024 1.606 0.337 -0.821 -1.903 -2.948 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.062 8.679 6.530 4.665 3.049 1.631 0.364 -0.793 -1.873 -2.913 -3.960 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.092 8.711 6.563 4.698 3.082 1.665 0.400 -0.754 -1.831 -2.866 -3.904 -4.991 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.131 8.753 6.606 4.741 3.126 1.710 0.447 -0.703 -1.775 -2.803 -3.830 -4.900 -6.035 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.180 8.807 6.660 4.796 3.182 1.768 0.508 -0.638 -1.704 -2.723 -3.736 -4.783 -5.894 -7.007 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.240 8.873 6.729 4.866 3.252 1.840 0.584 -0.557 -1.615 -2.623 -3.617 -4.636 -5.711 -6.839 -7.661 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.285 8.923 6.780 4.918 3.305 1.895 0.642 -0.495 -1.547 -2.547 -3.528 -4.526 -5.571 -6.683 -7.862 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.346 8.992 6.851 4.990 3.379 1.972 0.722 -0.409 -1.453 -2.442 -3.405 -4.373 -5.375 -6.444 -7.738 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.402 9.057 6.919 5.060 3.450 2.045 0.800 -0.325 -1.363 -2.340 -3.286 -4.226 -5.186 -6.202 -7.464 6.231 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.455 9.119 6.984 5.127 3.519 2.117 0.875 -0.245 -1.275 -2.242 -3.172 -4.087 -5.007 -5.965 -7.146 -2.082 1.695 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.504 9.178 7.047 5.191 3.585 2.185 0.947 -0.167 -1.190 -2.148 -3.063 -3.953 -4.837 -5.740 -6.822 -4.038 -2.569 -0.127 3.267 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.550 9.234 7.106 5.253 3.649 2.252 1.017 -0.092 -1.108 -2.057 -2.958 -3.827 -4.676 -5.528 -6.510 -4.867 -4.128 -2.947 -1.192 1.092 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.592 9.287 7.163 5.312 3.710 2.316 1.085 -0.019 -1.029 -1.969 -2.857 -3.706 -4.526 -5.331 -6.220 -5.294 -4.885 -4.232 -3.262 -1.927 -0.269 1.519 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.630 9.337 7.218 5.369 3.769 2.377 1.150 0.051 -0.953 -1.884 -2.760 -3.592 -4.385 -5.149 -5.955 -5.529 -5.300 -4.919 -4.344 -3.538 -2.483 -1.217 0.153 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.665 9.385 7.270 5.423 3.826 2.437 1.214 0.119 -0.879 -1.802 -2.667 -3.483 -4.253 -4.982 -5.718 -5.658 -5.539 -5.317 -4.966 -4.462 -3.784 -2.929 -1.928 -0.843 0.242 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.697 9.429 7.320 5.476 3.881 2.494 1.275 0.184 -0.807 -1.723 -2.578 -3.380 -4.131 -4.831 -5.509 -5.723 -5.676 -5.555 -5.344 -5.024 -4.582 -4.006 -3.301 -2.487 -1.604 -0.702 0.172 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.726 9.471 7.367 5.526 3.934 2.550 1.334 0.248 -0.738 -1.646 -2.492 -3.282 -4.016 -4.693 -5.326 -5.744 -5.749 -5.696 -5.577 -5.379 -5.090 -4.702 -4.209 -3.617 -2.941 -2.207 -1.444 -0.682 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.752 9.511 7.412 5.574 3.984 2.603 1.391 0.309 -0.671 -1.572 -2.409 -3.189 -3.910 -4.568 -5.168 -5.738 -5.779 -5.775 -5.720 -5.605 -5.421 -5.162 -4.820 -4.395 -3.892 -3.320 -2.698 -2.042 -1.372 -0.698 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.775 9.548 7.455 5.620 4.033 2.655 1.446 0.369 -0.606 -1.501 -2.330 -3.100 -3.810 -4.455 -5.031 -5.711 -5.779 -5.811 -5.803 -5.747 -5.638 -5.469 -5.236 -4.935 -4.566 -4.133 -3.642 -3.106 -2.535 -1.939 -1.328 99999.999 99999.999 99999.999 99999.999 99999.999 11.795 9.583 7.496 5.665 4.080 2.705 1.499 0.426 -0.543 -1.431 -2.253 -3.015 -3.717 -4.352 -4.914 -5.671 -5.759 -5.818 -5.843 -5.831 -5.777 -5.675 -5.521 -5.312 -5.047 -4.724 -4.346 -3.920 -3.452 -2.948 -2.415 -1.858 -1.280 99999.999 99999.999 99999.999 11.812 9.615 7.534 5.707 4.125 2.753 1.550 0.482 -0.482 -1.364 -2.180 -2.934 -3.629 -4.257 -4.812 -5.620 -5.724 -5.803 -5.855 -5.875 -5.862 -5.809 -5.715 -5.576 -5.389 -5.153 -4.869 -4.538 -4.163 -3.749 -3.300 -2.820 -2.312 -1.776 99999.999 99999.999 11.826 9.645 7.571 5.747 4.168 2.799 1.600 0.536 -0.423 -1.300 -2.108 -2.856 -3.545 -4.169 -4.721 -5.561 -5.678 -5.773 -5.844 -5.890 -5.908 -5.893 -5.845 -5.758 -5.633 -5.465 -5.255 -5.003 -4.710 -4.377 -4.008 -3.605 -3.170 -2.705 -2.210 -1.684 11.838 9.673 7.606 5.786 4.210 2.843 1.648 0.588 -0.366 -1.237 -2.039 -2.781 -3.464 -4.084 -4.636 -5.497 -5.623 -5.731 -5.818 -5.884 -5.925 -5.940 -5.926 -5.882 -5.803 -5.690 -5.540 -5.352 -5.127 -4.866 -4.568 -4.237 -3.873 -3.477 -3.051 -2.594 11.826 9.844 7.856 6.082 4.540 3.205 2.043 1.022 0.114 -0.704 -1.449 -2.133 -2.762 -3.339 -3.864 -4.765 -4.921 -5.070 -5.212 -5.345 -5.471 -5.589 -5.699 -5.801 -5.894 -5.979 -6.054 -6.119 -6.175 -6.219 -6.253 -6.275 -6.285 -6.282 -6.267 -6.239 11.613 9.849 7.958 6.242 4.741 3.441 2.312 1.328 0.460 -0.313 -1.009 -1.642 -2.220 -2.749 -3.232 -4.075 -4.226 -4.371 -4.512 -4.647 -4.778 -4.904 -5.026 -5.144 -5.258 -5.368 -5.475 -5.578 -5.677 -5.773 -5.866 -5.955 -6.041 -6.124 -6.203 -6.279 11.241 9.720 7.942 6.292 4.839 3.576 2.483 1.533 0.702 -0.030 -0.683 -1.271 -1.802 -2.286 -2.726 -3.494 -3.631 -3.764 -3.893 -4.018 -4.139 -4.256 -4.371 -4.482 -4.591 -4.697 -4.801 -4.903 -5.003 -5.102 -5.200 -5.296 -5.392 -5.486 -5.581 -5.674 10.741 9.484 7.830 6.254 4.852 3.632 2.574 1.659 0.863 0.167 -0.447 -0.994 -1.483 -1.925 -2.324 -3.014 -3.138 -3.257 -3.372 -3.483 -3.591 -3.696 -3.798 -3.897 -3.994 -4.089 -4.183 -4.275 -4.365 -4.455 -4.544 -4.632 -4.721 -4.809 -4.897 -4.985 10.135 9.158 7.637 6.142 4.797 3.620 2.600 1.719 0.957 0.295 -0.284 -0.793 -1.244 -1.647 -2.007 -2.624 -2.733 -2.838 -2.940 -3.037 -3.132 -3.223 -3.312 -3.399 -3.483 -3.565 -3.646 -3.726 -3.804 -3.881 -3.958 -4.035 -4.111 -4.188 -4.264 -4.342 9.442 8.758 7.378 5.968 4.683 3.552 2.571 1.725 0.996 0.366 -0.180 -0.655 -1.071 -1.437 -1.762 -2.310 -2.405 -2.497 -2.585 -2.670 -2.751 -2.830 -2.906 -2.980 -3.051 -3.121 -3.189 -3.256 -3.322 -3.387 -3.452 -3.516 -3.580 -3.644 -3.708 -3.773 8.674 8.296 7.061 5.740 4.518 3.436 2.496 1.685 0.988 0.390 -0.125 -0.568 -0.952 -1.286 -1.578 -2.060 -2.143 -2.222 -2.297 -2.370 -2.439 -2.505 -2.569 -2.631 -2.691 -2.749 -2.805 -2.860 -2.914 -2.968 -3.020 -3.073 -3.125 -3.177 -3.230 -3.282 99999.999 7.780 6.695 5.467 4.310 3.279 2.380 1.605 0.941 0.373 -0.112 -0.526 -0.879 -1.183 -1.444 -1.865 -1.936 -2.003 -2.067 -2.128 -2.186 -2.241 -2.294 -2.344 -2.393 -2.439 -2.485 -2.529 -2.572 -2.615 -2.656 -2.698 -2.739 -2.780 -2.822 -2.864 fayalite Fe2SiO4 P-T:All Wt.(g/mol) = 203.780 V(cc/mol) = 46.310 D(g/cc) = 4.400 Ref: H&P2011 3 2.000 11 1.000 7 -4.000 1 22.513 19.905 17.647 15.701 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.513 19.905 17.647 15.701 14.012 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.514 19.906 17.648 15.702 14.013 12.533 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.515 19.908 17.649 15.703 14.015 12.535 11.222 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.518 19.910 17.652 15.706 14.018 12.538 11.225 10.046 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.522 19.915 17.657 15.711 14.022 12.543 11.230 10.051 8.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.528 19.922 17.664 15.718 14.029 12.550 11.237 10.059 8.987 7.995 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.537 19.931 17.673 15.727 14.039 12.560 11.248 10.070 8.998 8.008 7.072 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.550 19.944 17.686 15.740 14.052 12.573 11.262 10.085 9.015 8.026 7.094 6.191 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.566 19.961 17.704 15.758 14.070 12.591 11.280 10.105 9.036 8.050 7.122 6.226 5.344 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.586 19.983 17.726 15.780 14.092 12.614 11.304 10.130 9.064 8.081 7.158 6.271 5.399 4.551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.611 20.011 17.754 15.808 14.121 12.643 11.335 10.162 9.099 8.120 7.203 6.326 5.469 4.621 3.878 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.629 20.031 17.775 15.829 14.142 12.665 11.358 10.186 9.125 8.149 7.238 6.368 5.522 4.683 3.830 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.655 20.059 17.804 15.859 14.172 12.696 11.390 10.220 9.162 8.190 7.285 6.427 5.597 4.775 3.894 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.678 20.087 17.832 15.887 14.201 12.725 11.421 10.253 9.197 8.230 7.331 6.482 5.668 4.868 4.004 7.658 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.701 20.113 17.859 15.915 14.229 12.754 11.451 10.285 9.231 8.268 7.375 6.536 5.736 4.957 4.126 5.017 6.077 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.722 20.138 17.885 15.941 14.256 12.782 11.480 10.316 9.265 8.304 7.417 6.587 5.801 5.042 4.248 4.401 4.728 5.363 6.286 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.742 20.161 17.910 15.967 14.282 12.809 11.508 10.346 9.297 8.340 7.457 6.635 5.861 5.122 4.365 4.148 4.241 4.477 4.896 5.476 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.761 20.184 17.934 15.992 14.308 12.835 11.535 10.375 9.328 8.374 7.496 6.681 5.919 5.197 4.474 4.023 4.011 4.079 4.251 4.540 4.926 5.344 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.778 20.206 17.957 16.016 14.332 12.861 11.562 10.403 9.359 8.408 7.534 6.725 5.972 5.265 4.573 3.958 3.889 3.872 3.919 4.042 4.244 4.511 4.806 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.794 20.226 17.980 16.039 14.356 12.885 11.587 10.430 9.388 8.440 7.570 6.767 6.023 5.329 4.662 3.928 3.824 3.756 3.733 3.760 3.845 3.987 4.174 4.385 4.592 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.809 20.246 18.001 16.061 14.379 12.909 11.612 10.457 9.417 8.471 7.605 6.807 6.070 5.386 4.741 3.917 3.791 3.692 3.624 3.594 3.605 3.660 3.758 3.889 4.042 4.199 4.345 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.823 20.265 18.022 16.082 14.401 12.932 11.637 10.483 9.444 8.501 7.638 6.845 6.114 5.439 4.811 3.920 3.778 3.657 3.561 3.492 3.455 3.453 3.484 3.549 3.641 3.752 3.870 3.989 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.835 20.283 18.041 16.103 14.422 12.954 11.660 10.508 9.471 8.531 7.671 6.881 6.155 5.487 4.871 3.932 3.778 3.642 3.526 3.432 3.362 3.319 3.304 3.318 3.358 3.420 3.499 3.590 3.685 3.782 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.847 20.300 18.060 16.123 14.443 12.976 11.683 10.532 9.497 8.559 7.702 6.916 6.193 5.531 4.924 3.949 3.788 3.641 3.510 3.397 3.304 3.233 3.185 3.160 3.159 3.180 3.220 3.276 3.344 3.421 3.505 99999.999 99999.999 99999.999 99999.999 99999.999 22.858 20.316 18.078 16.142 14.463 12.997 11.705 10.555 9.523 8.587 7.732 6.949 6.230 5.571 4.969 3.971 3.803 3.648 3.507 3.381 3.271 3.179 3.106 3.053 3.020 3.007 3.014 3.037 3.075 3.127 3.188 3.259 3.339 99999.999 99999.999 99999.999 22.867 20.331 18.096 16.161 14.483 13.017 11.726 10.578 9.547 8.613 7.761 6.981 6.264 5.608 5.010 3.996 3.823 3.662 3.513 3.377 3.254 3.147 3.056 2.981 2.924 2.885 2.863 2.858 2.868 2.893 2.930 2.979 3.039 3.110 99999.999 99999.999 22.876 20.345 18.113 16.179 14.502 13.037 11.747 10.600 9.571 8.639 7.790 7.011 6.297 5.643 5.046 4.023 3.847 3.681 3.525 3.382 3.250 3.131 3.026 2.935 2.859 2.798 2.754 2.725 2.710 2.711 2.724 2.751 2.789 2.840 2.901 2.975 22.884 20.359 18.129 16.196 14.520 13.056 11.767 10.622 9.594 8.665 7.817 7.041 6.329 5.677 5.080 4.051 3.872 3.703 3.543 3.393 3.254 3.126 3.010 2.907 2.816 2.739 2.676 2.627 2.592 2.571 2.563 2.568 2.585 2.615 2.656 2.709 22.914 20.456 18.253 16.336 14.670 13.216 11.938 10.806 9.794 8.882 8.055 7.299 6.607 5.972 5.387 4.355 4.168 3.987 3.813 3.644 3.480 3.322 3.170 3.023 2.881 2.745 2.614 2.488 2.368 2.254 2.145 2.042 1.945 1.853 1.768 1.689 22.871 20.493 18.324 16.426 14.774 13.331 12.064 10.943 9.944 9.048 8.237 7.500 6.826 6.208 5.639 4.631 4.447 4.269 4.096 3.928 3.765 3.606 3.452 3.301 3.155 3.012 2.873 2.738 2.606 2.477 2.351 2.229 2.109 1.993 1.879 1.769 22.770 20.481 18.353 16.477 14.840 13.409 12.153 11.044 10.057 9.174 8.378 7.657 6.999 6.397 5.844 4.864 4.685 4.512 4.344 4.180 4.021 3.866 3.715 3.568 3.425 3.285 3.148 3.014 2.883 2.755 2.629 2.506 2.385 2.266 2.149 2.034 22.624 20.431 18.346 16.495 14.876 13.458 12.214 11.115 10.140 9.269 8.487 7.779 7.136 6.548 6.010 5.057 4.884 4.716 4.553 4.395 4.240 4.090 3.944 3.802 3.663 3.528 3.395 3.266 3.139 3.015 2.893 2.773 2.655 2.540 2.426 2.314 22.439 20.348 18.310 16.487 14.886 13.483 12.251 11.163 10.199 9.340 8.569 7.873 7.243 6.669 6.144 5.218 5.050 4.887 4.729 4.575 4.426 4.281 4.140 4.002 3.868 3.737 3.610 3.485 3.363 3.243 3.126 3.011 2.898 2.787 2.677 2.570 22.222 20.238 18.250 16.456 14.875 13.487 12.268 11.192 10.238 9.389 8.629 7.945 7.327 6.765 6.252 5.350 5.187 5.029 4.875 4.726 4.582 4.441 4.305 4.172 4.042 3.916 3.793 3.673 3.555 3.440 3.328 3.217 3.109 3.002 2.898 2.795 21.979 20.106 18.169 16.406 14.846 13.474 12.268 11.203 10.260 9.421 8.671 7.998 7.391 6.840 6.338 5.459 5.300 5.146 4.997 4.853 4.712 4.576 4.444 4.315 4.190 4.068 3.949 3.833 3.720 3.609 3.501 3.395 3.290 3.188 3.088 2.989 99999.999 19.954 18.070 16.339 14.801 13.446 12.253 11.200 10.268 9.439 8.699 8.035 7.438 6.897 6.406 5.547 5.392 5.243 5.098 4.957 4.821 4.689 4.561 4.436 4.315 4.196 4.081 3.969 3.860 3.753 3.649 3.546 3.446 3.348 3.251 3.157 ferrosilite Fe2Si2O6 P-T:All Wt.(g/mol) = 263.860 V(cc/mol) = 65.920 D(g/cc) = 4.003 Ref: H&P2011 4 2.000 11 2.000 7 -2.000 2 -4.000 1 18.425 16.240 14.289 12.590 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.425 16.240 14.289 12.590 11.109 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.426 16.241 14.290 12.591 11.110 9.811 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.428 16.243 14.292 12.593 11.112 9.813 8.661 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.430 16.246 14.295 12.596 11.116 9.817 8.664 7.628 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.434 16.251 14.300 12.601 11.121 9.823 8.670 7.634 6.689 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.441 16.258 14.308 12.609 11.129 9.831 8.679 7.643 6.699 5.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.449 16.268 14.319 12.620 11.141 9.843 8.691 7.657 6.714 5.839 5.005 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.460 16.282 14.334 12.636 11.157 9.859 8.708 7.675 6.733 5.860 5.031 4.217 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.475 16.301 14.353 12.656 11.177 9.880 8.731 7.699 6.759 5.889 5.064 4.258 3.451 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.493 16.324 14.378 12.681 11.203 9.908 8.759 7.729 6.792 5.926 5.107 4.310 3.516 2.725 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.515 16.352 14.409 12.713 11.236 9.942 8.795 7.767 6.834 5.972 5.160 4.376 3.598 2.811 2.091 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.531 16.373 14.432 12.737 11.261 9.967 8.822 7.796 6.865 6.007 5.201 4.425 3.659 2.884 2.068 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.552 16.401 14.463 12.770 11.295 10.003 8.860 7.836 6.908 6.055 5.257 4.493 3.746 2.992 2.157 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.571 16.428 14.493 12.802 11.328 10.037 8.896 7.875 6.950 6.102 5.310 4.558 3.828 3.098 2.286 5.801 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.587 16.453 14.521 12.832 11.360 10.070 8.931 7.912 6.991 6.147 5.362 4.620 3.906 3.200 2.426 3.325 4.324 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.602 16.476 14.548 12.860 11.390 10.102 8.964 7.948 7.030 6.190 5.411 4.679 3.980 3.296 2.564 2.765 3.074 3.671 4.529 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.615 16.498 14.573 12.887 11.418 10.132 8.996 7.982 7.067 6.231 5.458 4.735 4.049 3.387 2.694 2.547 2.637 2.861 3.253 3.789 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.626 16.518 14.597 12.913 11.446 10.161 9.027 8.016 7.103 6.271 5.504 4.788 4.115 3.472 2.816 2.448 2.441 2.508 2.670 2.939 3.295 3.673 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.635 16.537 14.619 12.938 11.472 10.189 9.057 8.048 7.138 6.310 5.547 4.839 4.177 3.550 2.927 2.406 2.347 2.334 2.380 2.496 2.683 2.928 3.193 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.642 16.554 14.641 12.961 11.497 10.216 9.085 8.079 7.172 6.347 5.589 4.887 4.234 3.622 3.026 2.395 2.304 2.245 2.226 2.254 2.334 2.464 2.635 2.824 3.005 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.648 16.569 14.660 12.984 11.521 10.241 9.113 8.108 7.204 6.382 5.629 4.933 4.288 3.688 3.115 2.401 2.290 2.202 2.144 2.118 2.131 2.183 2.272 2.391 2.528 2.665 2.788 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.652 16.584 14.679 13.005 11.544 10.266 9.139 8.137 7.235 6.417 5.667 4.977 4.339 3.748 3.194 2.419 2.294 2.187 2.103 2.043 2.011 2.010 2.041 2.100 2.183 2.281 2.385 2.486 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.654 16.596 14.696 13.024 11.566 10.289 9.165 8.164 7.265 6.450 5.704 5.019 4.387 3.804 3.264 2.444 2.309 2.190 2.087 2.004 1.943 1.906 1.894 1.907 1.943 1.999 2.070 2.149 2.232 2.315 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.655 16.608 14.712 13.043 11.586 10.312 9.189 8.191 7.294 6.482 5.740 5.058 4.431 3.855 3.325 2.475 2.333 2.203 2.089 1.989 1.908 1.845 1.803 1.781 1.781 1.800 1.836 1.886 1.946 2.014 2.087 99999.999 99999.999 99999.999 99999.999 99999.999 18.654 16.618 14.727 13.061 11.606 10.333 9.212 8.216 7.322 6.513 5.774 5.096 4.473 3.902 3.378 2.508 2.361 2.225 2.101 1.990 1.894 1.813 1.748 1.702 1.673 1.662 1.668 1.689 1.724 1.769 1.824 1.888 1.959 99999.999 99999.999 99999.999 18.652 16.627 14.741 13.078 11.625 10.354 9.235 8.241 7.349 6.543 5.807 5.132 4.513 3.945 3.426 2.544 2.393 2.252 2.121 2.002 1.894 1.800 1.720 1.654 1.604 1.569 1.550 1.546 1.556 1.578 1.612 1.657 1.712 1.777 99999.999 99999.999 18.648 16.635 14.754 13.093 11.643 10.374 9.256 8.264 7.375 6.571 5.839 5.167 4.551 3.986 3.469 2.581 2.427 2.283 2.147 2.021 1.905 1.801 1.708 1.629 1.562 1.509 1.470 1.444 1.432 1.433 1.446 1.471 1.507 1.554 1.613 1.683 18.643 16.642 14.766 13.108 11.659 10.392 9.277 8.287 7.400 6.599 5.869 5.201 4.587 4.025 3.510 2.619 2.463 2.316 2.176 2.046 1.924 1.812 1.710 1.619 1.540 1.472 1.417 1.374 1.344 1.326 1.320 1.326 1.343 1.372 1.412 1.463 18.523 16.649 14.830 13.206 11.781 10.534 9.438 8.469 7.605 6.828 6.125 5.484 4.897 4.359 3.865 2.992 2.834 2.681 2.533 2.389 2.250 2.116 1.986 1.861 1.740 1.623 1.511 1.403 1.300 1.202 1.109 1.020 0.937 0.859 0.786 0.719 18.296 16.565 14.814 13.229 11.833 10.608 9.532 8.583 7.740 6.985 6.305 5.689 5.127 4.613 4.141 3.307 3.155 3.008 2.865 2.726 2.591 2.460 2.332 2.208 2.086 1.968 1.852 1.740 1.630 1.523 1.418 1.315 1.216 1.118 1.023 0.930 17.984 16.409 14.732 13.192 11.827 10.627 9.573 8.644 7.821 7.087 6.428 5.834 5.294 4.802 4.352 3.558 3.414 3.274 3.139 3.007 2.879 2.754 2.633 2.515 2.399 2.286 2.176 2.068 1.963 1.859 1.757 1.657 1.559 1.463 1.368 1.274 17.602 16.193 14.596 13.106 11.775 10.602 9.571 8.662 7.859 7.144 6.505 5.931 5.412 4.940 4.510 3.755 3.619 3.487 3.358 3.234 3.113 2.996 2.881 2.770 2.661 2.555 2.452 2.350 2.251 2.154 2.059 1.965 1.872 1.782 1.692 1.604 17.164 15.929 14.417 12.978 11.684 10.540 9.532 8.645 7.861 7.165 6.545 5.990 5.490 5.037 4.626 3.907 3.778 3.653 3.532 3.414 3.300 3.190 3.082 2.977 2.876 2.776 2.680 2.585 2.492 2.402 2.313 2.226 2.140 2.056 1.972 1.890 16.678 15.622 14.199 12.816 11.561 10.446 9.464 8.597 7.833 7.156 6.554 6.017 5.534 5.100 4.706 4.022 3.899 3.780 3.666 3.555 3.447 3.343 3.242 3.144 3.048 2.956 2.865 2.777 2.691 2.606 2.524 2.443 2.363 2.285 2.208 2.133 16.151 15.281 13.949 12.623 11.409 10.326 9.369 8.525 7.780 7.121 6.537 6.016 5.551 5.133 4.756 4.104 3.988 3.875 3.767 3.662 3.560 3.462 3.367 3.275 3.186 3.099 3.014 2.931 2.851 2.773 2.696 2.621 2.547 2.475 2.404 2.334 99999.999 14.908 13.671 12.404 11.232 10.182 9.251 8.429 7.705 7.064 6.497 5.993 5.544 5.142 4.781 4.159 4.049 3.942 3.839 3.740 3.645 3.552 3.463 3.376 3.292 3.210 3.131 3.054 2.979 2.906 2.835 2.765 2.697 2.630 2.564 2.499 forsterite Mg2SiO4 P-T:All Wt.(g/mol) = 140.710 V(cc/mol) = 43.660 D(g/cc) = 3.223 Ref: H&P2011 3 2.000 10 1.000 7 -4.000 1 32.137 28.680 25.715 23.176 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.137 28.680 25.715 23.176 20.986 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.137 28.680 25.715 23.177 20.987 19.079 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.139 28.682 25.717 23.178 20.988 19.080 17.399 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.141 28.685 25.719 23.181 20.991 19.083 17.402 15.903 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.145 28.689 25.724 23.185 20.995 19.087 17.407 15.908 14.556 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.151 28.695 25.730 23.191 21.001 19.094 17.413 15.916 14.565 13.328 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.159 28.703 25.738 23.200 21.010 19.103 17.423 15.926 14.576 13.341 12.188 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.170 28.715 25.750 23.212 21.022 19.116 17.436 15.940 14.592 13.358 12.209 11.113 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.184 28.730 25.766 23.227 21.038 19.132 17.454 15.959 14.612 13.382 12.237 11.148 10.095 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.202 28.750 25.786 23.247 21.059 19.153 17.476 15.983 14.639 13.412 12.272 11.192 10.149 9.156 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.225 28.774 25.810 23.273 21.085 19.180 17.504 16.013 14.672 13.449 12.317 11.248 10.219 9.222 8.379 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.241 28.792 25.829 23.292 21.104 19.200 17.526 16.036 14.697 13.478 12.351 11.290 10.273 9.283 8.309 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.264 28.818 25.855 23.318 21.131 19.228 17.555 16.068 14.732 13.517 12.397 11.348 10.348 9.376 8.361 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.285 28.842 25.880 23.344 21.157 19.255 17.584 16.099 14.766 13.556 12.442 11.404 10.421 9.470 8.469 12.695 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.305 28.864 25.904 23.368 21.182 19.282 17.612 16.129 14.799 13.592 12.485 11.457 10.489 9.561 8.593 9.583 10.830 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.324 28.886 25.927 23.392 21.207 19.307 17.639 16.158 14.831 13.628 12.527 11.508 10.554 9.647 8.718 8.854 9.237 9.988 11.098 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.341 28.907 25.949 23.414 21.230 19.331 17.665 16.186 14.861 13.662 12.566 11.556 10.616 9.729 8.839 8.546 8.656 8.937 9.436 10.136 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.357 28.927 25.970 23.436 21.253 19.355 17.690 16.213 14.891 13.695 12.605 11.602 10.673 9.804 8.951 8.389 8.376 8.459 8.665 9.012 9.483 10.004 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.372 28.945 25.990 23.457 21.275 19.378 17.714 16.239 14.919 13.727 12.641 11.645 10.727 9.874 9.053 8.303 8.223 8.205 8.264 8.413 8.660 8.989 9.359 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.385 28.963 26.009 23.478 21.296 19.400 17.737 16.265 14.947 13.758 12.676 11.687 10.777 9.938 9.144 8.257 8.136 8.059 8.034 8.071 8.178 8.354 8.588 8.857 9.128 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.398 28.980 26.028 23.497 21.316 19.421 17.760 16.289 14.974 13.788 12.710 11.726 10.824 9.997 9.225 8.236 8.088 7.972 7.896 7.864 7.883 7.955 8.080 8.248 8.446 8.653 8.853 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.409 28.996 26.046 23.516 21.336 19.442 17.782 16.313 15.000 13.817 12.743 11.763 10.868 10.049 9.295 8.229 8.063 7.922 7.811 7.734 7.696 7.698 7.744 7.830 7.952 8.098 8.258 8.421 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.419 29.011 26.062 23.534 21.355 19.462 17.803 16.336 15.025 13.845 12.774 11.798 10.908 10.097 9.356 8.234 8.054 7.895 7.760 7.653 7.575 7.530 7.519 7.544 7.601 7.687 7.795 7.919 8.052 8.189 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.429 29.025 26.079 23.551 21.373 19.481 17.824 16.358 15.050 13.872 12.804 11.832 10.947 10.141 9.409 8.246 8.055 7.883 7.732 7.602 7.497 7.418 7.367 7.345 7.353 7.388 7.447 7.527 7.624 7.732 7.849 99999.999 99999.999 99999.999 99999.999 99999.999 32.437 29.038 26.094 23.567 21.390 19.500 17.844 16.380 15.074 13.898 12.833 11.865 10.982 10.180 9.454 8.263 8.065 7.883 7.719 7.573 7.447 7.344 7.263 7.208 7.177 7.171 7.188 7.228 7.286 7.361 7.449 7.550 7.662 99999.999 99999.999 99999.999 32.444 29.051 26.108 23.583 21.407 19.518 17.863 16.401 15.097 13.923 12.861 11.895 11.016 10.217 9.493 8.283 8.080 7.891 7.716 7.559 7.418 7.296 7.194 7.112 7.052 7.014 6.997 7.001 7.025 7.066 7.124 7.196 7.282 7.381 99999.999 99999.999 32.451 29.062 26.122 23.598 21.423 19.535 17.882 16.421 15.119 13.948 12.888 11.925 11.048 10.251 9.529 8.307 8.099 7.904 7.722 7.555 7.403 7.267 7.148 7.047 6.964 6.900 6.856 6.831 6.824 6.836 6.864 6.907 6.966 7.039 7.125 7.226 32.456 29.073 26.136 23.613 21.439 19.552 17.900 16.441 15.140 13.972 12.915 11.954 11.079 10.283 9.562 8.332 8.121 7.921 7.734 7.560 7.399 7.252 7.120 7.004 6.903 6.820 6.753 6.704 6.672 6.657 6.658 6.675 6.708 6.754 6.816 6.891 32.465 29.144 26.234 23.727 21.566 19.690 18.051 16.606 15.324 14.175 13.140 12.202 11.349 10.571 9.860 8.620 8.398 8.183 7.977 7.778 7.587 7.403 7.225 7.055 6.892 6.736 6.586 6.444 6.309 6.180 6.059 5.945 5.838 5.739 5.647 5.562 32.403 29.157 26.280 23.794 21.646 19.783 18.156 16.726 15.458 14.327 13.311 12.393 11.559 10.799 10.106 8.889 8.669 8.457 8.252 8.053 7.860 7.674 7.493 7.317 7.147 6.982 6.821 6.666 6.515 6.368 6.225 6.087 5.952 5.822 5.695 5.572 32.285 29.123 26.285 23.822 21.691 19.841 18.227 16.809 15.555 14.440 13.440 12.539 11.723 10.981 10.304 9.117 8.903 8.695 8.495 8.300 8.112 7.929 7.751 7.578 7.410 7.247 7.088 6.933 6.782 6.635 6.491 6.351 6.213 6.079 5.947 5.818 32.122 29.051 26.256 23.818 21.706 19.871 18.270 16.864 15.623 14.521 13.536 12.650 11.851 11.125 10.464 9.306 9.098 8.896 8.700 8.511 8.328 8.150 7.977 7.809 7.646 7.487 7.333 7.182 7.035 6.891 6.751 6.614 6.479 6.348 6.219 6.092 31.922 28.948 26.199 23.789 21.696 19.877 18.289 16.896 15.667 14.577 13.605 12.734 11.949 11.237 10.591 9.462 9.259 9.062 8.872 8.688 8.510 8.337 8.170 8.007 7.849 7.695 7.545 7.399 7.257 7.118 6.983 6.850 6.721 6.594 6.469 6.347 31.691 28.819 26.118 23.738 21.666 19.863 18.288 16.908 15.691 14.613 13.653 12.795 12.022 11.325 10.692 9.589 9.391 9.200 9.015 8.836 8.663 8.495 8.332 8.174 8.021 7.872 7.727 7.586 7.449 7.315 7.184 7.057 6.932 6.810 6.690 6.572 31.435 28.668 26.018 23.668 21.618 19.831 18.271 16.903 15.698 14.632 13.683 12.836 12.076 11.391 10.770 9.692 9.499 9.313 9.132 8.958 8.790 8.626 8.468 8.315 8.166 8.022 7.882 7.745 7.612 7.483 7.357 7.234 7.114 6.996 6.881 6.768 99999.999 28.499 25.900 23.582 21.554 19.786 18.240 16.885 15.691 14.636 13.698 12.862 12.113 11.439 10.830 9.775 9.586 9.404 9.228 9.058 8.894 8.735 8.582 8.433 8.288 8.148 8.012 7.880 7.751 7.626 7.504 7.385 7.269 7.155 7.044 6.936 gedrite Mg5Al4Si6O24H2 P-T:All Wt.(g/mol) = 784.000 V(cc/mol) = 255.480 D(g/cc) = 3.069 Ref: H&P2011 4 5.000 10 4.000 8 6.000 7 -22.000 1 95.405 81.652 69.673 59.321 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.405 81.652 69.673 59.321 50.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.410 81.657 69.678 59.326 50.323 42.410 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.419 81.667 69.688 59.336 50.334 42.421 35.377 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.435 81.684 69.706 59.354 50.351 42.439 35.396 29.040 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.459 81.711 69.733 59.381 50.379 42.468 35.426 29.072 23.261 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.495 81.751 69.774 59.422 50.421 42.511 35.471 29.120 23.313 17.909 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.547 81.807 69.832 59.481 50.480 42.572 35.535 29.189 23.388 17.992 12.855 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.617 81.884 69.911 59.561 50.561 42.655 35.622 29.282 23.489 18.106 12.988 7.997 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.708 81.986 70.015 59.666 50.669 42.765 35.737 29.405 23.623 18.256 13.164 8.212 3.333 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.824 82.116 70.149 59.801 50.806 42.907 35.886 29.564 23.795 18.449 13.390 8.488 3.661 -0.924 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.968 82.278 70.316 59.972 50.980 43.086 36.073 29.763 24.012 18.691 13.673 8.836 4.088 -0.562 -4.108 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 96.075 82.400 70.443 60.101 51.111 43.221 36.215 29.915 24.176 18.874 13.887 9.099 4.417 -0.209 -4.712 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 96.221 82.570 70.620 60.281 51.295 43.411 36.414 30.126 24.406 19.130 14.184 9.464 4.880 0.342 -4.504 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 96.359 82.732 70.790 60.455 51.473 43.595 36.606 30.332 24.629 19.377 14.471 9.815 5.326 0.907 -3.899 28.743 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 96.489 82.888 70.954 60.623 51.645 43.773 36.793 30.531 24.844 19.616 14.747 10.150 5.753 1.461 -3.169 6.761 16.179 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 96.612 83.037 71.112 60.786 51.812 43.945 36.974 30.724 25.053 19.848 15.013 10.471 6.159 1.993 -2.415 1.614 4.916 10.840 19.479 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 96.727 83.180 71.265 60.944 51.974 44.113 37.150 30.911 25.256 20.071 15.269 10.777 6.542 2.495 -1.685 -0.593 0.792 3.369 7.505 13.156 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 96.835 83.317 71.412 61.096 52.131 44.276 37.321 31.093 25.453 20.288 15.515 11.069 6.903 2.963 -1.001 -1.750 -1.228 -0.047 1.995 5.047 9.031 13.489 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 96.935 83.447 71.554 61.243 52.283 44.433 37.487 31.270 25.643 20.498 15.752 11.346 7.241 3.396 -0.376 -2.407 -2.357 -1.891 -0.895 0.739 3.066 6.012 9.323 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 97.029 83.573 71.690 61.385 52.430 44.586 37.648 31.441 25.829 20.702 15.981 11.611 7.558 3.794 0.186 -2.783 -3.024 -2.976 -2.573 -1.743 -0.429 1.383 3.633 6.167 8.776 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 97.117 83.692 71.822 61.523 52.573 44.735 37.804 31.608 26.009 20.899 16.201 11.862 7.855 4.157 0.683 -2.989 -3.422 -3.642 -3.606 -3.268 -2.584 -1.526 -0.094 1.664 3.652 5.745 7.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 97.198 83.806 71.948 61.656 52.711 44.879 37.956 31.770 26.184 21.090 16.413 12.102 8.132 4.486 1.117 -3.082 -3.649 -4.052 -4.260 -4.244 -3.971 -3.414 -2.561 -1.418 -0.021 1.569 3.275 5.024 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 97.273 83.915 72.070 61.785 52.845 45.019 38.103 31.927 26.354 21.276 16.618 12.331 8.391 4.786 1.492 -3.098 -3.763 -4.295 -4.675 -4.879 -4.886 -4.675 -4.229 -3.542 -2.623 -1.498 -0.207 1.203 2.687 4.210 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 97.342 84.019 72.187 61.909 52.975 45.155 38.246 32.080 26.519 21.456 16.815 12.550 8.633 5.058 1.816 -3.061 -3.799 -4.426 -4.929 -5.292 -5.498 -5.531 -5.377 -5.025 -4.475 -3.733 -2.817 -1.755 -0.575 0.695 2.032 99999.999 99999.999 99999.999 99999.999 99999.999 97.405 84.118 72.300 62.030 53.101 45.287 38.386 32.229 26.680 21.631 17.007 12.759 8.862 5.307 2.095 -2.985 -3.778 -4.478 -5.073 -5.552 -5.904 -6.116 -6.175 -6.072 -5.801 -5.363 -4.762 -4.011 -3.128 -2.131 -1.037 0.141 1.395 99999.999 99999.999 99999.999 97.463 84.212 72.409 62.146 53.223 45.414 38.521 32.374 26.836 21.801 17.192 12.960 9.078 5.537 2.338 -2.880 -3.717 -4.472 -5.137 -5.705 -6.166 -6.511 -6.730 -6.815 -6.758 -6.556 -6.210 -5.723 -5.105 -4.365 -3.515 -2.567 -1.528 -0.401 99999.999 99999.999 97.515 84.301 72.513 62.258 53.341 45.539 38.652 32.514 26.988 21.966 17.372 13.154 9.285 5.752 2.556 -2.754 -3.625 -4.423 -5.143 -5.779 -6.324 -6.771 -7.112 -7.340 -7.448 -7.432 -7.290 -7.020 -6.627 -6.116 -5.493 -4.765 -3.940 -3.021 -2.012 -0.911 97.561 84.386 72.613 62.366 53.455 45.659 38.780 32.651 27.135 22.127 17.546 13.342 9.484 5.958 2.760 -2.613 -3.510 -4.343 -5.106 -5.795 -6.406 -6.932 -7.367 -7.706 -7.944 -8.074 -8.094 -8.001 -7.797 -7.481 -7.059 -6.533 -5.908 -5.189 -4.377 -3.474 97.759 85.009 73.411 63.261 54.419 46.686 39.877 33.831 28.415 23.522 19.067 14.990 11.247 7.808 4.651 -0.888 -1.880 -2.835 -3.754 -4.638 -5.486 -6.300 -7.078 -7.822 -8.530 -9.202 -9.838 -10.437 -10.998 -11.520 -12.003 -12.445 -12.846 -13.206 -13.523 -13.797 97.545 85.285 73.898 63.866 55.105 47.441 40.700 34.729 29.398 24.603 20.255 16.290 12.657 9.320 6.249 0.810 -0.177 -1.133 -2.060 -2.960 -3.832 -4.679 -5.501 -6.299 -7.074 -7.827 -8.558 -9.269 -9.959 -10.630 -11.281 -11.913 -12.527 -13.123 -13.702 -14.262 97.006 85.285 74.136 64.239 55.572 47.982 41.310 35.408 30.154 25.443 21.189 17.323 13.791 10.551 7.572 2.289 1.327 0.394 -0.512 -1.393 -2.249 -3.082 -3.893 -4.684 -5.455 -6.207 -6.942 -7.661 -8.364 -9.052 -9.726 -10.388 -11.037 -11.675 -12.302 -12.919 96.204 85.060 74.172 64.425 55.859 48.350 41.747 35.914 30.730 26.095 21.923 18.144 14.703 11.555 8.664 3.544 2.613 1.709 0.830 -0.023 -0.853 -1.661 -2.448 -3.215 -3.964 -4.695 -5.411 -6.111 -6.796 -7.469 -8.129 -8.778 -9.417 -10.046 -10.666 -11.278 95.187 84.649 74.039 64.454 55.998 48.574 42.044 36.277 31.160 26.594 22.496 18.796 15.436 12.372 9.564 4.602 3.701 2.826 1.977 1.153 0.351 -0.429 -1.189 -1.929 -2.651 -3.356 -4.046 -4.720 -5.381 -6.029 -6.665 -7.290 -7.905 -8.511 -9.108 -9.698 93.992 84.085 73.764 64.350 56.013 48.677 42.221 36.522 31.469 26.968 22.937 19.308 16.022 13.034 10.302 5.490 4.618 3.772 2.951 2.154 1.380 0.628 -0.105 -0.818 -1.513 -2.192 -2.855 -3.503 -4.137 -4.759 -5.369 -5.967 -6.556 -7.136 -7.707 -8.270 92.645 83.390 73.370 64.134 55.920 48.677 42.298 36.667 31.677 27.237 23.268 19.704 16.486 13.566 10.906 6.232 5.387 4.568 3.774 3.004 2.256 1.530 0.823 0.136 -0.534 -1.187 -1.825 -2.448 -3.057 -3.653 -4.237 -4.811 -5.374 -5.928 -6.474 -7.011 99999.999 82.584 72.872 63.821 55.734 48.589 42.288 36.725 31.797 27.417 23.507 20.002 16.846 13.990 11.394 6.850 6.030 5.236 4.467 3.722 2.998 2.296 1.614 0.950 0.305 -0.325 -0.939 -1.538 -2.123 -2.696 -3.257 -3.807 -4.347 -4.877 -5.399 -5.913 gehlenite Ca2Al2SiO7 P-T:All Wt.(g/mol) = 274.200 V(cc/mol) = 90.240 D(g/cc) = 3.039 Ref: H&P2011 5 2.000 9 2.000 8 1.000 7 3.000 2 -10.000 1 60.849 53.349 46.916 41.371 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.849 53.350 46.916 41.371 36.540 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.851 53.352 46.919 41.373 36.542 32.283 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.856 53.357 46.923 41.378 36.546 32.287 28.486 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.864 53.365 46.931 41.385 36.554 32.295 28.494 25.058 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.877 53.378 46.944 41.397 36.566 32.307 28.506 25.072 21.930 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.897 53.397 46.962 41.416 36.584 32.325 28.525 25.092 21.952 19.038 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.925 53.424 46.989 41.441 36.610 32.351 28.552 25.120 21.982 19.072 16.320 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.963 53.462 47.025 41.477 36.645 32.387 28.588 25.158 22.024 19.118 16.374 13.728 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.013 53.511 47.073 41.524 36.692 32.434 28.637 25.209 22.079 19.179 16.445 13.815 11.257 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.078 53.575 47.136 41.585 36.752 32.495 28.700 25.275 22.150 19.258 16.536 13.926 11.388 8.991 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.160 53.656 47.215 41.662 36.829 32.572 28.779 25.359 22.239 19.357 16.652 14.067 11.561 9.134 7.209 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.222 53.718 47.275 41.721 36.887 32.631 28.840 25.423 22.307 19.432 16.739 14.174 11.694 9.275 6.946 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.309 53.805 47.360 41.805 36.970 32.714 28.925 25.512 22.403 19.537 16.860 14.323 11.882 9.498 7.021 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.394 53.889 47.443 41.886 37.050 32.796 29.009 25.600 22.497 19.640 16.978 14.466 12.063 9.727 7.264 20.110 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.476 53.972 47.524 41.966 37.130 32.875 29.091 25.685 22.588 19.740 17.092 14.603 12.238 9.953 7.561 10.921 14.709 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.556 54.053 47.603 42.044 37.207 32.953 29.171 25.769 22.677 19.837 17.202 14.735 12.403 10.170 7.869 8.750 9.985 12.317 15.776 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.634 54.132 47.681 42.120 37.283 33.030 29.249 25.850 22.763 19.931 17.309 14.861 12.561 10.375 8.168 7.811 8.242 9.176 10.764 12.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.709 54.209 47.757 42.195 37.357 33.104 29.325 25.930 22.848 20.023 17.411 14.982 12.709 10.567 8.448 7.313 7.382 7.730 8.443 9.580 11.107 12.830 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.782 54.284 47.832 42.269 37.430 33.178 29.400 26.008 22.931 20.112 17.511 15.097 12.848 10.745 8.704 7.027 6.896 6.944 7.218 7.762 8.598 9.695 10.944 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.853 54.358 47.904 42.340 37.501 33.250 29.474 26.085 23.012 20.199 17.607 15.207 12.979 10.908 8.935 6.859 6.606 6.477 6.501 6.708 7.120 7.744 8.552 9.480 10.439 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.923 54.430 47.976 42.411 37.571 33.320 29.546 26.160 23.091 20.284 17.701 15.312 13.102 11.057 9.139 6.765 6.429 6.187 6.056 6.055 6.203 6.511 6.978 7.582 8.285 9.032 9.773 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.990 54.500 48.046 42.480 37.640 33.389 29.616 26.233 23.168 20.367 17.791 15.413 13.217 11.193 9.317 6.718 6.325 6.005 5.771 5.635 5.609 5.706 5.930 6.278 6.734 7.272 7.860 8.467 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 62.055 54.569 48.114 42.548 37.707 33.457 29.686 26.305 23.244 20.448 17.879 15.510 13.325 11.317 9.471 6.704 6.269 5.894 5.587 5.357 5.213 5.165 5.217 5.374 5.630 5.974 6.390 6.857 7.356 7.872 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 62.119 54.636 48.181 42.614 37.774 33.523 29.753 26.375 23.318 20.527 17.964 15.602 13.427 11.429 9.603 6.713 6.247 5.831 5.471 5.174 4.946 4.794 4.724 4.739 4.840 5.024 5.283 5.605 5.978 6.389 6.831 99999.999 99999.999 99999.999 99999.999 99999.999 62.180 54.701 48.247 42.679 37.838 33.589 29.820 26.444 23.390 20.605 18.047 15.692 13.523 11.533 9.718 6.739 6.249 5.802 5.403 5.056 4.766 4.538 4.378 4.288 4.271 4.328 4.454 4.646 4.895 5.193 5.534 5.910 6.320 99999.999 99999.999 99999.999 62.240 54.766 48.312 42.743 37.902 33.653 29.885 26.512 23.462 20.680 18.128 15.778 13.614 11.628 9.818 6.778 6.269 5.798 5.369 4.984 4.647 4.363 4.134 3.965 3.858 3.814 3.834 3.915 4.053 4.244 4.482 4.763 5.084 5.442 99999.999 99999.999 62.299 54.828 48.375 42.806 37.965 33.716 29.949 26.578 23.531 20.754 18.207 15.862 13.702 11.718 9.908 6.826 6.302 5.813 5.360 4.945 4.573 4.245 3.964 3.734 3.557 3.435 3.369 3.358 3.401 3.496 3.640 3.829 4.061 4.333 4.644 4.994 62.356 54.890 48.437 42.868 38.026 33.777 30.012 26.643 23.600 20.827 18.284 15.943 13.787 11.805 9.992 6.881 6.345 5.841 5.369 4.932 4.531 4.169 3.848 3.571 3.339 3.155 3.020 2.934 2.898 2.911 2.970 3.075 3.222 3.411 3.640 3.908 62.841 55.437 48.997 43.428 38.586 34.341 30.586 27.235 24.218 21.480 18.978 16.678 14.558 12.601 10.794 7.589 7.008 6.447 5.904 5.379 4.873 4.385 3.914 3.461 3.026 2.608 2.209 1.828 1.465 1.121 0.795 0.489 0.203 -0.064 -0.312 -0.539 63.202 55.882 49.465 43.903 39.063 34.822 31.075 27.738 24.741 22.030 19.560 17.295 15.210 13.284 11.503 8.318 7.736 7.169 6.619 6.084 5.563 5.056 4.563 4.083 3.615 3.159 2.715 2.283 1.861 1.450 1.050 0.660 0.279 -0.091 -0.452 -0.804 63.465 56.245 49.860 44.310 39.476 35.239 31.499 28.173 25.192 22.502 20.057 17.821 15.767 13.872 12.119 8.980 8.404 7.844 7.299 6.768 6.250 5.745 5.253 4.772 4.302 3.843 3.394 2.955 2.524 2.102 1.689 1.283 0.884 0.492 0.107 -0.272 63.649 56.541 50.195 44.661 39.836 35.605 31.871 28.554 25.586 22.912 20.488 18.278 16.250 14.383 12.656 9.567 9.000 8.449 7.912 7.389 6.879 6.381 5.896 5.421 4.958 4.504 4.060 3.625 3.199 2.780 2.369 1.965 1.568 1.177 0.792 0.412 63.769 56.785 50.482 44.968 40.152 35.929 32.202 28.892 25.935 23.275 20.868 18.677 16.673 14.829 13.128 10.087 9.529 8.987 8.459 7.944 7.443 6.954 6.477 6.010 5.555 5.109 4.673 4.246 3.827 3.416 3.013 2.616 2.226 1.842 1.464 1.091 63.837 56.983 50.729 45.236 40.433 36.217 32.497 29.195 26.247 23.598 21.205 19.032 17.046 15.224 13.545 10.548 9.999 9.465 8.946 8.440 7.947 7.467 6.998 6.540 6.093 5.656 5.228 4.809 4.398 3.996 3.600 3.212 2.831 2.455 2.085 1.721 63.861 57.146 50.942 45.473 40.683 36.476 32.763 29.469 26.528 23.889 21.508 19.349 17.380 15.576 13.916 10.959 10.419 9.893 9.381 8.883 8.398 7.926 7.465 7.015 6.576 6.146 5.726 5.315 4.913 4.518 4.131 3.751 3.377 3.010 2.649 2.293 99999.999 57.277 51.126 45.682 40.907 36.710 33.005 29.717 26.784 24.153 21.783 19.635 17.680 15.892 14.249 11.328 10.794 10.276 9.772 9.281 8.803 8.338 7.884 7.442 7.010 6.587 6.175 5.771 5.376 4.988 4.609 4.236 3.870 3.510 3.156 2.808 geikielite MgTiO3 P-T:All Wt.(g/mol) = 120.182 V(cc/mol) = 30.860 D(g/cc) = 3.894 Ref: H&P2011 4 1.000 10 1.000 34 -1.000 2 -2.000 1 10.617 8.591 6.881 5.425 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.617 8.591 6.881 5.425 4.171 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.618 8.592 6.882 5.425 4.171 3.078 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.620 8.593 6.883 5.426 4.172 3.079 2.114 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.622 8.595 6.885 5.428 4.174 3.081 2.116 1.255 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.627 8.599 6.888 5.431 4.177 3.084 2.119 1.258 0.480 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.633 8.604 6.892 5.436 4.181 3.088 2.123 1.262 0.484 -0.228 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.642 8.612 6.899 5.442 4.187 3.094 2.129 1.269 0.491 -0.221 -0.885 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.655 8.622 6.908 5.450 4.195 3.102 2.138 1.278 0.501 -0.210 -0.872 -1.502 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.672 8.636 6.921 5.462 4.207 3.113 2.149 1.289 0.514 -0.196 -0.856 -1.483 -2.085 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.694 8.654 6.937 5.477 4.221 3.128 2.164 1.305 0.530 -0.178 -0.835 -1.457 -2.055 -2.622 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.722 8.677 6.958 5.496 4.240 3.146 2.183 1.325 0.551 -0.155 -0.809 -1.425 -2.016 -2.585 -3.069 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.744 8.695 6.974 5.511 4.254 3.160 2.197 1.340 0.567 -0.137 -0.788 -1.401 -1.985 -2.552 -3.104 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.774 8.721 6.996 5.533 4.275 3.181 2.218 1.361 0.590 -0.112 -0.760 -1.366 -1.943 -2.501 -3.074 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.805 8.746 7.019 5.554 4.295 3.201 2.238 1.382 0.612 -0.088 -0.732 -1.333 -1.901 -2.449 -3.016 -0.971 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.835 8.771 7.041 5.575 4.315 3.221 2.259 1.403 0.635 -0.064 -0.705 -1.301 -1.862 -2.398 -2.949 -2.562 -1.944 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.864 8.796 7.064 5.596 4.335 3.241 2.279 1.424 0.656 -0.040 -0.679 -1.270 -1.823 -2.349 -2.881 -2.929 -2.755 -2.390 -1.840 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.894 8.820 7.086 5.616 4.355 3.260 2.299 1.445 0.678 -0.017 -0.653 -1.240 -1.787 -2.302 -2.815 -3.081 -3.046 -2.923 -2.688 -2.348 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.923 8.844 7.108 5.637 4.375 3.280 2.318 1.465 0.699 0.006 -0.628 -1.211 -1.752 -2.258 -2.753 -3.156 -3.184 -3.162 -3.077 -2.919 -2.697 -2.447 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.951 8.869 7.130 5.657 4.395 3.299 2.338 1.485 0.720 0.028 -0.603 -1.183 -1.719 -2.217 -2.696 -3.193 -3.256 -3.286 -3.277 -3.220 -3.113 -2.964 -2.792 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.980 8.893 7.151 5.678 4.414 3.318 2.357 1.505 0.741 0.050 -0.579 -1.156 -1.688 -2.179 -2.644 -3.211 -3.294 -3.355 -3.388 -3.389 -3.354 -3.283 -3.182 -3.062 -2.941 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.008 8.916 7.173 5.698 4.434 3.338 2.376 1.524 0.762 0.072 -0.555 -1.130 -1.658 -2.144 -2.597 -3.216 -3.313 -3.393 -3.452 -3.489 -3.499 -3.481 -3.436 -3.369 -3.286 -3.197 -3.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.036 8.940 7.194 5.718 4.453 3.357 2.395 1.544 0.782 0.094 -0.532 -1.105 -1.629 -2.111 -2.556 -3.213 -3.319 -3.412 -3.489 -3.549 -3.588 -3.606 -3.602 -3.576 -3.533 -3.476 -3.412 -3.346 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.063 8.963 7.215 5.738 4.472 3.375 2.414 1.563 0.802 0.115 -0.510 -1.080 -1.602 -2.080 -2.518 -3.204 -3.318 -3.420 -3.509 -3.584 -3.644 -3.686 -3.711 -3.717 -3.706 -3.680 -3.642 -3.597 -3.546 -3.493 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.090 8.987 7.236 5.757 4.491 3.394 2.433 1.582 0.822 0.136 -0.488 -1.056 -1.576 -2.051 -2.485 -3.192 -3.310 -3.419 -3.517 -3.603 -3.677 -3.737 -3.782 -3.812 -3.826 -3.827 -3.814 -3.791 -3.759 -3.721 -3.678 99999.999 99999.999 99999.999 99999.999 99999.999 11.117 9.010 7.257 5.777 4.510 3.413 2.452 1.601 0.841 0.156 -0.466 -1.033 -1.551 -2.025 -2.456 -3.177 -3.299 -3.413 -3.517 -3.612 -3.696 -3.768 -3.828 -3.875 -3.910 -3.931 -3.940 -3.937 -3.925 -3.904 -3.876 -3.842 -3.802 99999.999 99999.999 99999.999 11.144 9.033 7.278 5.797 4.529 3.431 2.470 1.620 0.861 0.176 -0.444 -1.010 -1.527 -1.999 -2.429 -3.160 -3.285 -3.402 -3.512 -3.612 -3.704 -3.786 -3.857 -3.917 -3.967 -4.004 -4.031 -4.046 -4.052 -4.048 -4.036 -4.016 -3.989 -3.956 99999.999 99999.999 11.170 9.055 7.299 5.816 4.548 3.449 2.488 1.639 0.880 0.197 -0.423 -0.988 -1.504 -1.975 -2.405 -3.141 -3.268 -3.389 -3.502 -3.607 -3.705 -3.794 -3.874 -3.944 -4.005 -4.055 -4.096 -4.127 -4.147 -4.159 -4.162 -4.156 -4.143 -4.123 -4.096 -4.061 11.196 9.078 7.319 5.835 4.566 3.468 2.507 1.657 0.899 0.216 -0.402 -0.966 -1.481 -1.952 -2.381 -3.121 -3.250 -3.373 -3.489 -3.598 -3.700 -3.794 -3.881 -3.959 -4.029 -4.090 -4.142 -4.185 -4.218 -4.243 -4.260 -4.268 -4.268 -4.261 -4.246 -4.224 11.445 9.295 7.519 6.023 4.747 3.644 2.682 1.834 1.081 0.405 -0.206 -0.761 -1.267 -1.730 -2.155 -2.902 -3.037 -3.168 -3.294 -3.415 -3.533 -3.646 -3.756 -3.862 -3.963 -4.061 -4.155 -4.246 -4.332 -4.415 -4.493 -4.568 -4.639 -4.705 -4.768 -4.827 11.674 9.500 7.709 6.203 4.919 3.813 2.849 2.001 1.249 0.578 -0.027 -0.575 -1.074 -1.530 -1.948 -2.687 -2.820 -2.950 -3.076 -3.198 -3.317 -3.432 -3.544 -3.652 -3.758 -3.861 -3.960 -4.058 -4.152 -4.244 -4.334 -4.421 -4.506 -4.589 -4.669 -4.747 11.887 9.694 7.890 6.375 5.085 3.974 3.008 2.159 1.409 0.739 0.139 -0.404 -0.897 -1.347 -1.759 -2.486 -2.618 -2.746 -2.870 -2.991 -3.108 -3.221 -3.332 -3.440 -3.544 -3.646 -3.746 -3.843 -3.938 -4.031 -4.121 -4.210 -4.296 -4.381 -4.464 -4.546 12.087 9.880 8.065 6.542 5.246 4.130 3.161 2.311 1.560 0.892 0.294 -0.245 -0.734 -1.179 -1.585 -2.302 -2.432 -2.558 -2.680 -2.798 -2.913 -3.025 -3.134 -3.239 -3.342 -3.443 -3.540 -3.636 -3.729 -3.820 -3.909 -3.997 -4.082 -4.166 -4.248 -4.329 12.277 10.058 8.234 6.703 5.401 4.281 3.309 2.457 1.706 1.038 0.442 -0.095 -0.580 -1.021 -1.423 -2.131 -2.259 -2.383 -2.503 -2.620 -2.733 -2.843 -2.949 -3.053 -3.154 -3.253 -3.349 -3.442 -3.534 -3.623 -3.710 -3.795 -3.879 -3.961 -4.041 -4.120 12.458 10.231 8.398 6.860 5.552 4.428 3.452 2.598 1.846 1.178 0.583 0.048 -0.435 -0.873 -1.272 -1.971 -2.098 -2.220 -2.339 -2.454 -2.565 -2.673 -2.778 -2.880 -2.980 -3.076 -3.171 -3.262 -3.352 -3.439 -3.525 -3.608 -3.690 -3.770 -3.848 -3.925 12.631 10.398 8.557 7.013 5.700 4.571 3.592 2.736 1.982 1.314 0.718 0.184 -0.297 -0.732 -1.129 -1.822 -1.947 -2.068 -2.185 -2.298 -2.408 -2.515 -2.619 -2.719 -2.817 -2.912 -3.005 -3.095 -3.183 -3.269 -3.352 -3.434 -3.514 -3.592 -3.669 -3.744 99999.999 10.560 8.713 7.163 5.845 4.712 3.729 2.870 2.114 1.445 0.849 0.315 -0.165 -0.599 -0.993 -1.681 -1.805 -1.924 -2.040 -2.153 -2.261 -2.367 -2.469 -2.568 -2.665 -2.759 -2.850 -2.939 -3.025 -3.110 -3.192 -3.272 -3.351 -3.428 -3.503 -3.576 gibbsite Al(OH)3 P-T:All Wt.(g/mol) = 78.000 V(cc/mol) = 32.000 D(g/cc) = 2.438 Ref: TU14 3 1.000 8 3.000 2 -3.000 1 9.410 7.728 6.308 5.100 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.410 7.728 6.308 5.100 4.060 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.411 7.729 6.309 5.101 4.061 3.152 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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1.877 1.233 0.644 0.102 -0.398 -0.858 -1.276 -1.658 -2.039 -2.071 -2.077 -2.050 -1.987 -1.881 -1.727 -1.523 -1.269 -0.971 -0.638 -0.283 0.083 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.662 7.982 6.558 5.346 4.305 3.400 2.603 1.892 1.250 0.663 0.123 -0.375 -0.831 -1.245 -1.618 -2.066 -2.116 -2.144 -2.148 -2.123 -2.065 -1.971 -1.837 -1.663 -1.449 -1.200 -0.921 -0.620 -0.306 0.016 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.676 7.997 6.572 5.360 4.319 3.414 2.618 1.907 1.266 0.680 0.142 -0.353 -0.807 -1.218 -1.585 -2.084 -2.147 -2.192 -2.217 -2.220 -2.197 -2.145 -2.062 -1.946 -1.797 -1.615 -1.404 -1.167 -0.910 -0.637 -0.353 99999.999 99999.999 99999.999 99999.999 99999.999 9.689 8.010 6.585 5.373 4.332 3.428 2.632 1.922 1.282 0.698 0.161 -0.332 -0.785 -1.194 -1.559 -2.094 -2.167 -2.226 -2.267 -2.291 -2.293 -2.273 -2.227 -2.155 -2.055 -1.926 -1.771 -1.590 -1.386 -1.164 -0.925 -0.673 -0.409 99999.999 99999.999 99999.999 9.701 8.024 6.599 5.387 4.346 3.441 2.646 1.937 1.298 0.715 0.180 -0.313 -0.764 -1.173 -1.537 -2.098 -2.180 -2.249 -2.303 -2.342 -2.364 -2.367 -2.350 -2.311 -2.248 -2.161 -2.050 -1.916 -1.760 -1.584 -1.390 -1.180 -0.956 -0.718 99999.999 99999.999 9.714 8.037 6.612 5.400 4.359 3.454 2.659 1.951 1.313 0.731 0.198 -0.293 -0.744 -1.153 -1.518 -2.099 -2.187 -2.263 -2.328 -2.380 -2.417 -2.438 -2.443 -2.428 -2.395 -2.341 -2.266 -2.171 -2.055 -1.919 -1.766 -1.596 -1.410 -1.210 -0.996 -0.768 9.726 8.050 6.625 5.413 4.372 3.467 2.673 1.965 1.328 0.748 0.215 -0.275 -0.724 -1.133 -1.501 -2.095 -2.189 -2.272 -2.345 -2.407 -2.456 -2.491 -2.513 -2.518 -2.508 -2.480 -2.434 -2.369 -2.287 -2.186 -2.069 -1.935 -1.785 -1.620 -1.441 -1.249 9.831 8.167 6.743 5.530 4.489 3.585 2.793 2.091 1.462 0.892 0.372 -0.107 -0.548 -0.955 -1.328 -1.979 -2.095 -2.206 -2.312 -2.413 -2.510 -2.602 -2.689 -2.771 -2.848 -2.920 -2.987 -3.048 -3.104 -3.155 -3.199 -3.238 -3.270 -3.297 -3.317 -3.331 9.911 8.264 6.844 5.631 4.589 3.686 2.896 2.198 1.574 1.012 0.501 0.032 -0.400 -0.799 -1.167 -1.824 -1.943 -2.059 -2.171 -2.280 -2.386 -2.489 -2.589 -2.686 -2.780 -2.871 -2.960 -3.046 -3.130 -3.211 -3.290 -3.366 -3.441 -3.513 -3.582 -3.650 9.973 8.346 6.931 5.719 4.677 3.774 2.985 2.290 1.671 1.114 0.610 0.150 -0.274 -0.664 -1.026 -1.675 -1.793 -1.909 -2.022 -2.132 -2.239 -2.343 -2.445 -2.545 -2.643 -2.738 -2.832 -2.924 -3.014 -3.103 -3.190 -3.276 -3.361 -3.444 -3.527 -3.608 10.021 8.416 7.007 5.797 4.755 3.853 3.065 2.371 1.755 1.203 0.705 0.251 -0.165 -0.548 -0.903 -1.540 -1.657 -1.771 -1.882 -1.990 -2.096 -2.200 -2.301 -2.401 -2.498 -2.593 -2.687 -2.779 -2.870 -2.960 -3.048 -3.136 -3.222 -3.308 -3.393 -3.477 10.057 8.476 7.075 5.867 4.826 3.924 3.136 2.443 1.829 1.281 0.787 0.339 -0.070 -0.447 -0.795 -1.419 -1.534 -1.646 -1.755 -1.862 -1.966 -2.068 -2.167 -2.265 -2.361 -2.455 -2.547 -2.638 -2.727 -2.816 -2.903 -2.990 -3.075 -3.160 -3.244 -3.328 10.084 8.530 7.136 5.931 4.890 3.989 3.201 2.510 1.897 1.351 0.861 0.417 0.013 -0.358 -0.700 -1.312 -1.425 -1.534 -1.641 -1.746 -1.848 -1.948 -2.045 -2.141 -2.235 -2.327 -2.417 -2.506 -2.594 -2.681 -2.766 -2.851 -2.934 -3.017 -3.100 -3.181 10.105 8.578 7.192 5.989 4.950 4.048 3.262 2.570 1.959 1.415 0.927 0.487 0.087 -0.278 -0.615 -1.217 -1.327 -1.435 -1.540 -1.642 -1.742 -1.840 -1.935 -2.029 -2.121 -2.211 -2.299 -2.387 -2.472 -2.557 -2.640 -2.723 -2.805 -2.886 -2.966 -3.045 99999.999 8.622 7.244 6.044 5.006 4.104 3.318 2.627 2.017 1.474 0.988 0.551 0.155 -0.207 -0.539 -1.131 -1.240 -1.345 -1.448 -1.549 -1.647 -1.743 -1.836 -1.928 -2.018 -2.106 -2.193 -2.278 -2.362 -2.445 -2.527 -2.607 -2.687 -2.766 -2.844 -2.922 glaucophane Na2Mg3Al2Si8O24H2 P-T:All Wt.(g/mol) = 783.560 V(cc/mol) = 259.800 D(g/cc) = 3.016 Ref: H&P2011 6 2.000 13 3.000 10 2.000 8 8.000 7 -8.000 2 -14.000 1 41.603 36.103 31.065 26.661 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.603 36.103 31.065 26.661 22.836 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.606 36.106 31.069 26.665 22.840 19.499 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.611 36.113 31.076 26.671 22.847 19.506 16.553 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.619 36.123 31.087 26.683 22.859 19.519 16.566 13.915 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.633 36.140 31.105 26.701 22.878 19.538 16.587 13.937 11.517 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.652 36.164 31.131 26.729 22.906 19.568 16.618 13.971 11.554 9.294 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.680 36.199 31.168 26.768 22.946 19.610 16.662 14.018 11.605 9.352 7.174 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.717 36.246 31.219 26.820 23.001 19.667 16.722 14.082 11.676 9.431 7.266 5.100 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.764 36.307 31.285 26.890 23.073 19.741 16.801 14.167 11.768 9.534 7.388 5.248 3.062 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.822 36.384 31.369 26.978 23.164 19.837 16.902 14.276 11.887 9.667 7.543 5.437 3.292 1.161 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.891 36.478 31.473 27.087 23.278 19.956 17.028 14.412 12.035 9.833 7.737 5.675 3.586 1.450 -0.303 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.940 36.547 31.550 27.168 23.363 20.046 17.123 14.514 12.147 9.958 7.882 5.853 3.811 1.705 -0.504 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.003 36.641 31.656 27.280 23.481 20.170 17.255 14.656 12.302 10.132 8.084 6.100 4.123 2.089 -0.250 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.058 36.727 31.755 27.387 23.593 20.288 17.382 14.792 12.451 10.298 8.278 6.335 4.422 2.471 0.195 17.731 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.106 36.807 31.848 27.488 23.700 20.402 17.503 14.923 12.595 10.459 8.463 6.560 4.706 2.841 0.693 6.523 11.431 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.145 36.880 31.936 27.583 23.802 20.510 17.619 15.049 12.732 10.612 8.640 6.774 4.976 3.193 1.192 3.975 5.754 8.856 13.276 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.178 36.948 32.018 27.674 23.899 20.614 17.730 15.170 12.865 10.760 8.810 6.977 5.229 3.525 1.670 2.939 3.740 5.140 7.319 10.227 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.203 37.009 32.094 27.759 23.991 20.713 17.837 15.286 12.992 10.902 8.973 7.170 5.468 3.833 2.115 2.435 2.800 3.494 4.616 6.235 8.299 10.552 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.222 37.065 32.166 27.840 24.079 20.807 17.939 15.397 13.115 11.039 9.129 7.353 5.691 4.118 2.521 2.183 2.312 2.647 3.242 4.152 5.399 6.938 8.628 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.234 37.115 32.232 27.916 24.162 20.897 18.037 15.504 13.232 11.170 9.278 7.527 5.901 4.380 2.887 2.069 2.055 2.181 2.481 2.989 3.734 4.718 5.906 7.215 8.534 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.240 37.159 32.293 27.987 24.241 20.983 18.130 15.606 13.346 11.296 9.420 7.692 6.096 4.620 3.212 2.039 1.931 1.926 2.044 2.308 2.740 3.353 4.144 5.085 6.127 7.202 8.251 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.239 37.198 32.350 28.054 24.315 21.065 18.220 15.705 13.454 11.418 9.557 7.848 6.278 4.838 3.498 2.061 1.889 1.795 1.794 1.900 2.130 2.495 3.004 3.649 4.411 5.258 6.151 7.053 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.232 37.232 32.402 28.116 24.386 21.142 18.305 15.799 13.559 11.534 9.688 7.997 6.448 5.038 3.749 2.118 1.901 1.745 1.662 1.660 1.753 1.950 2.259 2.683 3.215 3.843 4.546 5.300 6.082 6.878 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.220 37.261 32.449 28.175 24.452 21.216 18.387 15.889 13.659 11.646 9.814 8.138 6.608 5.219 3.967 2.199 1.948 1.749 1.606 1.529 1.526 1.604 1.771 2.032 2.387 2.832 3.358 3.951 4.597 5.282 5.998 99999.999 99999.999 99999.999 99999.999 99999.999 42.201 37.285 32.492 28.229 24.515 21.286 18.465 15.976 13.756 11.754 9.934 8.272 6.758 5.386 4.157 2.297 2.021 1.789 1.603 1.471 1.398 1.391 1.455 1.596 1.816 2.115 2.490 2.936 3.444 4.005 4.611 5.258 5.943 99999.999 99999.999 99999.999 42.177 37.305 32.531 28.279 24.574 21.353 18.539 16.059 13.849 11.858 10.050 8.401 6.899 5.540 4.325 2.406 2.112 1.854 1.637 1.464 1.340 1.269 1.257 1.308 1.425 1.610 1.864 2.184 2.566 3.006 3.499 4.040 4.626 5.257 99999.999 99999.999 42.148 37.319 32.566 28.326 24.629 21.416 18.610 16.138 13.938 11.957 10.161 8.524 7.033 5.684 4.476 2.523 2.215 1.939 1.697 1.493 1.330 1.212 1.142 1.125 1.163 1.260 1.416 1.632 1.907 2.239 2.624 3.061 3.546 4.079 4.658 5.287 42.113 37.330 32.597 28.369 24.681 21.476 18.677 16.214 14.023 12.053 10.268 8.642 7.162 5.821 4.618 2.645 2.326 2.036 1.776 1.548 1.355 1.201 1.087 1.018 0.995 1.022 1.101 1.233 1.418 1.656 1.946 2.287 2.676 3.113 3.598 4.130 41.504 37.210 32.704 28.613 25.024 21.902 19.184 16.804 14.703 12.831 11.149 9.628 8.249 6.996 5.861 3.909 3.565 3.236 2.922 2.622 2.336 2.064 1.805 1.561 1.331 1.116 0.916 0.731 0.562 0.409 0.274 0.157 0.058 -0.022 -0.082 -0.122 40.490 36.748 32.504 28.572 25.097 22.069 19.435 17.137 15.120 13.337 11.748 10.322 9.036 7.873 6.821 5.001 4.678 4.366 4.066 3.776 3.496 3.226 2.966 2.714 2.470 2.234 2.006 1.786 1.572 1.366 1.167 0.974 0.788 0.609 0.436 0.269 39.155 36.010 32.057 28.303 24.957 22.030 19.484 17.268 15.333 13.632 12.128 10.789 9.590 8.513 7.542 5.872 5.576 5.290 5.015 4.749 4.493 4.245 4.005 3.772 3.546 3.326 3.112 2.904 2.700 2.501 2.306 2.115 1.927 1.743 1.561 1.382 37.559 35.048 31.408 27.848 24.640 21.822 19.368 17.236 15.381 13.759 12.335 11.076 9.958 8.961 8.068 6.545 6.277 6.019 5.771 5.532 5.302 5.079 4.864 4.656 4.455 4.259 4.068 3.882 3.700 3.522 3.348 3.176 3.007 2.840 2.675 2.512 35.747 33.900 30.589 27.237 24.176 21.473 19.116 17.070 15.293 13.748 12.399 11.217 10.174 9.252 8.433 7.051 6.810 6.579 6.357 6.144 5.940 5.743 5.554 5.371 5.194 5.023 4.857 4.695 4.537 4.383 4.232 4.084 3.939 3.795 3.653 3.512 33.755 32.594 29.628 26.492 23.587 21.005 18.749 16.790 15.093 13.623 12.346 11.236 10.265 9.413 8.663 7.416 7.200 6.995 6.798 6.611 6.431 6.259 6.094 5.935 5.782 5.635 5.492 5.354 5.220 5.090 4.962 4.838 4.715 4.595 4.476 4.358 31.608 31.154 28.544 25.634 22.890 20.434 18.282 16.412 14.795 13.400 12.194 11.152 10.249 9.465 8.781 7.660 7.469 7.288 7.115 6.951 6.795 6.646 6.504 6.369 6.238 6.114 5.994 5.878 5.766 5.658 5.553 5.450 5.349 5.251 5.154 5.058 99999.999 29.597 27.354 24.676 22.100 19.775 17.728 15.950 14.415 13.093 11.957 10.982 10.144 9.423 8.801 7.801 7.634 7.475 7.326 7.184 7.050 6.923 6.803 6.689 6.580 6.477 6.378 6.283 6.192 6.104 6.019 5.937 5.857 5.779 5.702 5.627 glaucophane-Fe Na2Al2Fe3Si8O24H2 P-T:All Wt.(g/mol) = 878.170 V(cc/mol) = 265.900 D(g/cc) = 3.303 Ref: H&P2011 6 2.000 13 3.000 11 2.000 8 8.000 7 -8.000 2 -14.000 1 33.851 29.020 24.532 20.580 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.851 29.020 24.532 20.580 17.131 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.854 29.024 24.536 20.584 17.135 14.108 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.859 29.030 24.543 20.591 17.142 14.116 11.427 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.868 29.041 24.554 20.603 17.155 14.129 11.440 9.014 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.883 29.059 24.573 20.623 17.175 14.149 11.462 9.037 6.809 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.904 29.085 24.601 20.651 17.204 14.180 11.494 9.071 6.846 4.751 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.933 29.121 24.640 20.692 17.246 14.223 11.540 9.120 6.899 4.810 2.776 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.972 29.171 24.694 20.747 17.303 14.282 11.602 9.186 6.971 4.890 2.869 0.827 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.023 29.236 24.763 20.820 17.378 14.360 11.683 9.273 7.066 4.996 2.991 0.976 -1.103 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.086 29.317 24.852 20.912 17.473 14.459 11.788 9.385 7.186 5.130 3.148 1.166 -0.872 -2.923 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.160 29.418 24.962 21.027 17.592 14.583 11.918 9.524 7.338 5.299 3.344 1.404 -0.577 -2.628 -4.357 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.213 29.491 25.043 21.113 17.681 14.676 12.017 9.629 7.452 5.426 3.491 1.584 -0.353 -2.370 -4.523 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.283 29.591 25.155 21.231 17.805 14.805 12.153 9.776 7.611 5.603 3.695 1.831 -0.041 -1.987 -4.251 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.344 29.685 25.261 21.344 17.923 14.929 12.284 9.916 7.764 5.772 3.890 2.068 0.258 -1.605 -3.802 12.655 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.397 29.771 25.361 21.451 18.036 15.048 12.410 10.051 7.911 5.936 4.078 2.294 0.542 -1.236 -3.305 2.153 6.739 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.443 29.851 25.455 21.552 18.143 15.161 12.531 10.181 8.052 6.092 4.258 2.509 0.812 -0.885 -2.810 -0.224 1.430 4.318 8.418 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.482 29.925 25.543 21.649 18.246 15.270 12.647 10.306 8.188 6.243 4.430 2.714 1.066 -0.556 -2.336 -1.179 -0.444 0.852 2.871 5.562 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.513 29.993 25.626 21.740 18.343 15.374 12.758 10.426 8.319 6.389 4.595 2.908 1.305 -0.248 -1.895 -1.633 -1.307 -0.675 0.358 1.852 3.753 5.817 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.537 30.054 25.703 21.826 18.437 15.474 12.865 10.542 8.446 6.528 4.753 3.093 1.529 0.036 -1.492 -1.852 -1.747 -1.451 -0.911 -0.079 1.065 2.476 4.019 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.555 30.111 25.776 21.908 18.525 15.569 12.967 10.653 8.567 6.663 4.905 3.269 1.739 0.298 -1.129 -1.942 -1.971 -1.869 -1.606 -1.149 -0.473 0.424 1.507 2.697 3.887 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.566 30.161 25.843 21.985 18.609 15.660 13.066 10.760 8.684 6.792 5.050 3.436 1.935 0.538 -0.806 -1.955 -2.071 -2.092 -1.999 -1.770 -1.385 -0.833 -0.117 0.737 1.678 2.646 3.582 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.571 30.207 25.906 22.058 18.689 15.746 13.160 10.862 8.796 6.916 5.189 3.594 2.119 0.757 -0.520 -1.919 -2.094 -2.197 -2.215 -2.134 -1.938 -1.616 -1.162 -0.583 0.103 0.865 1.666 2.471 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.570 30.247 25.964 22.126 18.765 15.829 13.250 10.960 8.904 7.036 5.323 3.745 2.291 0.958 -0.270 -1.850 -2.068 -2.228 -2.323 -2.341 -2.273 -2.108 -1.839 -1.465 -0.991 -0.430 0.199 0.872 1.570 2.277 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.563 30.282 26.017 22.190 18.837 15.908 13.336 11.055 9.008 7.151 5.451 3.888 2.452 1.141 -0.051 -1.759 -2.008 -2.210 -2.359 -2.447 -2.468 -2.414 -2.277 -2.054 -1.744 -1.352 -0.886 -0.359 0.216 0.826 1.463 99999.999 99999.999 99999.999 99999.999 99999.999 34.550 30.312 26.067 22.250 18.905 15.983 13.418 11.145 9.109 7.262 5.574 4.025 2.604 1.309 0.141 -1.653 -1.925 -2.157 -2.346 -2.486 -2.571 -2.596 -2.555 -2.444 -2.259 -2.002 -1.674 -1.282 -0.833 -0.336 0.203 0.778 1.388 99999.999 99999.999 99999.999 34.532 30.337 26.111 22.306 18.969 16.055 13.497 11.232 9.205 7.369 5.693 4.156 2.747 1.465 0.311 -1.537 -1.826 -2.081 -2.299 -2.477 -2.610 -2.694 -2.723 -2.695 -2.606 -2.454 -2.239 -1.963 -1.629 -1.243 -0.808 -0.329 0.192 0.755 99999.999 99999.999 34.508 30.358 26.152 22.359 19.030 16.123 13.572 11.316 9.297 7.472 5.807 4.281 2.884 1.611 0.464 -1.414 -1.715 -1.988 -2.228 -2.435 -2.604 -2.731 -2.814 -2.849 -2.833 -2.763 -2.638 -2.458 -2.224 -1.937 -1.601 -1.217 -0.788 -0.315 0.202 0.765 34.479 30.374 26.189 22.407 19.087 16.187 13.644 11.396 9.386 7.571 5.917 4.402 3.015 1.750 0.609 -1.287 -1.598 -1.883 -2.140 -2.369 -2.565 -2.726 -2.850 -2.933 -2.973 -2.967 -2.914 -2.812 -2.661 -2.460 -2.212 -1.917 -1.576 -1.191 -0.761 -0.286 33.921 30.312 26.353 22.705 19.481 16.661 14.194 12.025 10.102 8.381 6.826 5.413 4.124 2.947 1.873 0.009 -0.322 -0.640 -0.946 -1.238 -1.519 -1.787 -2.042 -2.285 -2.515 -2.732 -2.936 -3.126 -3.301 -3.461 -3.606 -3.734 -3.845 -3.938 -4.014 -4.071 32.957 29.904 26.207 22.716 19.603 16.874 14.488 12.398 10.555 8.919 7.453 6.132 4.933 3.844 2.852 1.120 0.809 0.509 0.219 -0.062 -0.334 -0.597 -0.853 -1.101 -1.341 -1.575 -1.802 -2.022 -2.236 -2.444 -2.646 -2.842 -3.032 -3.216 -3.395 -3.568 31.669 29.219 25.812 22.498 19.510 16.879 14.578 12.567 10.803 9.246 7.863 6.625 5.511 4.504 3.591 2.006 1.722 1.448 1.183 0.926 0.678 0.437 0.202 -0.026 -0.248 -0.465 -0.677 -0.884 -1.087 -1.286 -1.482 -1.674 -1.864 -2.051 -2.236 -2.419 30.117 28.308 25.213 22.091 19.239 16.714 14.503 12.573 10.886 9.405 8.098 6.938 5.902 4.973 4.136 2.694 2.438 2.191 1.952 1.722 1.499 1.283 1.074 0.870 0.672 0.479 0.290 0.106 -0.075 -0.253 -0.428 -0.601 -0.771 -0.940 -1.108 -1.274 28.348 27.208 24.444 21.527 18.820 16.408 14.291 12.444 10.833 9.426 8.192 7.105 6.142 5.286 4.520 3.215 2.985 2.764 2.552 2.347 2.149 1.959 1.774 1.595 1.422 1.253 1.089 0.928 0.771 0.617 0.465 0.316 0.168 0.022 -0.122 -0.266 26.397 25.949 23.530 20.829 18.275 15.981 13.962 12.200 10.666 9.332 8.168 7.151 6.257 5.469 4.770 3.596 3.391 3.195 3.007 2.826 2.653 2.486 2.325 2.170 2.020 1.875 1.734 1.596 1.462 1.331 1.203 1.076 0.952 0.828 0.707 0.585 24.290 24.556 22.493 20.016 17.622 15.452 13.534 11.859 10.403 9.140 8.045 7.095 6.266 5.543 4.908 3.857 3.676 3.503 3.338 3.181 3.030 2.886 2.748 2.615 2.487 2.364 2.245 2.129 2.017 1.907 1.800 1.695 1.592 1.491 1.390 1.290 99999.999 23.045 21.349 19.102 16.874 14.832 13.019 11.433 10.056 8.865 7.838 6.951 6.186 5.524 4.950 4.015 3.857 3.706 3.564 3.428 3.299 3.176 3.059 2.947 2.840 2.738 2.639 2.543 2.451 2.362 2.275 2.190 2.107 2.025 1.944 1.864 goethite FeO2H P-T:All Wt.(g/mol) = 88.850 V(cc/mol) = 20.820 D(g/cc) = 4.268 Ref: H&P2011 5 -1.875 1 -0.125 6 1.500 2 0.125 4 1.000 11 10.030 8.901 7.938 7.114 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.030 8.901 7.938 7.114 6.399 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.031 8.901 7.939 7.114 6.400 5.772 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.032 8.902 7.939 7.115 6.400 5.773 5.213 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.033 8.903 7.941 7.116 6.402 5.774 5.214 4.708 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.035 8.905 7.942 7.118 6.403 5.776 5.216 4.710 4.245 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.038 8.908 7.945 7.121 6.406 5.778 5.219 4.713 4.248 3.814 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.043 8.912 7.949 7.124 6.410 5.782 5.223 4.717 4.253 3.819 3.403 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.050 8.918 7.955 7.130 6.415 5.787 5.228 4.723 4.259 3.826 3.412 3.003 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.058 8.926 7.962 7.137 6.422 5.794 5.235 4.730 4.268 3.836 3.424 3.019 2.612 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.069 8.936 7.971 7.146 6.431 5.803 5.245 4.740 4.279 3.848 3.439 3.038 2.637 2.238 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.082 8.948 7.983 7.157 6.442 5.814 5.256 4.753 4.292 3.864 3.458 3.063 2.669 2.271 1.910 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.093 8.958 7.992 7.166 6.450 5.823 5.265 4.762 4.303 3.876 3.472 3.081 2.693 2.300 1.887 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.107 8.971 8.005 7.178 6.462 5.835 5.278 4.776 4.317 3.892 3.492 3.106 2.727 2.344 1.919 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.122 8.984 8.017 7.190 6.474 5.847 5.290 4.789 4.331 3.908 3.511 3.131 2.760 2.388 1.974 3.845 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.136 8.997 8.029 7.202 6.486 5.858 5.302 4.801 4.345 3.924 3.529 3.154 2.791 2.430 2.034 2.539 3.068 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.149 9.010 8.041 7.213 6.497 5.870 5.314 4.814 4.358 3.939 3.547 3.176 2.820 2.470 2.095 2.229 2.397 2.716 3.168 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.162 9.022 8.053 7.224 6.508 5.881 5.325 4.826 4.372 3.953 3.564 3.197 2.847 2.508 2.152 2.098 2.151 2.275 2.486 2.772 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.175 9.034 8.064 7.235 6.519 5.892 5.336 4.837 4.384 3.967 3.580 3.216 2.872 2.542 2.205 2.032 2.033 2.073 2.164 2.310 2.501 2.703 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.187 9.046 8.075 7.246 6.529 5.902 5.347 4.849 4.397 3.981 3.596 3.235 2.896 2.574 2.253 1.996 1.968 1.966 1.995 2.060 2.163 2.296 2.440 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.199 9.057 8.086 7.256 6.539 5.913 5.358 4.860 4.409 3.994 3.611 3.253 2.918 2.603 2.295 1.976 1.932 1.904 1.898 1.917 1.963 2.036 2.130 2.233 2.331 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.211 9.068 8.097 7.267 6.550 5.923 5.368 4.871 4.420 4.007 3.625 3.270 2.939 2.629 2.333 1.967 1.911 1.868 1.840 1.830 1.840 1.871 1.922 1.988 2.063 2.138 2.207 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.223 9.079 8.107 7.277 6.560 5.933 5.378 4.882 4.432 4.020 3.639 3.286 2.958 2.652 2.365 1.965 1.901 1.847 1.805 1.776 1.762 1.764 1.783 1.818 1.864 1.919 1.976 2.033 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.234 9.090 8.118 7.287 6.569 5.942 5.388 4.892 4.443 4.032 3.653 3.302 2.976 2.674 2.393 1.967 1.897 1.836 1.784 1.742 1.712 1.694 1.690 1.700 1.721 1.753 1.793 1.837 1.883 1.929 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.245 9.100 8.128 7.296 6.579 5.952 5.398 4.902 4.454 4.044 3.666 3.316 2.992 2.693 2.416 1.972 1.898 1.831 1.772 1.721 1.679 1.648 1.627 1.618 1.620 1.632 1.653 1.681 1.715 1.752 1.792 99999.999 99999.999 99999.999 99999.999 99999.999 10.256 9.111 8.138 7.306 6.588 5.961 5.407 4.912 4.465 4.056 3.679 3.330 3.008 2.710 2.436 1.980 1.903 1.831 1.767 1.709 1.659 1.617 1.584 1.561 1.547 1.543 1.548 1.560 1.580 1.605 1.636 1.670 1.709 99999.999 99999.999 99999.999 10.266 9.121 8.147 7.315 6.597 5.970 5.417 4.922 4.475 4.067 3.691 3.344 3.023 2.726 2.454 1.989 1.909 1.835 1.766 1.703 1.647 1.598 1.556 1.522 1.496 1.479 1.470 1.468 1.474 1.487 1.506 1.530 1.560 1.595 99999.999 99999.999 10.276 9.131 8.157 7.325 6.606 5.980 5.426 4.932 4.485 4.078 3.703 3.357 3.037 2.741 2.469 1.999 1.918 1.841 1.769 1.702 1.641 1.586 1.537 1.495 1.460 1.432 1.412 1.399 1.393 1.394 1.401 1.415 1.434 1.459 1.490 1.527 10.286 9.140 8.166 7.334 6.615 5.988 5.435 4.941 4.495 4.089 3.715 3.370 3.050 2.755 2.483 2.010 1.927 1.849 1.774 1.705 1.640 1.580 1.526 1.478 1.435 1.399 1.370 1.347 1.331 1.321 1.318 1.321 1.330 1.345 1.366 1.393 10.372 9.227 8.250 7.416 6.696 6.069 5.517 5.026 4.585 4.185 3.819 3.482 3.171 2.882 2.614 2.136 2.048 1.963 1.881 1.801 1.724 1.648 1.575 1.505 1.436 1.370 1.307 1.246 1.187 1.130 1.077 1.025 0.977 0.931 0.888 0.848 10.439 9.298 8.321 7.485 6.765 6.137 5.586 5.098 4.660 4.265 3.905 3.574 3.270 2.988 2.726 2.256 2.170 2.085 2.003 1.923 1.845 1.769 1.694 1.621 1.550 1.480 1.412 1.345 1.280 1.216 1.153 1.092 1.031 0.972 0.915 0.858 10.491 9.357 8.382 7.545 6.824 6.197 5.646 5.159 4.724 4.332 3.977 3.652 3.353 3.077 2.822 2.362 2.277 2.195 2.114 2.036 1.959 1.884 1.811 1.739 1.669 1.600 1.532 1.465 1.400 1.336 1.272 1.210 1.148 1.088 1.028 0.969 10.531 9.407 8.434 7.598 6.877 6.249 5.699 5.213 4.780 4.391 4.039 3.718 3.425 3.154 2.903 2.454 2.371 2.291 2.212 2.135 2.061 1.987 1.916 1.846 1.777 1.710 1.644 1.579 1.515 1.452 1.390 1.329 1.269 1.209 1.150 1.092 10.562 9.450 8.480 7.645 6.923 6.296 5.746 5.261 4.829 4.442 4.093 3.776 3.486 3.220 2.974 2.534 2.453 2.375 2.298 2.223 2.150 2.079 2.009 1.941 1.874 1.808 1.744 1.681 1.619 1.558 1.498 1.439 1.380 1.322 1.265 1.209 10.585 9.487 8.520 7.686 6.965 6.338 5.789 5.304 4.873 4.488 4.141 3.827 3.541 3.278 3.036 2.604 2.525 2.448 2.373 2.300 2.229 2.159 2.091 2.024 1.959 1.896 1.833 1.772 1.711 1.652 1.594 1.536 1.480 1.424 1.369 1.314 10.602 9.519 8.556 7.724 7.004 6.377 5.827 5.343 4.913 4.529 4.184 3.872 3.589 3.329 3.091 2.667 2.589 2.513 2.440 2.368 2.298 2.230 2.164 2.099 2.035 1.973 1.912 1.852 1.793 1.736 1.679 1.623 1.568 1.514 1.460 1.408 99999.999 9.547 8.589 7.758 7.039 6.412 5.863 5.379 4.950 4.567 4.224 3.913 3.632 3.375 3.140 2.722 2.645 2.571 2.499 2.429 2.360 2.293 2.228 2.165 2.102 2.042 1.982 1.924 1.866 1.810 1.755 1.700 1.647 1.594 1.542 1.491 goethite FeO2H P-T:All Wt.(g/mol) = 88.850 V(cc/mol) = 20.820 D(g/cc) = 4.268 Ref: H&P2011 4 -2.000 1 1.000 11 1.500 2 0.250 31 -8.982 -8.389 -7.867 -7.400 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.982 -8.389 -7.867 -7.400 -6.982 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.982 -8.389 -7.866 -7.400 -6.981 -6.605 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.981 -8.388 -7.866 -7.400 -6.981 -6.605 -6.267 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.981 -8.388 -7.866 -7.399 -6.981 -6.604 -6.267 -5.964 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.979 -8.387 -7.865 -7.398 -6.980 -6.603 -6.266 -5.963 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-1.338 -1.326 -1.315 -1.305 -1.296 -1.289 -1.282 -1.277 -1.273 -1.269 -1.267 -1.265 -6.065 -5.346 -4.736 -4.221 -3.783 -3.409 -3.088 -2.811 -2.572 -2.363 -2.182 -2.024 -1.886 -1.766 -1.661 -1.492 -1.464 -1.437 -1.413 -1.389 -1.368 -1.347 -1.328 -1.311 -1.294 -1.279 -1.265 -1.253 -1.241 -1.231 -1.221 -1.213 -1.206 -1.199 -1.194 -1.189 -6.140 -5.408 -4.789 -4.266 -3.822 -3.443 -3.117 -2.835 -2.591 -2.379 -2.193 -2.031 -1.889 -1.764 -1.655 -1.477 -1.447 -1.418 -1.391 -1.366 -1.342 -1.320 -1.299 -1.279 -1.261 -1.244 -1.228 -1.213 -1.199 -1.186 -1.175 -1.164 -1.154 -1.145 -1.138 -1.131 -6.219 -5.472 -4.843 -4.313 -3.862 -3.477 -3.146 -2.860 -2.612 -2.395 -2.206 -2.040 -1.894 -1.765 -1.652 -1.466 -1.434 -1.404 -1.375 -1.349 -1.323 -1.299 -1.276 -1.255 -1.235 -1.216 -1.198 -1.181 -1.166 -1.151 -1.138 -1.125 -1.114 -1.103 -1.094 -1.085 99999.999 -5.537 -4.898 -4.360 -3.904 -3.513 -3.177 -2.887 -2.634 -2.414 -2.220 -2.050 -1.901 -1.769 -1.652 -1.459 -1.425 -1.394 -1.364 -1.336 -1.309 -1.283 -1.259 -1.236 -1.215 -1.194 -1.175 -1.157 -1.140 -1.124 -1.109 -1.095 -1.082 -1.070 -1.058 -1.048 graphite C P-T:All Wt.(g/mol) = 12.010 V(cc/mol) = 5.300 D(g/cc) = 2.266 Ref: H&P2011 4 1.000 1 1.000 5 -1.000 31 -1.000 2 70.375 64.172 58.805 54.117 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.375 64.172 58.805 54.117 49.981 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.376 64.173 58.805 54.117 49.982 46.298 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.377 64.174 58.806 54.118 49.983 46.299 42.988 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.379 64.177 58.808 54.120 49.985 46.301 42.990 39.988 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.383 64.180 58.812 54.124 49.988 46.304 42.993 39.991 37.246 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.389 64.185 58.816 54.128 49.993 46.309 42.998 39.996 37.251 34.718 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.397 64.193 58.823 54.135 49.999 46.316 43.005 40.003 37.259 34.727 32.364 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.408 64.203 58.833 54.144 50.008 46.325 43.014 40.013 37.270 34.739 32.379 30.146 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.423 64.216 58.846 54.156 50.020 46.337 43.027 40.027 37.285 34.756 32.400 30.173 28.022 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.442 64.234 58.862 54.173 50.036 46.353 43.043 40.044 37.304 34.778 32.426 30.207 28.073 25.931 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.467 64.257 58.884 54.193 50.056 46.373 43.064 40.066 37.328 34.805 32.458 30.249 28.134 26.040 23.722 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.486 64.274 58.900 54.209 50.072 46.389 43.080 40.083 37.346 34.825 32.483 30.280 28.178 26.113 23.923 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.514 64.299 58.924 54.232 50.094 46.411 43.103 40.107 37.372 34.854 32.516 30.323 28.236 26.204 24.118 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.541 64.324 58.947 54.254 50.116 46.433 43.125 40.130 37.397 34.882 32.549 30.363 28.290 26.284 24.265 18.403 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.568 64.348 58.970 54.276 50.138 46.455 43.148 40.154 37.422 34.910 32.581 30.402 28.340 26.357 24.386 20.076 18.617 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.594 64.373 58.993 54.298 50.160 46.476 43.170 40.177 37.446 34.937 32.612 30.439 28.387 26.422 24.489 20.557 19.557 18.349 16.840 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.621 64.397 59.016 54.320 50.181 46.498 43.191 40.199 37.470 34.963 32.641 30.474 28.432 26.482 24.580 20.830 19.976 19.036 17.967 16.729 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.647 64.421 59.038 54.342 50.202 46.519 43.213 40.221 37.494 34.989 32.670 30.508 28.474 26.538 24.661 21.022 20.238 19.412 18.522 17.545 16.464 15.279 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.673 64.445 59.061 54.363 50.223 46.540 43.234 40.243 37.517 35.014 32.699 30.541 28.514 26.590 24.734 21.171 20.429 19.664 18.865 18.017 17.109 16.131 15.088 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.699 64.468 59.083 54.385 50.244 46.560 43.255 40.265 37.540 35.038 32.726 30.573 28.552 26.638 24.801 21.293 20.580 19.854 19.107 18.333 17.523 16.669 15.769 14.824 13.845 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.725 64.492 59.105 54.406 50.265 46.581 43.276 40.286 37.562 35.063 32.753 30.604 28.589 26.684 24.861 21.398 20.705 20.005 19.294 18.567 17.817 17.040 16.232 15.391 14.521 13.628 12.723 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.750 64.515 59.127 54.427 50.285 46.601 43.296 40.307 37.585 35.086 32.779 30.633 28.624 26.726 24.917 21.489 20.812 20.132 19.446 18.751 18.042 17.316 16.569 15.800 15.009 14.198 13.372 12.539 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.776 64.538 59.149 54.448 50.306 46.622 43.317 40.328 37.606 35.110 32.805 30.662 28.657 26.766 24.968 21.571 20.906 20.241 19.574 18.902 18.223 17.532 16.829 16.110 15.376 14.626 13.863 13.092 12.317 11.544 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.801 64.561 59.170 54.468 50.326 46.642 43.337 40.349 37.628 35.133 32.830 30.690 28.689 26.805 25.015 21.645 20.990 20.337 19.685 19.031 18.373 17.709 17.037 16.355 15.663 14.959 14.246 13.524 12.798 12.071 11.348 99999.999 99999.999 99999.999 99999.999 99999.999 70.826 64.584 59.192 54.489 50.346 46.661 43.357 40.369 37.649 35.156 32.854 30.717 28.720 26.841 25.060 21.713 21.066 20.424 19.783 19.143 18.502 17.859 17.210 16.556 15.895 15.227 14.551 13.869 13.184 12.496 11.810 11.129 10.456 99999.999 99999.999 99999.999 70.851 64.607 59.213 54.509 50.366 46.681 43.376 40.390 37.670 35.178 32.878 30.744 28.750 26.876 25.101 21.776 21.136 20.502 19.871 19.243 18.615 17.988 17.358 16.725 16.089 15.448 14.802 14.152 13.499 12.844 12.191 11.540 10.895 10.258 99999.999 99999.999 70.875 64.629 59.234 54.530 50.385 46.700 43.396 40.410 37.691 35.200 32.902 30.770 28.779 26.909 25.141 21.835 21.201 20.574 19.951 19.332 18.716 18.101 17.487 16.871 16.254 15.634 15.012 14.388 13.761 13.134 12.508 11.884 11.264 10.651 10.046 9.451 70.900 64.652 59.256 54.550 50.405 46.720 43.415 40.429 37.712 35.221 32.925 30.795 28.808 26.942 25.178 21.890 21.261 20.640 20.024 19.414 18.807 18.203 17.600 16.999 16.397 15.795 15.192 14.589 13.984 13.380 12.776 12.175 11.577 10.985 10.400 9.823 71.136 64.869 59.459 54.745 50.594 46.906 43.601 40.617 37.905 35.424 33.140 31.026 29.060 27.222 25.495 22.316 21.718 21.131 20.553 19.985 19.426 18.875 18.332 17.796 17.268 16.745 16.229 15.718 15.213 14.713 14.218 13.728 13.244 12.764 12.289 11.820 71.360 65.074 59.652 54.929 50.772 47.080 43.774 40.791 38.082 35.605 33.329 31.226 29.273 27.451 25.745 22.623 22.038 21.466 20.905 20.355 19.815 19.285 18.764 18.252 17.748 17.253 16.765 16.285 15.811 15.345 14.885 14.431 13.984 13.543 13.107 12.678 71.573 65.270 59.836 55.104 50.941 47.245 43.936 40.953 38.245 35.772 33.501 31.405 29.461 27.650 25.957 22.869 22.293 21.730 21.179 20.638 20.109 19.590 19.081 18.582 18.091 17.609 17.136 16.671 16.213 15.763 15.320 14.884 14.455 14.032 13.616 13.205 71.778 65.458 60.013 55.272 51.102 47.402 44.091 41.107 38.399 35.927 33.660 31.568 29.630 27.828 26.144 23.079 22.509 21.952 21.406 20.873 20.350 19.838 19.337 18.845 18.363 17.889 17.425 16.969 16.521 16.080 15.648 15.222 14.803 14.391 13.986 13.587 71.976 65.640 60.183 55.433 51.258 47.553 44.239 41.253 38.544 36.074 33.808 31.720 29.786 27.989 26.312 23.264 22.698 22.145 21.604 21.075 20.557 20.050 19.554 19.067 18.590 18.123 17.664 17.214 16.772 16.339 15.912 15.493 15.082 14.677 14.279 13.887 72.169 65.816 60.347 55.590 51.408 47.698 44.381 41.392 38.683 36.213 33.948 31.862 29.932 28.138 26.466 23.431 22.868 22.317 21.780 21.254 20.739 20.236 19.743 19.261 18.788 18.325 17.870 17.425 16.987 16.558 16.136 15.722 15.315 14.916 14.522 14.136 72.356 65.988 60.507 55.741 51.553 47.838 44.517 41.527 38.816 36.345 34.081 31.996 30.068 28.278 26.609 23.584 23.023 22.475 21.939 21.416 20.904 20.403 19.913 19.434 18.964 18.504 18.052 17.610 17.176 16.750 16.332 15.921 15.518 15.121 14.732 14.349 99999.999 66.155 60.663 55.888 51.694 47.975 44.650 41.657 38.944 36.472 34.208 32.124 30.197 28.409 26.743 23.725 23.165 22.619 22.086 21.564 21.054 20.556 20.068 19.591 19.123 18.665 18.216 17.776 17.344 16.921 16.505 16.097 15.697 15.303 14.916 14.536 greenalite Fe3Si2O9H4 P-T:All Wt.(g/mol) = 371.728 V(cc/mol) = 119.800 D(g/cc) = 3.103 Ref: H&P2011 4 3.000 11 2.000 7 1.000 2 -6.000 1 25.416 22.561 20.069 17.928 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.416 22.561 20.069 17.928 16.084 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.417 22.562 20.070 17.930 16.085 14.480 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.420 22.565 20.073 17.933 16.088 14.483 13.067 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.424 22.570 20.078 17.937 16.093 14.488 13.072 11.806 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.431 22.577 20.085 17.945 16.100 14.495 13.080 11.814 10.663 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.441 22.589 20.097 17.956 16.112 14.507 13.092 11.826 10.676 9.608 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.456 22.604 20.113 17.972 16.128 14.523 13.109 11.844 10.695 9.629 8.612 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.475 22.626 20.135 17.994 16.150 14.545 13.132 11.868 10.721 9.658 8.646 7.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.501 22.654 20.163 18.023 16.179 14.575 13.162 11.900 10.755 9.696 8.690 7.702 6.710 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.533 22.690 20.200 18.060 16.216 14.612 13.201 11.941 10.799 9.744 8.746 7.771 6.793 5.826 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.573 22.735 20.246 18.106 16.263 14.660 13.250 11.992 10.854 9.805 8.816 7.857 6.900 5.933 5.093 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.603 22.769 20.281 18.142 16.298 14.696 13.287 12.031 10.896 9.851 8.869 7.921 6.982 6.028 5.028 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.643 22.816 20.330 18.190 16.347 14.746 13.339 12.086 10.954 9.915 8.943 8.011 7.096 6.169 5.128 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.681 22.861 20.376 18.238 16.395 14.795 13.389 12.138 11.010 9.977 9.013 8.097 7.205 6.309 5.296 11.200 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.717 22.904 20.421 18.283 16.441 14.842 13.438 12.190 11.065 10.037 9.081 8.179 7.308 6.445 5.482 7.303 8.959 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.750 22.945 20.464 18.327 16.486 14.887 13.485 12.239 11.118 10.094 9.147 8.257 7.407 6.575 5.668 6.396 6.968 7.995 9.439 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.782 22.984 20.506 18.370 16.529 14.931 13.530 12.287 11.169 10.150 9.210 8.331 7.499 6.696 5.845 6.023 6.251 6.689 7.394 8.331 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.811 23.021 20.546 18.411 16.571 14.974 13.575 12.333 11.218 10.204 9.270 8.402 7.587 6.809 6.009 5.839 5.913 6.103 6.443 6.952 7.604 8.297 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.838 23.056 20.584 18.450 16.611 15.015 13.618 12.378 11.266 10.256 9.329 8.470 7.669 6.913 6.159 5.746 5.735 5.798 5.954 6.219 6.599 7.072 7.583 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.863 23.090 20.621 18.488 16.650 15.056 13.659 12.422 11.313 10.307 9.385 8.534 7.745 7.009 6.294 5.702 5.640 5.629 5.680 5.806 6.013 6.302 6.655 7.042 7.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.886 23.122 20.656 18.525 16.688 15.094 13.699 12.464 11.358 10.355 9.439 8.595 7.817 7.097 6.413 5.688 5.592 5.534 5.521 5.560 5.659 5.821 6.043 6.313 6.612 6.915 7.199 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.907 23.153 20.690 18.561 16.724 15.132 13.738 12.505 11.402 10.403 9.491 8.654 7.884 7.177 6.518 5.694 5.575 5.485 5.429 5.412 5.440 5.515 5.641 5.813 6.023 6.258 6.504 6.747 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.926 23.182 20.723 18.595 16.759 15.168 13.776 12.545 11.444 10.448 9.541 8.709 7.947 7.250 6.609 5.712 5.576 5.464 5.378 5.323 5.302 5.319 5.376 5.472 5.605 5.770 5.959 6.161 6.370 6.580 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.944 23.209 20.754 18.628 16.794 15.203 13.813 12.584 11.485 10.493 9.589 8.763 8.006 7.316 6.689 5.739 5.591 5.462 5.356 5.273 5.218 5.193 5.200 5.240 5.313 5.417 5.548 5.701 5.870 6.050 6.238 99999.999 99999.999 99999.999 99999.999 99999.999 25.960 23.236 20.784 18.659 16.826 15.237 13.848 12.621 11.525 10.536 9.636 8.813 8.062 7.377 6.758 5.772 5.615 5.474 5.352 5.250 5.170 5.114 5.085 5.083 5.109 5.163 5.244 5.349 5.474 5.616 5.773 5.943 6.124 99999.999 99999.999 99999.999 25.974 23.260 20.813 18.690 16.858 15.270 13.883 12.657 11.564 10.578 9.681 8.862 8.114 7.434 6.819 5.810 5.646 5.496 5.361 5.244 5.146 5.067 5.011 4.977 4.968 4.983 5.022 5.084 5.168 5.272 5.393 5.530 5.683 5.850 99999.999 99999.999 25.986 23.284 20.840 18.719 16.889 15.302 13.916 12.693 11.601 10.618 9.725 8.910 8.165 7.487 6.874 5.851 5.681 5.524 5.381 5.252 5.140 5.044 4.967 4.909 4.872 4.856 4.861 4.888 4.936 5.004 5.090 5.194 5.314 5.451 5.604 5.774 25.997 23.306 20.866 18.748 16.919 15.333 13.948 12.727 11.638 10.658 9.767 8.955 8.213 7.537 6.925 5.893 5.719 5.557 5.407 5.270 5.146 5.037 4.944 4.868 4.809 4.769 4.747 4.745 4.762 4.798 4.852 4.924 5.013 5.119 5.242 5.381 26.028 23.460 21.070 18.977 17.164 15.593 14.222 13.018 11.951 10.995 10.133 9.350 8.636 7.984 7.388 6.347 6.161 5.982 5.810 5.643 5.484 5.330 5.183 5.042 4.907 4.778 4.656 4.540 4.431 4.328 4.233 4.145 4.064 3.990 3.925 3.867 25.938 23.513 21.183 19.122 17.331 15.776 14.421 13.234 12.185 11.250 10.412 9.654 8.965 8.338 7.764 6.757 6.575 6.399 6.229 6.064 5.904 5.749 5.598 5.451 5.309 5.171 5.036 4.905 4.778 4.654 4.533 4.416 4.302 4.191 4.083 3.978 25.753 23.486 21.225 19.202 17.436 15.899 14.561 13.390 12.358 11.443 10.625 9.889 9.224 8.619 8.067 7.100 6.926 6.757 6.593 6.434 6.280 6.130 5.984 5.842 5.704 5.569 5.437 5.309 5.183 5.059 4.938 4.819 4.703 4.588 4.475 4.363 25.490 23.394 21.209 19.229 17.490 15.975 14.654 13.499 12.483 11.585 10.786 10.071 9.426 8.842 8.311 7.383 7.216 7.055 6.898 6.746 6.599 6.456 6.318 6.182 6.051 5.922 5.797 5.674 5.554 5.436 5.320 5.207 5.095 4.984 4.875 4.768 25.165 23.249 21.145 19.211 17.503 16.010 14.708 13.569 12.570 11.688 10.906 10.209 9.582 9.018 8.506 7.616 7.456 7.302 7.152 7.008 6.867 6.732 6.600 6.471 6.347 6.225 6.106 5.990 5.877 5.766 5.657 5.550 5.444 5.341 5.238 5.137 24.787 23.059 21.041 19.156 17.481 16.012 14.729 13.608 12.624 11.758 10.992 10.311 9.702 9.155 8.661 7.805 7.652 7.505 7.362 7.224 7.091 6.962 6.836 6.715 6.596 6.481 6.369 6.260 6.153 6.049 5.946 5.846 5.747 5.650 5.554 5.460 24.365 22.831 20.902 19.069 17.429 15.986 14.723 13.619 12.651 11.801 11.049 10.383 9.790 9.259 8.782 7.959 7.812 7.671 7.535 7.403 7.276 7.153 7.034 6.918 6.806 6.697 6.591 6.488 6.387 6.289 6.193 6.098 6.006 5.915 5.825 5.737 99999.999 22.572 20.735 18.955 17.351 15.935 14.694 13.608 12.656 11.820 11.083 10.431 9.853 9.337 8.874 8.082 7.941 7.806 7.675 7.549 7.428 7.311 7.197 7.087 6.981 6.878 6.777 6.680 6.585 6.492 6.401 6.313 6.226 6.141 6.057 5.974 grunerite Fe7Si8O24H2 P-T:All Wt.(g/mol) = 1001.620 V(cc/mol) = 278.400 D(g/cc) = 3.598 Ref: H&P2011 4 7.000 11 8.000 7 -8.000 2 -14.000 1 52.899 46.461 40.621 35.514 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.899 46.461 40.621 35.514 31.063 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.903 46.464 40.625 35.518 31.068 27.164 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.908 46.471 40.633 35.526 31.075 27.172 23.710 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.918 46.483 40.645 35.538 31.088 27.186 23.724 20.610 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.933 46.502 40.665 35.559 31.109 27.207 23.746 20.634 17.791 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.956 46.530 40.694 35.589 31.140 27.239 23.779 20.669 17.829 15.181 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.988 46.569 40.736 35.632 31.184 27.284 23.826 20.719 17.883 15.241 12.705 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.031 46.622 40.793 35.690 31.244 27.346 23.891 20.787 17.957 15.322 12.800 10.300 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.086 46.692 40.867 35.767 31.322 27.427 23.975 20.877 18.053 15.429 12.924 10.451 7.942 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.155 46.779 40.962 35.865 31.423 27.530 24.084 20.992 18.177 15.567 13.082 10.643 8.178 5.688 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.237 46.888 41.079 35.986 31.548 27.660 24.220 21.136 18.333 15.739 13.281 10.884 8.477 6.008 3.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.297 46.968 41.167 36.078 31.643 27.758 24.322 21.245 18.450 15.868 13.430 11.065 8.703 6.276 3.665 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.375 47.077 41.287 36.204 31.773 27.894 24.465 21.396 18.614 16.049 13.637 11.315 9.018 6.668 4.000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.445 47.179 41.401 36.325 31.899 28.024 24.602 21.542 18.771 16.222 13.836 11.553 9.318 7.054 4.474 17.022 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.508 47.274 41.510 36.440 32.019 28.150 24.734 21.683 18.922 16.389 14.026 11.781 9.603 7.424 4.979 8.512 12.025 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.562 47.363 41.612 36.549 32.134 28.270 24.860 21.818 19.069 16.550 14.209 11.998 9.873 7.775 5.477 6.608 7.743 9.866 12.873 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.610 47.446 41.709 36.654 32.244 28.385 24.983 21.948 19.209 16.705 14.385 12.205 10.128 8.105 5.949 5.877 6.261 7.101 8.515 10.418 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.650 47.523 41.800 36.753 32.349 28.496 25.100 22.074 19.345 16.854 14.553 12.402 10.369 8.412 6.387 5.558 5.608 5.910 6.535 7.523 8.805 10.153 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.684 47.594 41.887 36.848 32.449 28.603 25.213 22.195 19.476 16.998 14.715 12.589 10.594 8.697 6.787 5.432 5.302 5.331 5.560 6.023 6.729 7.626 8.590 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.710 47.659 41.968 36.937 32.545 28.704 25.321 22.311 19.602 17.137 14.870 12.768 10.806 8.960 7.149 5.410 5.172 5.044 5.050 5.214 5.552 6.061 6.704 7.406 8.075 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.731 47.719 42.044 37.022 32.637 28.802 25.426 22.423 19.724 17.270 15.019 12.938 11.005 9.202 7.472 5.449 5.142 4.916 4.786 4.767 4.875 5.116 5.483 5.949 6.469 6.988 7.458 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.745 47.773 42.115 37.103 32.724 28.896 25.526 22.531 19.841 17.399 15.162 13.099 11.192 9.423 7.759 5.526 5.173 4.882 4.663 4.527 4.485 4.546 4.710 4.972 5.312 5.702 6.108 6.503 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.753 47.822 42.182 37.180 32.808 28.985 25.622 22.635 19.954 17.523 15.299 13.253 11.367 9.627 8.012 5.629 5.243 4.906 4.627 4.412 4.270 4.207 4.228 4.333 4.515 4.762 5.057 5.378 5.710 6.042 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.755 47.866 42.244 37.252 32.887 29.071 25.715 22.735 20.063 17.643 15.431 13.400 11.531 9.814 8.234 5.747 5.338 4.970 4.648 4.378 4.165 4.016 3.934 3.922 3.980 4.102 4.281 4.504 4.761 5.041 5.339 99999.999 99999.999 99999.999 99999.999 99999.999 53.751 47.906 42.302 37.320 32.963 29.153 25.803 22.832 20.169 17.758 15.559 13.541 11.687 9.986 8.431 5.877 5.450 5.059 4.707 4.397 4.134 3.922 3.766 3.668 3.630 3.651 3.727 3.853 4.023 4.230 4.468 4.734 5.028 99999.999 99999.999 99999.999 53.742 47.940 42.355 37.384 33.034 29.231 25.888 22.924 20.270 17.870 15.681 13.675 11.834 10.147 8.607 6.013 5.574 5.166 4.791 4.452 4.153 3.896 3.685 3.523 3.411 3.351 3.343 3.384 3.470 3.599 3.767 3.970 4.207 4.478 99999.999 99999.999 53.727 47.970 42.404 37.444 33.103 29.306 25.970 23.013 20.368 17.977 15.799 13.805 11.974 10.298 8.768 6.154 5.706 5.285 4.894 4.534 4.207 3.916 3.664 3.453 3.286 3.163 3.086 3.055 3.068 3.124 3.221 3.357 3.531 3.741 3.990 4.279 53.707 47.996 42.450 37.501 33.167 29.378 26.048 23.099 20.462 18.081 15.913 13.929 12.110 10.442 8.918 6.297 5.842 5.412 5.009 4.633 4.285 3.969 3.686 3.439 3.228 3.056 2.925 2.834 2.785 2.777 2.809 2.880 2.990 3.138 3.325 3.551 53.242 48.025 42.701 37.881 33.637 29.922 26.663 23.787 21.231 18.938 16.865 14.980 13.257 11.679 10.232 7.684 7.224 6.779 6.349 5.932 5.530 5.141 4.766 4.404 4.055 3.720 3.398 3.090 2.797 2.518 2.255 2.007 1.775 1.560 1.363 1.183 52.370 47.710 42.643 37.975 33.837 30.206 27.023 24.220 21.739 19.526 17.537 15.739 14.104 12.612 11.247 8.843 8.407 7.984 7.575 7.177 6.790 6.414 6.048 5.692 5.345 5.006 4.676 4.354 4.040 3.733 3.433 3.141 2.855 2.577 2.305 2.040 51.176 47.118 42.337 37.840 33.821 30.284 27.180 24.452 22.044 19.905 17.994 16.275 14.720 13.308 12.021 9.764 9.356 8.961 8.578 8.206 7.845 7.494 7.152 6.819 6.494 6.177 5.866 5.563 5.265 4.973 4.687 4.405 4.128 3.855 3.586 3.320 49.719 46.301 41.828 37.517 33.629 30.192 27.173 24.521 22.185 20.118 18.279 16.633 15.153 13.815 12.600 10.484 10.103 9.735 9.379 9.033 8.699 8.374 8.058 7.750 7.450 7.158 6.873 6.593 6.320 6.051 5.788 5.528 5.273 5.021 4.773 4.527 48.046 45.295 41.149 37.037 33.289 29.960 27.030 24.456 22.192 20.194 18.424 16.847 15.436 14.167 13.021 11.036 10.681 10.339 10.008 9.688 9.378 9.078 8.787 8.504 8.229 7.961 7.700 7.445 7.196 6.952 6.712 6.477 6.246 6.018 5.793 5.570 46.190 44.132 40.325 36.424 32.823 29.608 26.771 24.277 22.086 20.156 18.452 16.941 15.595 14.391 13.309 11.448 11.118 10.799 10.492 10.196 9.910 9.633 9.365 9.105 8.854 8.609 8.371 8.139 7.912 7.691 7.475 7.262 7.054 6.849 6.647 6.447 44.179 42.833 39.379 35.696 32.250 29.153 26.412 24.001 21.883 20.022 18.382 16.934 15.650 14.507 13.485 11.742 11.434 11.138 10.854 10.580 10.316 10.061 9.815 9.577 9.346 9.123 8.906 8.695 8.490 8.290 8.095 7.904 7.716 7.532 7.351 7.173 99999.999 41.417 38.325 34.869 31.583 28.609 25.967 23.641 21.598 19.804 18.228 16.841 15.616 14.531 13.567 11.935 11.649 11.374 11.111 10.857 10.614 10.380 10.154 9.936 9.726 9.522 9.325 9.134 8.948 8.768 8.592 8.420 8.252 8.087 7.925 7.766 halite NaCl P-T:All Wt.(g/mol) = 58.440 V(cc/mol) = 27.020 D(g/cc) = 2.163 Ref: H&P2011 2 1.000 13 1.000 3 1.477 1.572 1.604 1.599 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.477 1.572 1.604 1.599 1.568 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.477 1.572 1.604 1.599 1.568 1.515 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.478 1.573 1.604 1.600 1.568 1.515 1.441 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.479 1.573 1.605 1.600 1.569 1.516 1.442 1.349 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.481 1.575 1.606 1.601 1.570 1.517 1.443 1.350 1.235 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.484 1.577 1.608 1.603 1.571 1.518 1.445 1.352 1.238 1.098 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.488 1.579 1.610 1.605 1.573 1.521 1.448 1.355 1.242 1.103 0.930 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.493 1.583 1.613 1.607 1.576 1.524 1.451 1.360 1.247 1.110 0.940 0.723 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.501 1.588 1.617 1.611 1.580 1.528 1.456 1.366 1.255 1.120 0.953 0.743 0.463 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.510 1.594 1.622 1.616 1.585 1.533 1.462 1.373 1.264 1.132 0.970 0.767 0.502 0.124 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.522 1.602 1.629 1.622 1.591 1.540 1.470 1.382 1.275 1.147 0.990 0.796 0.548 0.206 -0.379 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.531 1.608 1.634 1.627 1.596 1.545 1.476 1.390 1.284 1.158 1.005 0.818 0.581 0.261 -0.250 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.543 1.617 1.641 1.633 1.603 1.552 1.485 1.400 1.296 1.173 1.026 0.847 0.625 0.333 -0.108 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.555 1.625 1.648 1.640 1.609 1.560 1.493 1.409 1.308 1.188 1.046 0.875 0.665 0.397 0.008 -1.410 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.567 1.633 1.654 1.646 1.616 1.567 1.501 1.419 1.320 1.203 1.065 0.901 0.703 0.454 0.107 -0.634 -1.111 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.579 1.641 1.661 1.652 1.622 1.574 1.509 1.428 1.331 1.217 1.083 0.925 0.737 0.506 0.194 -0.404 -0.665 -1.040 -1.611 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.591 1.649 1.668 1.659 1.628 1.580 1.516 1.437 1.342 1.230 1.100 0.948 0.769 0.554 0.271 -0.263 -0.457 -0.701 -1.021 -1.455 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.602 1.657 1.674 1.665 1.634 1.587 1.524 1.446 1.352 1.243 1.116 0.970 0.799 0.597 0.339 -0.158 -0.319 -0.509 -0.738 -1.022 -1.381 -1.827 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.612 1.665 1.680 1.670 1.640 1.593 1.531 1.454 1.363 1.256 1.132 0.991 0.827 0.636 0.400 -0.072 -0.213 -0.373 -0.558 -0.774 -1.033 -1.344 -1.712 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.623 1.672 1.687 1.676 1.646 1.600 1.538 1.463 1.373 1.268 1.148 1.010 0.853 0.672 0.454 0.000 -0.127 -0.267 -0.425 -0.604 -0.810 -1.048 -1.324 -1.641 -1.995 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.633 1.679 1.693 1.682 1.652 1.606 1.545 1.471 1.382 1.280 1.162 1.029 0.878 0.705 0.502 0.063 -0.053 -0.180 -0.319 -0.475 -0.648 -0.844 -1.066 -1.315 -1.593 -1.898 -2.226 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.643 1.686 1.699 1.688 1.658 1.612 1.552 1.479 1.392 1.291 1.176 1.047 0.901 0.736 0.545 0.120 0.012 -0.104 -0.231 -0.369 -0.522 -0.690 -0.877 -1.083 -1.311 -1.560 -1.829 -2.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.653 1.693 1.705 1.693 1.663 1.618 1.559 1.487 1.401 1.302 1.190 1.063 0.922 0.763 0.583 0.171 0.070 -0.038 -0.154 -0.281 -0.417 -0.566 -0.729 -0.907 -1.101 -1.311 -1.537 -1.776 -2.026 -2.283 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.663 1.700 1.710 1.699 1.669 1.624 1.566 1.494 1.410 1.313 1.203 1.080 0.942 0.789 0.617 0.218 0.123 0.022 -0.087 -0.203 -0.328 -0.463 -0.609 -0.766 -0.936 -1.118 -1.313 -1.519 -1.735 -1.958 -2.185 99999.999 99999.999 99999.999 99999.999 99999.999 1.672 1.707 1.716 1.704 1.674 1.630 1.572 1.502 1.419 1.324 1.216 1.095 0.961 0.813 0.648 0.262 0.171 0.076 -0.026 -0.135 -0.250 -0.374 -0.507 -0.649 -0.800 -0.962 -1.134 -1.315 -1.505 -1.701 -1.903 -2.106 -2.310 99999.999 99999.999 99999.999 1.681 1.713 1.722 1.709 1.680 1.636 1.579 1.509 1.428 1.334 1.228 1.110 0.979 0.835 0.676 0.302 0.216 0.125 0.029 -0.073 -0.181 -0.296 -0.418 -0.548 -0.686 -0.832 -0.986 -1.149 -1.318 -1.494 -1.674 -1.857 -2.041 -2.224 99999.999 99999.999 1.690 1.720 1.727 1.714 1.685 1.641 1.585 1.516 1.436 1.344 1.240 1.124 0.996 0.856 0.701 0.340 0.258 0.171 0.080 -0.017 -0.118 -0.226 -0.340 -0.460 -0.587 -0.721 -0.861 -1.009 -1.162 -1.321 -1.484 -1.651 -1.818 -1.986 -2.152 -2.315 1.699 1.726 1.733 1.720 1.690 1.647 1.591 1.524 1.444 1.354 1.252 1.138 1.013 0.876 0.725 0.376 0.297 0.214 0.127 0.035 -0.061 -0.163 -0.269 -0.382 -0.500 -0.623 -0.753 -0.889 -1.029 -1.175 -1.324 -1.476 -1.630 -1.785 -1.939 -2.091 1.775 1.783 1.782 1.767 1.738 1.698 1.648 1.588 1.519 1.441 1.354 1.259 1.155 1.042 0.922 0.654 0.595 0.535 0.473 0.409 0.343 0.275 0.205 0.132 0.058 -0.019 -0.097 -0.178 -0.260 -0.345 -0.431 -0.519 -0.609 -0.699 -0.791 -0.883 1.834 1.829 1.824 1.808 1.781 1.743 1.697 1.643 1.582 1.513 1.438 1.355 1.266 1.171 1.070 0.849 0.801 0.753 0.703 0.653 0.601 0.548 0.493 0.438 0.381 0.323 0.264 0.204 0.142 0.079 0.015 -0.050 -0.116 -0.183 -0.251 -0.319 1.880 1.868 1.860 1.844 1.818 1.783 1.741 1.692 1.636 1.575 1.508 1.436 1.358 1.276 1.188 1.000 0.960 0.919 0.878 0.836 0.792 0.749 0.704 0.658 0.612 0.565 0.516 0.468 0.418 0.367 0.315 0.263 0.210 0.156 0.102 0.046 1.916 1.901 1.892 1.876 1.852 1.820 1.780 1.735 1.685 1.629 1.569 1.505 1.436 1.364 1.287 1.123 1.089 1.054 1.018 0.982 0.945 0.907 0.869 0.831 0.791 0.751 0.710 0.669 0.627 0.584 0.541 0.497 0.452 0.407 0.361 0.315 1.943 1.928 1.919 1.905 1.882 1.852 1.816 1.774 1.728 1.678 1.624 1.566 1.504 1.440 1.372 1.228 1.197 1.166 1.135 1.103 1.071 1.039 1.005 0.972 0.937 0.903 0.867 0.832 0.795 0.758 0.721 0.683 0.644 0.605 0.565 0.525 1.964 1.950 1.944 1.931 1.910 1.882 1.849 1.810 1.768 1.721 1.672 1.620 1.564 1.506 1.446 1.317 1.290 1.263 1.235 1.207 1.179 1.150 1.120 1.091 1.060 1.030 0.999 0.967 0.935 0.902 0.869 0.836 0.802 0.767 0.732 0.697 1.978 1.970 1.965 1.954 1.936 1.910 1.879 1.843 1.804 1.761 1.716 1.668 1.618 1.566 1.511 1.396 1.372 1.347 1.322 1.297 1.272 1.246 1.220 1.193 1.166 1.139 1.111 1.083 1.054 1.025 0.995 0.965 0.935 0.904 0.873 0.841 99999.999 1.986 1.984 1.975 1.959 1.936 1.907 1.874 1.837 1.798 1.756 1.712 1.667 1.619 1.570 1.465 1.444 1.422 1.399 1.377 1.354 1.330 1.307 1.283 1.258 1.233 1.208 1.183 1.157 1.131 1.104 1.077 1.049 1.021 0.993 0.964 hematite Fe2O3 P-T:All Wt.(g/mol) = 159.700 V(cc/mol) = 30.270 D(g/cc) = 5.276 Ref: H&P2011 5 -3.750 1 -0.250 6 2.000 2 0.250 4 2.000 11 20.442 17.994 15.902 14.102 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.442 17.994 15.902 14.102 12.536 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.443 17.995 15.903 14.103 12.536 11.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.445 17.997 15.904 14.105 12.538 11.156 9.921 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.448 18.000 15.907 14.107 12.541 11.159 9.924 8.804 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.453 18.005 15.912 14.112 12.545 11.163 9.928 8.808 7.779 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.461 18.012 15.918 14.118 12.551 11.170 9.935 8.815 7.786 6.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.472 18.022 15.928 14.127 12.560 11.179 9.944 8.825 7.797 6.836 5.915 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.487 18.036 15.941 14.140 12.572 11.191 9.957 8.839 7.812 6.852 5.935 5.035 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.507 18.054 15.958 14.156 12.589 11.208 9.974 8.857 7.832 6.875 5.962 5.069 4.175 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.533 18.078 15.981 14.178 12.610 11.229 9.996 8.880 7.857 6.903 5.996 5.112 4.230 3.355 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.566 18.108 16.009 14.205 12.637 11.256 10.024 8.910 7.889 6.939 6.039 5.166 4.299 3.427 2.629 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.591 18.132 16.031 14.226 12.658 11.277 10.045 8.932 7.913 6.966 6.071 5.206 4.352 3.490 2.589 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.627 18.164 16.062 14.256 12.687 11.306 10.075 8.964 7.947 7.005 6.116 5.262 4.426 3.585 2.661 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.661 18.196 16.092 14.285 12.715 11.335 10.105 8.995 7.981 7.042 6.159 5.316 4.497 3.679 2.777 6.373 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.695 18.228 16.122 14.314 12.743 11.363 10.133 9.025 8.013 7.078 6.201 5.368 4.564 3.769 2.905 3.774 4.802 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.728 18.258 16.151 14.342 12.771 11.390 10.161 9.054 8.045 7.112 6.241 5.417 4.628 3.855 3.033 3.163 3.472 4.082 4.956 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.760 18.288 16.180 14.369 12.798 11.417 10.189 9.083 8.076 7.146 6.280 5.464 4.688 3.936 3.154 2.910 2.989 3.209 3.604 4.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.792 18.318 16.208 14.396 12.824 11.443 10.216 9.112 8.106 7.180 6.318 5.509 4.744 4.011 3.266 2.785 2.761 2.815 2.969 3.235 3.592 3.968 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.823 18.347 16.235 14.423 12.850 11.469 10.243 9.139 8.135 7.212 6.354 5.552 4.797 4.080 3.367 2.720 2.640 2.609 2.641 2.746 2.927 3.166 3.427 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.853 18.375 16.262 14.449 12.876 11.495 10.269 9.166 8.164 7.243 6.389 5.593 4.846 4.143 3.458 2.689 2.574 2.494 2.457 2.469 2.536 2.656 2.819 3.000 3.172 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.882 18.403 16.289 14.474 12.901 11.520 10.294 9.193 8.192 7.274 6.424 5.632 4.893 4.200 3.539 2.678 2.540 2.429 2.348 2.304 2.299 2.336 2.413 2.522 2.647 2.773 2.885 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.911 18.430 16.315 14.500 12.925 11.545 10.319 9.219 8.220 7.304 6.456 5.669 4.936 4.253 3.609 2.680 2.527 2.394 2.285 2.203 2.151 2.132 2.146 2.191 2.260 2.346 2.438 2.526 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.939 18.457 16.340 14.524 12.950 11.569 10.344 9.245 8.247 7.333 6.488 5.705 4.977 4.301 3.670 2.690 2.526 2.379 2.250 2.143 2.059 2.000 1.969 1.964 1.985 2.026 2.082 2.147 2.217 2.286 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.967 18.484 16.366 14.549 12.974 11.593 10.368 9.270 8.273 7.361 6.519 5.739 5.015 4.344 3.722 2.707 2.535 2.376 2.234 2.108 2.001 1.915 1.851 1.810 1.791 1.792 1.812 1.846 1.892 1.944 2.003 99999.999 99999.999 99999.999 99999.999 99999.999 20.994 18.509 16.390 14.573 12.997 11.616 10.392 9.294 8.299 7.389 6.550 5.772 5.051 4.384 3.768 2.728 2.550 2.383 2.230 2.091 1.968 1.862 1.774 1.704 1.655 1.624 1.611 1.615 1.633 1.662 1.701 1.750 1.807 99999.999 99999.999 99999.999 21.020 18.535 16.415 14.596 13.020 11.639 10.415 9.318 8.325 7.416 6.579 5.804 5.086 4.421 3.808 2.752 2.569 2.397 2.235 2.087 1.951 1.830 1.724 1.634 1.561 1.504 1.464 1.440 1.432 1.436 1.453 1.481 1.520 1.570 99999.999 99999.999 21.046 18.560 16.439 14.619 13.043 11.662 10.438 9.342 8.350 7.443 6.608 5.835 5.118 4.455 3.844 2.778 2.592 2.414 2.247 2.091 1.946 1.814 1.694 1.588 1.496 1.420 1.358 1.311 1.278 1.259 1.254 1.261 1.279 1.310 1.352 1.407 21.072 18.584 16.462 14.642 13.065 11.684 10.461 9.365 8.374 7.469 6.636 5.865 5.150 4.489 3.878 2.806 2.617 2.436 2.264 2.102 1.950 1.809 1.678 1.560 1.454 1.361 1.282 1.216 1.163 1.123 1.097 1.083 1.081 1.092 1.114 1.149 21.298 18.808 16.679 14.853 13.272 11.889 10.668 9.579 8.598 7.705 6.888 6.134 5.437 4.790 4.189 3.110 2.912 2.720 2.534 2.352 2.176 2.005 1.838 1.677 1.521 1.370 1.223 1.082 0.946 0.815 0.690 0.570 0.456 0.347 0.245 0.148 21.484 18.999 16.867 15.037 13.453 12.069 10.849 9.763 8.789 7.906 7.101 6.361 5.678 5.045 4.457 3.397 3.202 3.012 2.826 2.645 2.468 2.296 2.127 1.962 1.801 1.643 1.488 1.337 1.188 1.043 0.901 0.761 0.625 0.491 0.360 0.231 21.637 19.165 17.033 15.200 13.614 12.228 11.009 9.926 8.956 8.080 7.284 6.555 5.884 5.264 4.688 3.651 3.460 3.274 3.092 2.914 2.741 2.571 2.406 2.243 2.084 1.928 1.775 1.625 1.477 1.332 1.189 1.049 0.910 0.773 0.639 0.505 21.765 19.310 17.180 15.347 13.758 12.372 11.153 10.071 9.104 8.234 7.446 6.725 6.064 5.454 4.889 3.874 3.687 3.505 3.327 3.154 2.984 2.819 2.657 2.498 2.343 2.191 2.042 1.895 1.751 1.609 1.469 1.332 1.196 1.062 0.930 0.799 21.872 19.438 17.313 15.479 13.890 12.503 11.284 10.203 9.239 8.373 7.589 6.876 6.223 5.623 5.067 4.071 3.888 3.710 3.536 3.366 3.201 3.039 2.881 2.726 2.575 2.427 2.281 2.138 1.998 1.860 1.724 1.591 1.459 1.329 1.201 1.074 21.963 19.553 17.434 15.601 14.011 12.624 11.404 10.324 9.362 8.499 7.719 7.012 6.366 5.772 5.225 4.246 4.067 3.892 3.721 3.555 3.393 3.235 3.081 2.930 2.782 2.637 2.495 2.356 2.220 2.086 1.954 1.824 1.696 1.570 1.445 1.322 22.040 19.657 17.544 15.713 14.123 12.735 11.515 10.436 9.475 8.614 7.838 7.135 6.494 5.907 5.367 4.403 4.227 4.055 3.887 3.724 3.566 3.411 3.259 3.112 2.967 2.826 2.687 2.551 2.418 2.287 2.159 2.032 1.908 1.785 1.664 1.545 99999.999 19.752 17.646 15.817 14.228 12.840 11.620 10.541 9.580 8.721 7.948 7.248 6.612 6.030 5.496 4.545 4.371 4.202 4.037 3.877 3.721 3.569 3.420 3.275 3.133 2.995 2.859 2.726 2.596 2.468 2.343 2.219 2.098 1.978 1.860 1.744 hematite Fe2O3 P-T:All Wt.(g/mol) = 159.700 V(cc/mol) = 30.270 D(g/cc) = 5.276 Ref: H&P2011 4 -4.000 1 0.500 31 2.000 2 2.000 11 -17.583 -16.585 -15.708 -14.926 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.583 -16.585 -15.708 -14.926 -14.227 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.582 -16.584 -15.707 -14.926 -14.226 -13.600 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.581 -16.583 -15.706 -14.925 -14.225 -13.599 -13.039 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.579 -16.582 -15.705 -14.923 -14.224 -13.597 -13.037 -12.540 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.576 -16.579 -15.702 -14.921 -14.221 -13.594 -13.035 -12.537 -12.099 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.571 -16.575 -15.698 -14.917 -14.217 -13.591 -13.031 -12.533 -12.094 -11.713 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.565 -16.569 -15.693 -14.912 -14.212 -13.585 -13.025 -12.527 -12.087 -11.704 -11.384 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.556 -16.561 -15.685 -14.905 -14.205 -13.578 -13.017 -12.518 -12.077 -11.693 -11.370 -11.113 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.495 -16.506 -15.634 -14.855 -14.156 -13.528 -12.964 -12.460 -12.013 -11.619 -11.279 -10.996 -10.770 -10.595 -10.446 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.475 -16.488 -15.617 -14.839 -14.139 -13.511 -12.946 -12.441 -11.991 -11.594 -11.249 -10.957 -10.718 -10.534 -10.441 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.455 -16.470 -15.600 -14.823 -14.123 -13.494 -12.929 -12.422 -11.970 -11.570 -11.220 -10.920 -10.669 -10.470 -10.376 -4.296 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.437 -16.453 -15.584 -14.807 -14.108 -13.478 -12.912 -12.404 -11.950 -11.547 -11.192 -10.884 -10.621 -10.406 -10.291 -7.431 -5.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.419 -16.437 -15.569 -14.792 -14.093 -13.463 -12.895 -12.386 -11.930 -11.524 -11.165 -10.850 -10.576 -10.345 -10.201 -8.199 -7.456 -6.350 -4.885 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.402 -16.421 -15.554 -14.777 -14.078 -13.448 -12.879 -12.369 -11.911 -11.503 -11.140 -10.818 -10.534 -10.287 -10.113 -8.541 -8.076 -7.445 -6.600 -5.556 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.385 -16.406 -15.539 -14.763 -14.064 -13.433 -12.864 -12.352 -11.893 -11.482 -11.115 -10.788 -10.495 -10.234 -10.031 -8.731 -8.391 -7.962 -7.415 -6.732 -5.928 -5.073 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.369 -16.391 -15.525 -14.749 -14.050 -13.419 -12.849 -12.336 -11.875 -11.461 -11.091 -10.759 -10.458 -10.185 -9.956 -8.846 -8.576 -8.251 -7.856 -7.375 -6.802 -6.150 -5.459 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.354 -16.377 -15.511 -14.735 -14.036 -13.405 -12.834 -12.320 -11.857 -11.442 -11.069 -10.732 -10.424 -10.140 -9.890 -8.919 -8.693 -8.430 -8.121 -7.756 -7.328 -6.835 -6.288 -5.710 -5.132 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.340 -16.363 -15.497 -14.722 -14.023 -13.391 -12.820 -12.305 -11.840 -11.423 -11.047 -10.706 -10.393 -10.101 -9.832 -8.967 -8.769 -8.546 -8.292 -7.999 -7.662 -7.277 -6.844 -6.372 -5.876 -5.374 -4.885 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.326 -16.349 -15.484 -14.709 -14.010 -13.378 -12.806 -12.290 -11.824 -11.404 -11.026 -10.682 -10.364 -10.065 -9.783 -8.997 -8.820 -8.624 -8.406 -8.161 -7.884 -7.572 -7.222 -6.837 -6.422 -5.987 -5.543 -5.102 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.312 -16.336 -15.472 -14.697 -13.997 -13.365 -12.793 -12.275 -11.808 -11.387 -11.006 -10.659 -10.337 -10.033 -9.742 -9.015 -8.853 -8.677 -8.485 -8.273 -8.037 -7.775 -7.484 -7.165 -6.817 -6.446 -6.058 -5.661 -5.260 -4.862 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -17.300 -16.324 -15.459 -14.685 -13.985 -13.353 -12.779 -12.261 -11.792 -11.369 -10.986 -10.637 -10.313 -10.005 -9.707 -9.025 -8.874 -8.713 -8.539 -8.351 -8.145 -7.919 -7.671 -7.400 -7.106 -6.789 -6.453 -6.102 -5.741 -5.375 -5.005 99999.999 99999.999 99999.999 99999.999 99999.999 -17.287 -16.311 -15.448 -14.673 -13.973 -13.340 -12.767 -12.247 -11.777 -11.353 -10.968 -10.616 -10.290 -9.980 -9.679 -9.028 -8.886 -8.736 -8.577 -8.406 -8.222 -8.023 -7.807 -7.572 -7.318 -7.045 -6.754 -6.446 -6.126 -5.795 -5.457 -5.113 -4.765 99999.999 99999.999 99999.999 -17.276 -16.300 -15.436 -14.661 -13.962 -13.328 -12.754 -12.234 -11.762 -11.336 -10.950 -10.596 -10.268 -9.957 -9.655 -9.027 -8.892 -8.750 -8.602 -8.445 -8.278 -8.099 -7.906 -7.699 -7.477 -7.238 -6.983 -6.714 -6.430 -6.134 -5.829 -5.515 -5.194 -4.866 99999.999 99999.999 -17.264 -16.288 -15.425 -14.650 -13.951 -13.317 -12.742 -12.220 -11.748 -11.320 -10.932 -10.577 -10.248 -9.937 -9.635 -9.022 -8.892 -8.758 -8.618 -8.472 -8.317 -8.154 -7.980 -7.794 -7.596 -7.385 -7.160 -6.921 -6.669 -6.406 -6.131 -5.847 -5.554 -5.254 -4.946 -4.630 -17.254 -16.277 -15.414 -14.639 -13.940 -13.306 -12.730 -12.208 -11.734 -11.305 -10.915 -10.558 -10.228 -9.917 -9.616 -9.014 -8.889 -8.760 -8.627 -8.489 -8.345 -8.193 -8.034 -7.865 -7.686 -7.496 -7.295 -7.083 -6.858 -6.623 -6.376 -6.120 -5.854 -5.580 -5.298 -5.008 -17.171 -16.186 -15.321 -14.545 -13.844 -13.207 -12.626 -12.095 -11.611 -11.169 -10.765 -10.395 -10.053 -9.734 -9.434 -8.872 -8.764 -8.657 -8.551 -8.445 -8.340 -8.235 -8.130 -8.025 -7.920 -7.813 -7.706 -7.598 -7.488 -7.377 -7.264 -7.149 -7.031 -6.911 -6.789 -6.663 -17.127 -16.124 -15.252 -14.473 -13.769 -13.129 -12.543 -12.007 -11.514 -11.062 -10.646 -10.264 -9.910 -9.581 -9.273 -8.707 -8.600 -8.496 -8.394 -8.293 -8.194 -8.097 -8.001 -7.907 -7.814 -7.723 -7.633 -7.544 -7.457 -7.370 -7.285 -7.200 -7.117 -7.034 -6.952 -6.871 -17.112 -16.084 -15.203 -14.418 -13.711 -13.066 -12.477 -11.935 -11.436 -10.975 -10.550 -10.157 -9.792 -9.452 -9.135 -8.555 -8.447 -8.341 -8.238 -8.136 -8.037 -7.940 -7.844 -7.751 -7.660 -7.571 -7.484 -7.398 -7.315 -7.233 -7.154 -7.076 -7.000 -6.925 -6.853 -6.782 -17.121 -16.062 -15.168 -14.377 -13.665 -13.017 -12.423 -11.877 -11.372 -10.904 -10.471 -10.069 -9.694 -9.345 -9.019 -8.422 -8.311 -8.203 -8.097 -7.993 -7.891 -7.792 -7.695 -7.600 -7.507 -7.417 -7.328 -7.242 -7.158 -7.076 -6.996 -6.918 -6.842 -6.768 -6.697 -6.627 -17.148 -16.055 -15.146 -14.348 -13.630 -12.978 -12.380 -11.829 -11.319 -10.846 -10.406 -9.996 -9.613 -9.255 -8.920 -8.307 -8.193 -8.082 -7.973 -7.866 -7.762 -7.660 -7.560 -7.463 -7.367 -7.274 -7.184 -7.095 -7.009 -6.924 -6.842 -6.762 -6.685 -6.609 -6.536 -6.464 -17.192 -16.059 -15.135 -14.327 -13.604 -12.947 -12.345 -11.790 -11.275 -10.797 -10.351 -9.934 -9.544 -9.179 -8.836 -8.208 -8.091 -7.976 -7.864 -7.755 -7.648 -7.543 -7.441 -7.340 -7.243 -7.147 -7.054 -6.962 -6.873 -6.787 -6.702 -6.619 -6.539 -6.461 -6.385 -6.311 -17.248 -16.073 -15.131 -14.314 -13.584 -12.923 -12.317 -11.757 -11.239 -10.756 -10.305 -9.883 -9.486 -9.114 -8.764 -8.122 -8.002 -7.885 -7.770 -7.658 -7.548 -7.441 -7.336 -7.233 -7.132 -7.034 -6.938 -6.844 -6.753 -6.663 -6.576 -6.491 -6.408 -6.327 -6.248 -6.172 99999.999 -16.094 -15.135 -14.308 -13.571 -12.904 -12.294 -11.731 -11.209 -10.722 -10.266 -9.839 -9.437 -9.059 -8.702 -8.047 -7.925 -7.805 -7.688 -7.573 -7.461 -7.351 -7.243 -7.138 -7.035 -6.935 -6.836 -6.740 -6.646 -6.554 -6.464 -6.377 -6.291 -6.208 -6.127 -6.048 heulandite CaAl2Si7O24H12 P-T:All Wt.(g/mol) = 686.720 V(cc/mol) = 317.000 D(g/cc) = 2.166 Ref: H&P2011 5 1.000 9 2.000 8 7.000 7 -4.000 2 -8.000 1 0.785 -1.000 -2.834 -4.493 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.785 -1.000 -2.834 -4.493 -5.950 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.787 -0.997 -2.831 -4.490 -5.947 -7.228 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.792 -0.991 -2.825 -4.483 -5.941 -7.221 -8.361 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.799 -0.982 -2.815 -4.473 -5.930 -7.211 -8.350 -9.383 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.811 -0.967 -2.798 -4.456 -5.914 -7.193 -8.332 -9.365 -10.324 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.829 -0.944 -2.774 -4.432 -5.889 -7.168 -8.306 -9.338 -10.295 -11.214 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.854 -0.912 -2.740 -4.397 -5.853 -7.132 -8.269 -9.299 -10.254 -11.170 -12.089 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.887 -0.869 -2.694 -4.349 -5.804 -7.082 -8.218 -9.246 -10.198 -11.109 -12.020 -12.979 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.930 -0.812 -2.633 -4.286 -5.741 -7.017 -8.151 -9.176 -10.124 -11.028 -11.929 -12.872 -13.882 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.984 -0.740 -2.555 -4.206 -5.659 -6.934 -8.065 -9.086 -10.029 -10.925 -11.813 -12.734 -13.720 -14.729 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.049 -0.652 -2.458 -4.106 -5.557 -6.829 -7.957 -8.973 -9.909 -10.796 -11.667 -12.562 -13.512 -14.527 -15.323 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.096 -0.586 -2.386 -4.030 -5.479 -6.750 -7.875 -8.888 -9.819 -10.698 -11.557 -12.432 -13.354 -14.350 -15.441 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.158 -0.495 -2.285 -3.926 -5.372 -6.640 -7.762 -8.770 -9.693 -10.562 -11.404 -12.252 -13.133 -14.085 -15.261 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.214 -0.410 -2.190 -3.826 -5.269 -6.534 -7.652 -8.655 -9.572 -10.431 -11.258 -12.079 -12.922 -13.822 -14.959 -3.033 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.264 -0.330 -2.099 -3.730 -5.170 -6.432 -7.547 -8.545 -9.455 -10.304 -11.116 -11.914 -12.719 -13.566 -14.623 -10.300 -7.011 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.309 -0.255 -2.013 -3.638 -5.075 -6.334 -7.445 -8.438 -9.342 -10.182 -10.980 -11.756 -12.527 -13.322 -14.287 -11.932 -10.678 -8.565 -5.579 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.348 -0.184 -1.930 -3.550 -4.984 -6.240 -7.346 -8.335 -9.233 -10.064 -10.850 -11.606 -12.346 -13.092 -13.964 -12.587 -11.967 -10.961 -9.450 -7.457 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.382 -0.118 -1.852 -3.466 -4.896 -6.149 -7.252 -8.235 -9.127 -9.951 -10.724 -11.462 -12.174 -12.877 -13.663 -12.899 -12.561 -12.014 -11.191 -10.045 -8.607 -7.035 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.411 -0.057 -1.778 -3.386 -4.812 -6.061 -7.160 -8.139 -9.025 -9.841 -10.603 -11.325 -12.012 -12.677 -13.386 -13.048 -12.863 -12.549 -12.068 -11.385 -10.484 -9.391 -8.194 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.436 0.001 -1.708 -3.309 -4.731 -5.977 -7.072 -8.047 -8.927 -9.735 -10.487 -11.194 -11.860 -12.492 -13.136 -13.108 -13.016 -12.837 -12.548 -12.127 -11.554 -10.826 -9.965 -9.022 -8.068 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.455 0.054 -1.641 -3.236 -4.654 -5.896 -6.987 -7.957 -8.832 -9.633 -10.375 -11.069 -11.717 -12.321 -12.912 -13.115 -13.084 -12.990 -12.820 -12.557 -12.188 -11.703 -11.104 -10.406 -9.642 -8.853 -8.078 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.470 0.103 -1.578 -3.166 -4.579 -5.818 -6.906 -7.871 -8.740 -9.534 -10.268 -10.950 -11.582 -12.165 -12.713 -13.088 -13.099 -13.063 -12.970 -12.810 -12.572 -12.249 -11.835 -11.333 -10.755 -10.122 -9.457 -8.784 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.480 0.148 -1.519 -3.100 -4.508 -5.743 -6.827 -7.787 -8.651 -9.438 -10.164 -10.836 -11.455 -12.021 -12.538 -13.039 -13.080 -13.083 -13.044 -12.954 -12.806 -12.593 -12.309 -11.952 -11.526 -11.039 -10.502 -9.932 -9.343 -8.743 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.485 0.190 -1.463 -3.036 -4.440 -5.671 -6.751 -7.707 -8.565 -9.346 -10.065 -10.727 -11.336 -11.888 -12.383 -12.974 -13.037 -13.070 -13.069 -13.028 -12.943 -12.807 -12.616 -12.366 -12.057 -11.690 -11.272 -10.811 -10.315 -9.792 -9.250 99999.999 99999.999 99999.999 99999.999 99999.999 1.487 0.228 -1.410 -2.976 -4.375 -5.602 -6.677 -7.629 -8.482 -9.257 -9.968 -10.623 -11.223 -11.765 -12.246 -12.899 -12.978 -13.033 -13.060 -13.055 -13.015 -12.935 -12.811 -12.640 -12.420 -12.149 -11.830 -11.467 -11.064 -10.627 -10.160 -9.667 -9.149 99999.999 99999.999 99999.999 1.484 0.262 -1.361 -2.918 -4.312 -5.535 -6.607 -7.554 -8.402 -9.171 -9.876 -10.523 -11.116 -11.651 -12.124 -12.817 -12.908 -12.979 -13.027 -13.049 -13.043 -13.004 -12.931 -12.818 -12.665 -12.469 -12.231 -11.951 -11.632 -11.275 -10.886 -10.465 -10.016 -9.537 99999.999 99999.999 1.478 0.293 -1.314 -2.864 -4.253 -5.471 -6.539 -7.482 -8.324 -9.088 -9.786 -10.427 -11.014 -11.544 -12.012 -12.729 -12.830 -12.913 -12.978 -13.020 -13.039 -13.032 -12.996 -12.928 -12.827 -12.689 -12.515 -12.303 -12.055 -11.771 -11.454 -11.103 -10.722 -10.311 -9.869 -9.396 1.467 0.320 -1.271 -2.812 -4.196 -5.410 -6.474 -7.412 -8.250 -9.007 -9.699 -10.334 -10.915 -11.441 -11.907 -12.638 -12.747 -12.840 -12.916 -12.975 -13.013 -13.030 -13.022 -12.989 -12.927 -12.835 -12.712 -12.556 -12.367 -12.146 -11.891 -11.605 -11.289 -10.942 -10.564 -10.157 1.167 0.427 -0.990 -2.437 -3.759 -4.926 -5.946 -6.840 -7.629 -8.333 -8.967 -9.544 -10.069 -10.546 -10.978 -11.713 -11.840 -11.961 -12.076 -12.184 -12.287 -12.383 -12.472 -12.555 -12.631 -12.700 -12.762 -12.815 -12.860 -12.897 -12.924 -12.941 -12.948 -12.944 -12.930 -12.904 0.568 0.276 -0.942 -2.278 -3.526 -4.637 -5.610 -6.458 -7.200 -7.855 -8.438 -8.961 -9.433 -9.860 -10.245 -10.908 -11.026 -11.138 -11.247 -11.352 -11.452 -11.549 -11.643 -11.734 -11.821 -11.906 -11.988 -12.067 -12.144 -12.218 -12.289 -12.358 -12.424 -12.487 -12.548 -12.606 -0.268 -0.082 -1.081 -2.291 -3.455 -4.504 -5.425 -6.226 -6.922 -7.530 -8.065 -8.539 -8.961 -9.339 -9.679 -10.257 -10.359 -10.457 -10.552 -10.643 -10.731 -10.816 -10.899 -10.979 -11.058 -11.134 -11.209 -11.283 -11.355 -11.426 -11.497 -11.567 -11.636 -11.705 -11.774 -11.842 -1.296 -0.607 -1.372 -2.445 -3.518 -4.498 -5.362 -6.114 -6.765 -7.328 -7.817 -8.245 -8.621 -8.953 -9.247 -9.741 -9.827 -9.910 -9.989 -10.065 -10.138 -10.208 -10.277 -10.343 -10.408 -10.471 -10.532 -10.593 -10.653 -10.713 -10.772 -10.831 -10.890 -10.949 -11.008 -11.068 -2.484 -1.272 -1.790 -2.717 -3.690 -4.597 -5.402 -6.103 -6.707 -7.226 -7.672 -8.055 -8.388 -8.676 -8.928 -9.340 -9.410 -9.477 -9.541 -9.602 -9.660 -9.716 -9.769 -9.821 -9.871 -9.920 -9.967 -10.014 -10.060 -10.105 -10.151 -10.196 -10.241 -10.287 -10.333 -10.380 -3.805 -2.054 -2.315 -3.088 -3.957 -4.785 -5.528 -6.176 -6.733 -7.207 -7.611 -7.953 -8.243 -8.491 -8.702 -9.036 -9.091 -9.143 -9.192 -9.238 -9.282 -9.323 -9.362 -9.400 -9.436 -9.471 -9.504 -9.537 -9.569 -9.601 -9.633 -9.664 -9.696 -9.728 -9.760 -9.794 -5.240 -2.937 -2.932 -3.545 -4.304 -5.050 -5.727 -6.320 -6.829 -7.260 -7.621 -7.923 -8.173 -8.382 -8.554 -8.814 -8.855 -8.892 -8.927 -8.959 -8.989 -9.017 -9.043 -9.067 -9.090 -9.111 -9.132 -9.151 -9.170 -9.189 -9.207 -9.226 -9.245 -9.264 -9.283 -9.303 99999.999 -3.905 -3.628 -4.076 -4.720 -5.381 -5.991 -6.527 -6.987 -7.373 -7.693 -7.955 -8.168 -8.338 -8.474 -8.663 -8.690 -8.714 -8.735 -8.754 -8.771 -8.786 -8.799 -8.810 -8.820 -8.829 -8.837 -8.845 -8.851 -8.858 -8.864 -8.870 -8.877 -8.884 -8.892 -8.900 hercynite FeAl2O4 P-T:All Wt.(g/mol) = 173.810 V(cc/mol) = 40.750 D(g/cc) = 4.265 Ref: H&P2011 4 1.000 11 2.000 8 4.000 2 -8.000 1 34.899 29.422 24.746 20.721 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.899 29.422 24.746 20.721 17.213 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.901 29.424 24.748 20.723 17.215 14.117 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.905 29.427 24.751 20.726 17.218 14.121 11.348 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.911 29.433 24.757 20.732 17.224 14.126 11.354 8.839 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.921 29.443 24.766 20.741 17.233 14.135 11.363 8.849 6.539 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.935 29.457 24.780 20.754 17.246 14.149 11.377 8.864 6.555 4.401 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.955 29.477 24.799 20.773 17.265 14.168 11.397 8.885 6.578 4.427 2.381 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.984 29.504 24.826 20.799 17.291 14.195 11.425 8.914 6.610 4.463 2.423 0.442 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.021 29.541 24.862 20.834 17.326 14.230 11.461 8.953 6.652 4.510 2.478 0.510 -1.409 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.069 29.588 24.908 20.879 17.371 14.275 11.508 9.003 6.706 4.570 2.549 0.597 -1.308 -3.082 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.130 29.648 24.966 20.937 17.428 14.333 11.568 9.066 6.774 4.647 2.638 0.708 -1.173 -2.985 -4.291 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.176 29.694 25.011 20.981 17.472 14.377 11.614 9.115 6.827 4.705 2.706 0.792 -1.068 -2.879 -4.581 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.242 29.759 25.075 21.043 17.533 14.440 11.678 9.183 6.900 4.786 2.801 0.909 -0.919 -2.707 -4.566 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.305 29.823 25.137 21.104 17.594 14.501 11.742 9.249 6.971 4.865 2.893 1.022 -0.774 -2.525 -4.387 8.502 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.368 29.885 25.198 21.164 17.653 14.561 11.804 9.314 7.041 4.942 2.982 1.131 -0.635 -2.345 -4.153 -0.286 3.474 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.428 29.946 25.258 21.223 17.712 14.620 11.864 9.378 7.110 5.017 3.068 1.235 -0.502 -2.170 -3.906 -2.380 -1.059 1.314 4.802 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.488 30.006 25.316 21.281 17.769 14.678 11.924 9.441 7.176 5.090 3.151 1.335 -0.377 -2.005 -3.663 -3.304 -2.749 -1.716 -0.053 2.233 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.546 30.065 25.374 21.337 17.826 14.735 11.982 9.502 7.242 5.162 3.232 1.430 -0.259 -1.850 -3.434 -3.807 -3.600 -3.126 -2.306 -1.075 0.541 2.370 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.602 30.122 25.431 21.393 17.881 14.791 12.039 9.562 7.305 5.231 3.309 1.521 -0.148 -1.708 -3.225 -4.109 -4.092 -3.907 -3.508 -2.850 -1.909 -0.711 0.648 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.658 30.179 25.487 21.448 17.935 14.845 12.096 9.620 7.368 5.299 3.385 1.607 -0.044 -1.577 -3.038 -4.296 -4.398 -4.383 -4.223 -3.890 -3.360 -2.626 -1.709 -0.669 0.414 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.712 30.234 25.542 21.502 17.989 14.899 12.151 9.678 7.429 5.365 3.458 1.690 0.053 -1.458 -2.873 -4.413 -4.594 -4.688 -4.678 -4.545 -4.271 -3.844 -3.263 -2.546 -1.730 -0.864 0.005 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.765 30.289 25.596 21.555 18.042 14.952 12.205 9.735 7.489 5.429 3.528 1.769 0.144 -1.350 -2.730 -4.484 -4.720 -4.889 -4.979 -4.977 -4.871 -4.648 -4.304 -3.841 -3.271 -2.619 -1.915 -1.189 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.816 30.342 25.649 21.607 18.094 15.005 12.259 9.790 7.548 5.492 3.597 1.845 0.229 -1.253 -2.608 -4.521 -4.799 -5.022 -5.182 -5.271 -5.279 -5.198 -5.021 -4.744 -4.372 -3.915 -3.386 -2.807 -2.195 -1.565 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.867 30.395 25.701 21.659 18.145 15.056 12.311 9.845 7.605 5.554 3.664 1.918 0.309 -1.165 -2.504 -4.536 -4.845 -5.107 -5.319 -5.474 -5.564 -5.583 -5.525 -5.387 -5.167 -4.867 -4.496 -4.064 -3.582 -3.062 -2.514 99999.999 99999.999 99999.999 99999.999 99999.999 35.916 30.447 25.752 21.710 18.195 15.106 12.363 9.898 7.662 5.615 3.729 1.988 0.384 -1.085 -2.416 -4.534 -4.866 -5.160 -5.410 -5.613 -5.764 -5.857 -5.887 -5.851 -5.746 -5.572 -5.332 -5.029 -4.672 -4.268 -3.824 -3.346 -2.838 99999.999 99999.999 99999.999 35.965 30.497 25.803 21.759 18.244 15.156 12.413 9.951 7.717 5.674 3.792 2.055 0.455 -1.011 -2.340 -4.519 -4.870 -5.187 -5.467 -5.708 -5.904 -6.052 -6.149 -6.191 -6.174 -6.098 -5.963 -5.770 -5.523 -5.227 -4.885 -4.504 -4.087 -3.636 99999.999 99999.999 36.012 30.547 25.852 21.809 18.293 15.205 12.463 10.003 7.772 5.732 3.854 2.121 0.523 -0.942 -2.272 -4.494 -4.860 -5.196 -5.500 -5.769 -6.001 -6.192 -6.340 -6.441 -6.493 -6.494 -6.443 -6.340 -6.187 -5.985 -5.739 -5.450 -5.122 -4.757 -4.357 -3.922 36.058 30.596 25.901 21.857 18.341 15.253 12.512 10.054 7.825 5.788 3.914 2.185 0.590 -0.875 -2.209 -4.462 -4.840 -5.191 -5.514 -5.806 -6.065 -6.290 -6.477 -6.625 -6.731 -6.793 -6.809 -6.780 -6.705 -6.585 -6.421 -6.216 -5.971 -5.689 -5.371 -5.018 36.471 31.045 26.353 22.306 18.787 15.700 12.966 10.521 8.315 6.306 4.464 2.766 1.198 -0.253 -1.592 -3.960 -4.386 -4.798 -5.195 -5.577 -5.944 -6.297 -6.635 -6.959 -7.268 -7.562 -7.841 -8.104 -8.352 -8.584 -8.799 -8.998 -9.179 -9.344 -9.492 -9.623 36.806 31.430 26.749 22.701 19.180 16.094 13.364 10.928 8.737 6.749 4.932 3.262 1.720 0.293 -1.030 -3.395 -3.828 -4.248 -4.656 -5.053 -5.439 -5.814 -6.179 -6.534 -6.879 -7.215 -7.542 -7.859 -8.169 -8.470 -8.762 -9.047 -9.324 -9.593 -9.855 -10.109 37.080 31.765 27.099 23.053 19.533 16.446 13.719 11.290 9.109 7.137 5.340 3.693 2.174 0.770 -0.532 -2.868 -3.297 -3.715 -4.121 -4.517 -4.903 -5.280 -5.648 -6.007 -6.357 -6.700 -7.036 -7.364 -7.686 -8.001 -8.311 -8.615 -8.913 -9.206 -9.495 -9.779 37.305 32.060 27.413 23.372 19.852 16.766 14.041 11.616 9.443 7.483 5.701 4.072 2.574 1.191 -0.090 -2.391 -2.814 -3.226 -3.627 -4.018 -4.399 -4.772 -5.136 -5.491 -5.839 -6.180 -6.513 -6.840 -7.161 -7.477 -7.786 -8.091 -8.392 -8.688 -8.979 -9.268 37.492 32.322 27.698 23.664 20.145 17.060 14.336 11.914 9.747 7.795 6.026 4.412 2.931 1.566 0.303 -1.962 -2.378 -2.783 -3.178 -3.563 -3.939 -4.305 -4.663 -5.013 -5.356 -5.691 -6.020 -6.342 -6.658 -6.969 -7.274 -7.575 -7.871 -8.162 -8.450 -8.735 37.648 32.558 27.958 23.933 20.417 17.332 14.609 12.189 10.027 8.081 6.321 4.719 3.252 1.903 0.657 -1.575 -1.985 -2.384 -2.772 -3.151 -3.521 -3.881 -4.233 -4.577 -4.914 -5.243 -5.566 -5.882 -6.192 -6.497 -6.797 -7.091 -7.381 -7.667 -7.949 -8.228 37.778 32.774 28.199 24.182 20.669 17.586 14.863 12.446 10.286 8.346 6.592 4.999 3.544 2.209 0.977 -1.225 -1.629 -2.022 -2.405 -2.778 -3.141 -3.496 -3.842 -4.180 -4.511 -4.835 -5.151 -5.462 -5.766 -6.065 -6.359 -6.648 -6.932 -7.212 -7.488 -7.760 99999.999 32.972 28.423 24.415 20.907 17.824 15.103 12.686 10.529 8.592 6.844 5.259 3.813 2.488 1.268 -0.907 -1.305 -1.693 -2.070 -2.438 -2.796 -3.145 -3.486 -3.819 -4.144 -4.463 -4.774 -5.079 -5.378 -5.672 -5.960 -6.243 -6.522 -6.796 -7.066 -7.333 hollandite KAlSi3O8 P-T:All Wt.(g/mol) = 278.327 V(cc/mol) = 71.280 D(g/cc) = 3.905 Ref: H&P2011 5 1.000 12 1.000 8 3.000 7 -4.000 2 -4.000 1 37.254 33.796 30.708 28.007 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.254 33.796 30.708 28.007 25.643 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.254 33.797 30.709 28.007 25.643 23.561 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.255 33.798 30.710 28.009 25.645 23.562 21.710 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.255 33.799 30.712 28.011 25.648 23.565 21.713 20.047 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.256 33.802 30.715 28.015 25.652 23.570 21.718 20.053 18.539 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.257 33.806 30.720 28.021 25.658 23.577 21.725 20.061 18.549 17.154 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.259 33.811 30.727 28.028 25.667 23.586 21.736 20.073 18.562 17.169 15.861 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.261 33.818 30.736 28.039 25.678 23.599 21.750 20.089 18.580 17.190 15.886 14.637 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.262 33.826 30.748 28.053 25.694 23.616 21.769 20.110 18.603 17.217 15.919 14.678 13.471 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.263 33.836 30.762 28.070 25.713 23.637 21.792 20.136 18.633 17.252 15.961 14.730 13.535 12.386 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.262 33.848 30.779 28.090 25.736 23.663 21.821 20.169 18.670 17.295 16.012 14.794 13.617 12.467 11.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.259 33.855 30.791 28.104 25.753 23.682 21.843 20.193 18.698 17.327 16.051 14.843 13.679 12.539 11.406 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.253 33.863 30.806 28.124 25.775 23.708 21.872 20.226 18.736 17.371 16.104 14.909 13.765 12.646 11.478 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.244 33.869 30.819 28.141 25.796 23.732 21.899 20.258 18.772 17.413 16.154 14.972 13.847 12.752 11.603 15.705 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.233 33.873 30.830 28.156 25.815 23.754 21.925 20.287 18.806 17.452 16.202 15.032 13.924 12.855 11.743 12.475 13.715 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.219 33.874 30.839 28.170 25.832 23.774 21.949 20.315 18.838 17.490 16.247 15.089 13.997 12.952 11.882 11.750 12.087 12.812 13.933 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.202 33.874 30.845 28.181 25.847 23.793 21.971 20.341 18.868 17.526 16.290 15.142 14.066 13.043 12.016 11.456 11.514 11.749 12.212 12.896 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.183 33.871 30.850 28.191 25.861 23.810 21.992 20.365 18.897 17.559 16.330 15.192 14.129 13.128 12.139 11.314 11.248 11.280 11.439 11.747 12.190 12.698 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.161 33.866 30.854 28.200 25.873 23.825 22.011 20.388 18.924 17.591 16.369 15.239 14.189 13.205 12.252 11.243 11.111 11.041 11.049 11.152 11.356 11.651 11.997 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.137 33.859 30.855 28.206 25.884 23.840 22.028 20.409 18.949 17.622 16.405 15.283 14.243 13.276 12.353 11.211 11.038 10.909 10.834 10.822 10.881 11.014 11.211 11.449 11.697 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.111 33.851 30.855 28.211 25.893 23.852 22.044 20.429 18.973 17.650 16.439 15.324 14.294 13.340 12.442 11.202 11.003 10.837 10.710 10.629 10.599 10.625 10.706 10.836 10.999 11.177 11.355 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.083 33.840 30.853 28.215 25.900 23.863 22.059 20.447 18.996 17.677 16.471 15.363 14.341 13.398 12.520 11.207 10.991 10.801 10.640 10.514 10.427 10.382 10.382 10.425 10.505 10.615 10.743 10.878 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.053 33.828 30.849 28.217 25.906 23.873 22.072 20.465 19.017 17.703 16.502 15.399 14.384 13.450 12.587 11.222 10.994 10.786 10.603 10.447 10.321 10.228 10.171 10.150 10.164 10.209 10.280 10.370 10.472 10.583 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.020 33.814 30.844 28.217 25.911 23.882 22.084 20.480 19.036 17.726 16.530 15.433 14.424 13.497 12.646 11.244 11.006 10.786 10.587 10.409 10.257 10.130 10.033 9.966 9.929 9.921 9.940 9.982 10.043 10.119 10.208 99999.999 99999.999 99999.999 99999.999 99999.999 36.986 33.798 30.838 28.216 25.915 23.889 22.095 20.495 19.055 17.749 16.557 15.465 14.461 13.540 12.696 11.270 11.025 10.797 10.585 10.393 10.221 10.070 9.944 9.843 9.767 9.717 9.693 9.692 9.712 9.751 9.806 9.877 9.962 99999.999 99999.999 99999.999 36.950 33.781 30.829 28.214 25.917 23.895 22.105 20.508 19.072 17.770 16.583 15.495 14.496 13.579 12.739 11.299 11.049 10.814 10.594 10.390 10.204 10.036 9.888 9.761 9.657 9.575 9.515 9.478 9.462 9.465 9.487 9.525 9.580 9.650 99999.999 99999.999 36.911 33.762 30.820 28.210 25.918 23.899 22.113 20.520 19.087 17.790 16.607 15.523 14.528 13.615 12.778 11.330 11.077 10.837 10.610 10.398 10.201 10.020 9.856 9.710 9.583 9.476 9.389 9.322 9.274 9.246 9.237 9.244 9.269 9.310 9.368 9.442 36.871 33.741 30.809 28.205 25.917 23.903 22.120 20.531 19.102 17.808 16.629 15.550 14.559 13.648 12.814 11.362 11.106 10.862 10.631 10.412 10.207 10.016 9.840 9.680 9.536 9.409 9.300 9.209 9.136 9.081 9.044 9.024 9.020 9.033 9.063 9.108 36.380 33.457 30.629 28.092 25.852 23.879 22.133 20.580 19.189 17.933 16.793 15.751 14.797 13.920 13.113 11.683 11.423 11.172 10.928 10.692 10.464 10.243 10.029 9.822 9.622 9.430 9.244 9.066 8.894 8.730 8.573 8.424 8.282 8.148 8.022 7.904 35.748 33.054 30.341 27.878 25.694 23.765 22.058 20.542 19.186 17.966 16.861 15.856 14.936 14.093 13.317 11.938 11.687 11.443 11.206 10.976 10.752 10.534 10.322 10.116 9.915 9.719 9.529 9.343 9.161 8.984 8.812 8.644 8.480 8.320 8.164 8.012 35.003 32.554 29.967 27.585 25.460 23.579 21.913 20.433 19.113 17.927 16.856 15.885 14.998 14.186 13.441 12.118 11.877 11.643 11.416 11.195 10.980 10.771 10.568 10.369 10.176 9.987 9.802 9.622 9.445 9.273 9.104 8.938 8.776 8.617 8.460 8.307 34.168 31.974 29.521 27.225 25.163 23.333 21.710 20.269 18.983 17.830 16.793 15.853 14.998 14.216 13.500 12.232 12.002 11.778 11.561 11.350 11.145 10.946 10.751 10.562 10.378 10.198 10.022 9.850 9.682 9.517 9.356 9.198 9.043 8.890 8.741 8.593 33.257 31.329 29.015 26.810 24.815 23.038 21.459 20.057 18.806 17.687 16.680 15.771 14.946 14.194 13.506 12.291 12.071 11.857 11.650 11.449 11.253 11.063 10.878 10.698 10.523 10.352 10.185 10.022 9.863 9.707 9.554 9.405 9.258 9.114 8.972 8.833 32.283 30.629 28.459 26.348 24.423 22.700 21.168 19.805 18.590 17.503 16.528 15.649 14.852 14.128 13.467 12.303 12.093 11.889 11.691 11.499 11.313 11.132 10.956 10.785 10.618 10.456 10.298 10.144 9.993 9.845 9.701 9.560 9.422 9.286 9.153 9.022 31.254 29.880 27.859 25.846 23.992 22.327 20.841 19.518 18.340 17.286 16.341 15.491 14.722 14.025 13.390 12.275 12.074 11.879 11.691 11.508 11.330 11.158 10.991 10.828 10.670 10.516 10.366 10.220 10.078 9.938 9.802 9.669 9.539 9.411 9.286 9.162 99999.999 29.090 27.221 25.308 23.529 21.921 20.484 19.203 18.060 17.039 16.125 15.303 14.562 13.890 13.280 12.213 12.021 11.835 11.655 11.481 11.312 11.148 10.989 10.835 10.685 10.539 10.397 10.258 10.123 9.992 9.863 9.737 9.614 9.494 9.376 9.260 ilmenite FeTiO3 P-T:All Wt.(g/mol) = 151.722 V(cc/mol) = 31.690 D(g/cc) = 4.788 Ref: H&P2011 4 1.000 11 1.000 34 -1.000 2 -2.000 1 3.683 2.225 0.989 -0.067 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.683 2.225 0.989 -0.067 -0.980 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.684 2.226 0.990 -0.066 -0.979 -1.778 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.686 2.227 0.991 -0.065 -0.978 -1.777 -2.487 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.688 2.229 0.993 -0.063 -0.976 -1.775 -2.485 -3.122 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.693 2.233 0.996 -0.060 -0.973 -1.772 -2.482 -3.119 -3.700 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.699 2.239 1.001 -0.055 -0.969 -1.768 -2.477 -3.115 -3.695 -4.232 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.709 2.247 1.008 -0.049 -0.962 -1.762 -2.471 -3.108 -3.688 -4.224 -4.731 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.722 2.257 1.018 -0.040 -0.953 -1.753 -2.462 -3.099 -3.678 -4.214 -4.719 -5.207 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.739 2.272 1.031 -0.027 -0.942 -1.741 -2.450 -3.086 -3.665 -4.200 -4.703 -5.188 -5.663 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.762 2.291 1.048 -0.012 -0.926 -1.726 -2.435 -3.071 -3.648 -4.181 -4.682 -5.163 -5.633 -6.089 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.791 2.315 1.070 0.009 -0.907 -1.707 -2.415 -3.050 -3.627 -4.158 -4.655 -5.131 -5.594 -6.051 -6.448 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.813 2.334 1.087 0.025 -0.892 -1.692 -2.400 -3.035 -3.610 -4.140 -4.635 -5.106 -5.564 -6.017 -6.472 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.845 2.360 1.111 0.047 -0.870 -1.671 -2.379 -3.012 -3.587 -4.114 -4.606 -5.072 -5.522 -5.966 -6.437 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.876 2.387 1.135 0.069 -0.849 -1.650 -2.357 -2.991 -3.564 -4.090 -4.578 -5.039 -5.481 -5.915 -6.378 -4.553 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.907 2.413 1.158 0.091 -0.827 -1.629 -2.336 -2.969 -3.541 -4.065 -4.551 -5.007 -5.442 -5.865 -6.312 -5.908 -5.372 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.938 2.439 1.182 0.113 -0.806 -1.608 -2.315 -2.947 -3.519 -4.041 -4.524 -4.976 -5.404 -5.817 -6.245 -6.219 -6.061 -5.743 -5.274 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.968 2.465 1.205 0.135 -0.785 -1.587 -2.295 -2.926 -3.497 -4.018 -4.498 -4.947 -5.368 -5.771 -6.181 -6.344 -6.306 -6.193 -5.986 -5.695 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.998 2.490 1.228 0.157 -0.764 -1.567 -2.274 -2.905 -3.475 -3.994 -4.473 -4.918 -5.334 -5.728 -6.121 -6.403 -6.418 -6.392 -6.313 -6.173 -5.981 -5.773 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.027 2.515 1.251 0.178 -0.744 -1.547 -2.254 -2.885 -3.453 -3.972 -4.448 -4.890 -5.301 -5.688 -6.066 -6.431 -6.475 -6.493 -6.478 -6.423 -6.328 -6.198 -6.053 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.056 2.540 1.274 0.200 -0.723 -1.526 -2.234 -2.864 -3.432 -3.949 -4.424 -4.863 -5.270 -5.651 -6.015 -6.441 -6.503 -6.546 -6.567 -6.562 -6.527 -6.462 -6.374 -6.273 -6.173 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.085 2.565 1.296 0.221 -0.703 -1.506 -2.214 -2.844 -3.411 -3.927 -4.400 -4.836 -5.240 -5.615 -5.970 -6.440 -6.514 -6.574 -6.617 -6.642 -6.644 -6.624 -6.582 -6.523 -6.452 -6.378 -6.310 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.114 2.590 1.319 0.242 -0.683 -1.487 -2.194 -2.824 -3.390 -3.905 -4.377 -4.811 -5.212 -5.583 -5.929 -6.433 -6.515 -6.585 -6.644 -6.687 -6.715 -6.725 -6.717 -6.692 -6.652 -6.603 -6.550 -6.496 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.142 2.614 1.341 0.263 -0.663 -1.467 -2.174 -2.804 -3.370 -3.884 -4.354 -4.786 -5.185 -5.552 -5.892 -6.421 -6.508 -6.587 -6.655 -6.713 -6.757 -6.787 -6.803 -6.805 -6.792 -6.768 -6.735 -6.696 -6.655 -6.613 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.170 2.638 1.363 0.284 -0.643 -1.447 -2.155 -2.784 -3.349 -3.862 -4.331 -4.762 -5.159 -5.524 -5.859 -6.405 -6.497 -6.582 -6.657 -6.724 -6.780 -6.825 -6.858 -6.879 -6.888 -6.885 -6.873 -6.852 -6.824 -6.793 -6.758 99999.999 99999.999 99999.999 99999.999 99999.999 4.197 2.662 1.385 0.304 -0.623 -1.428 -2.135 -2.764 -3.329 -3.841 -4.309 -4.739 -5.134 -5.497 -5.830 -6.388 -6.483 -6.572 -6.653 -6.726 -6.791 -6.847 -6.892 -6.928 -6.953 -6.968 -6.972 -6.968 -6.956 -6.938 -6.914 -6.886 -6.853 99999.999 99999.999 99999.999 4.225 2.686 1.407 0.325 -0.603 -1.409 -2.116 -2.745 -3.309 -3.821 -4.287 -4.716 -5.110 -5.472 -5.803 -6.369 -6.467 -6.558 -6.643 -6.722 -6.793 -6.857 -6.912 -6.958 -6.996 -7.024 -7.043 -7.054 -7.056 -7.052 -7.040 -7.023 -7.000 -6.972 99999.999 99999.999 4.252 2.710 1.429 0.345 -0.583 -1.389 -2.097 -2.726 -3.289 -3.800 -4.266 -4.693 -5.086 -5.447 -5.778 -6.349 -6.448 -6.542 -6.630 -6.713 -6.789 -6.858 -6.921 -6.976 -7.023 -7.062 -7.093 -7.116 -7.131 -7.138 -7.139 -7.134 -7.122 -7.104 -7.080 -7.051 4.279 2.733 1.450 0.366 -0.564 -1.370 -2.078 -2.706 -3.270 -3.780 -4.245 -4.671 -5.063 -5.423 -5.754 -6.328 -6.429 -6.524 -6.615 -6.701 -6.780 -6.854 -6.922 -6.983 -7.038 -7.086 -7.126 -7.159 -7.185 -7.203 -7.215 -7.221 -7.220 -7.212 -7.199 -7.180 4.533 2.959 1.659 0.563 -0.374 -1.186 -1.895 -2.523 -3.083 -3.587 -4.045 -4.463 -4.847 -5.200 -5.526 -6.103 -6.208 -6.310 -6.408 -6.503 -6.596 -6.685 -6.772 -6.855 -6.936 -7.014 -7.089 -7.161 -7.230 -7.297 -7.360 -7.420 -7.477 -7.531 -7.582 -7.630 4.767 3.172 1.857 0.750 -0.194 -1.010 -1.722 -2.350 -2.909 -3.410 -3.863 -4.275 -4.652 -4.999 -5.318 -5.886 -5.989 -6.090 -6.188 -6.283 -6.376 -6.466 -6.554 -6.639 -6.723 -6.804 -6.883 -6.961 -7.036 -7.110 -7.182 -7.252 -7.321 -7.388 -7.453 -7.517 4.984 3.373 2.046 0.931 -0.021 -0.841 -1.557 -2.186 -2.744 -3.244 -3.693 -4.101 -4.473 -4.814 -5.128 -5.685 -5.787 -5.886 -5.982 -6.075 -6.166 -6.255 -6.341 -6.425 -6.508 -6.588 -6.667 -6.743 -6.819 -6.892 -6.965 -7.036 -7.105 -7.174 -7.241 -7.307 5.187 3.565 2.228 1.104 0.146 -0.679 -1.398 -2.029 -2.588 -3.086 -3.534 -3.939 -4.307 -4.644 -4.953 -5.500 -5.600 -5.697 -5.791 -5.883 -5.972 -6.058 -6.143 -6.225 -6.306 -6.384 -6.461 -6.536 -6.610 -6.682 -6.753 -6.822 -6.890 -6.958 -7.024 -7.089 5.380 3.749 2.403 1.272 0.309 -0.522 -1.244 -1.878 -2.438 -2.936 -3.383 -3.786 -4.151 -4.484 -4.789 -5.329 -5.427 -5.522 -5.614 -5.704 -5.792 -5.877 -5.959 -6.040 -6.119 -6.195 -6.270 -6.344 -6.415 -6.486 -6.554 -6.622 -6.688 -6.754 -6.818 -6.881 5.563 3.926 2.573 1.436 0.466 -0.369 -1.095 -1.731 -2.293 -2.792 -3.238 -3.640 -4.003 -4.334 -4.636 -5.169 -5.265 -5.359 -5.450 -5.538 -5.624 -5.707 -5.789 -5.868 -5.945 -6.020 -6.093 -6.165 -6.235 -6.303 -6.370 -6.436 -6.501 -6.564 -6.626 -6.688 5.738 4.098 2.739 1.595 0.620 -0.220 -0.949 -1.588 -2.152 -2.652 -3.099 -3.500 -3.863 -4.191 -4.491 -5.018 -5.114 -5.206 -5.296 -5.383 -5.467 -5.549 -5.629 -5.707 -5.783 -5.856 -5.928 -5.998 -6.067 -6.134 -6.199 -6.264 -6.327 -6.388 -6.449 -6.509 99999.999 4.265 2.900 1.750 0.770 -0.074 -0.807 -1.449 -2.015 -2.517 -2.965 -3.366 -3.728 -4.055 -4.353 -4.876 -4.971 -5.062 -5.151 -5.237 -5.320 -5.401 -5.480 -5.556 -5.631 -5.703 -5.774 -5.843 -5.910 -5.976 -6.040 -6.103 -6.165 -6.225 -6.284 -6.342 iron Fe Ssln ID, Coef: 9 1.000 P-T:All Wt.(g/mol) = 55.850 V(cc/mol) = 7.090 D(g/cc) = 7.877 Ref: H&P2011 4 1.000 11 1.000 2 -0.500 31 -2.000 1 64.969 59.032 53.977 49.626 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 64.969 59.032 53.977 49.626 45.841 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 64.970 59.033 53.977 49.626 45.841 42.515 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 64.971 59.034 53.978 49.627 45.842 42.516 39.565 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 64.973 59.036 53.980 49.629 45.844 42.518 39.567 36.927 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 64.976 59.039 53.983 49.632 45.847 42.521 39.570 36.930 34.547 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 64.981 59.044 53.988 49.637 45.851 42.525 39.574 36.934 34.552 32.383 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 64.988 59.051 53.994 49.643 45.857 42.531 39.581 36.940 34.558 32.391 30.398 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 64.997 59.060 54.003 49.651 45.866 42.539 39.589 36.949 34.568 32.401 30.410 28.561 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.009 59.072 54.015 49.663 45.877 42.551 39.600 36.961 34.580 32.415 30.426 28.581 26.849 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.026 59.088 54.030 49.677 45.891 42.565 39.615 36.976 34.596 32.432 30.446 28.606 26.880 25.251 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.046 59.108 54.049 49.696 45.910 42.583 39.633 36.995 34.616 32.454 30.472 28.637 26.920 25.296 23.771 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.062 59.123 54.064 49.711 45.924 42.597 39.648 37.010 34.632 32.471 30.491 28.661 26.950 25.334 23.771 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.084 59.145 54.085 49.731 45.944 42.617 39.668 37.030 34.653 32.495 30.518 28.693 26.992 25.387 23.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.106 59.167 54.106 49.751 45.964 42.637 39.687 37.051 34.675 32.518 30.544 28.725 27.032 25.440 23.892 23.361 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.127 59.188 54.127 49.771 45.983 42.656 39.707 37.071 34.696 32.540 30.570 28.755 27.070 25.491 23.963 22.287 22.333 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.148 59.209 54.147 49.791 46.002 42.675 39.726 37.090 34.716 32.562 30.594 28.784 27.107 25.538 24.033 22.046 21.792 21.672 21.664 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.169 59.229 54.167 49.810 46.021 42.694 39.745 37.109 34.736 32.584 30.618 28.812 27.141 25.583 24.099 21.954 21.605 21.324 21.124 20.990 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.189 59.249 54.186 49.829 46.040 42.712 39.763 37.128 34.756 32.605 30.641 28.838 27.173 25.625 24.159 21.914 21.523 21.175 20.876 20.631 20.430 20.239 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.209 59.269 54.206 49.848 46.058 42.730 39.781 37.147 34.775 32.625 30.664 28.864 27.204 25.664 24.215 21.898 21.485 21.102 20.754 20.444 20.173 19.933 19.705 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.229 59.289 54.225 49.866 46.076 42.748 39.799 37.165 34.794 32.645 30.686 28.889 27.233 25.700 24.265 21.896 21.469 21.067 20.690 20.343 20.027 19.740 19.477 19.227 18.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.248 59.308 54.244 49.885 46.094 42.766 39.817 37.183 34.813 32.665 30.707 28.912 27.260 25.733 24.310 21.902 21.466 21.051 20.658 20.288 19.943 19.623 19.327 19.050 18.786 18.528 18.270 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.267 59.327 54.262 49.903 46.112 42.783 39.834 37.201 34.831 32.684 30.728 28.935 27.286 25.764 24.349 21.913 21.471 21.048 20.643 20.259 19.895 19.553 19.231 18.930 18.646 18.374 18.111 17.853 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.286 59.346 54.281 49.921 46.129 42.800 39.851 37.218 34.849 32.703 30.748 28.957 27.311 25.792 24.384 21.927 21.481 21.052 20.640 20.245 19.869 19.511 19.172 18.852 18.548 18.260 17.985 17.720 17.462 17.212 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.304 59.365 54.299 49.938 46.146 42.817 39.868 37.235 34.867 32.722 30.767 28.978 27.334 25.818 24.415 21.943 21.494 21.061 20.643 20.242 19.857 19.488 19.136 18.801 18.483 18.180 17.891 17.614 17.349 17.093 16.845 99999.999 99999.999 99999.999 99999.999 99999.999 65.322 59.383 54.317 49.956 46.163 42.834 39.885 37.252 34.884 32.740 30.787 28.999 27.356 25.842 24.442 21.961 21.509 21.073 20.652 20.245 19.854 19.477 19.116 18.771 18.440 18.125 17.823 17.535 17.259 16.995 16.741 16.497 16.263 99999.999 99999.999 99999.999 65.340 59.402 54.335 49.973 46.180 42.850 39.901 37.269 34.901 32.758 30.805 29.019 27.377 25.864 24.466 21.979 21.526 21.088 20.664 20.253 19.857 19.475 19.107 18.754 18.414 18.088 17.777 17.478 17.192 16.918 16.655 16.404 16.163 15.933 99999.999 99999.999 65.358 59.419 54.352 49.990 46.196 42.866 39.918 37.285 34.918 32.775 30.824 29.038 27.398 25.886 24.489 21.998 21.544 21.104 20.678 20.265 19.865 19.479 19.106 18.746 18.399 18.066 17.746 17.438 17.143 16.860 16.589 16.329 16.080 15.842 15.615 15.400 65.375 59.437 54.369 50.007 46.213 42.883 39.934 37.301 34.935 32.792 30.842 29.057 27.418 25.906 24.510 22.018 21.563 21.122 20.694 20.279 19.876 19.487 19.110 18.745 18.393 18.054 17.727 17.412 17.109 16.818 16.538 16.270 16.013 15.767 15.532 15.308 65.537 59.603 54.532 50.165 46.367 43.034 40.084 37.453 35.089 32.952 31.008 29.231 27.599 26.095 24.705 22.216 21.759 21.315 20.883 20.462 20.052 19.652 19.263 18.883 18.513 18.153 17.801 17.458 17.124 16.798 16.480 16.171 15.869 15.575 15.289 15.011 65.679 59.753 54.680 50.309 46.507 43.171 40.220 37.588 35.226 33.092 31.152 29.381 27.755 26.258 24.874 22.396 21.941 21.498 21.067 20.648 20.238 19.840 19.450 19.071 18.700 18.338 17.985 17.639 17.301 16.971 16.648 16.332 16.022 15.720 15.423 15.133 65.805 59.889 54.816 50.442 46.637 43.298 40.344 37.712 35.350 33.217 31.281 29.514 27.893 26.401 25.023 22.555 22.103 21.662 21.233 20.815 20.408 20.011 19.624 19.246 18.877 18.517 18.165 17.821 17.484 17.155 16.833 16.517 16.208 15.905 15.608 15.317 65.920 60.015 54.942 50.565 46.757 43.415 40.460 37.826 35.464 33.332 31.398 29.634 28.017 26.529 25.155 22.697 22.246 21.808 21.381 20.965 20.560 20.165 19.780 19.404 19.037 18.679 18.329 17.987 17.652 17.325 17.005 16.691 16.384 16.083 15.788 15.498 66.025 60.133 55.061 50.682 46.871 43.526 40.568 37.933 35.570 33.439 31.505 29.743 28.129 26.645 25.274 22.825 22.376 21.939 21.514 21.100 20.696 20.303 19.920 19.546 19.181 18.825 18.477 18.137 17.804 17.479 17.160 16.849 16.544 16.245 15.952 15.664 66.122 60.244 55.173 50.792 46.978 43.631 40.670 38.034 35.670 33.538 31.606 29.845 28.233 26.751 25.383 22.941 22.493 22.057 21.634 21.221 20.819 20.428 20.046 19.674 19.311 18.956 18.610 18.271 17.941 17.617 17.301 16.991 16.688 16.391 16.099 15.814 66.213 60.349 55.279 50.896 47.080 43.731 40.768 38.129 35.764 33.632 31.700 29.939 28.329 26.849 25.484 23.047 22.600 22.166 21.744 21.332 20.932 20.542 20.161 19.790 19.429 19.075 18.730 18.394 18.064 17.742 17.427 17.119 16.818 16.522 16.233 15.949 99999.999 60.449 55.381 50.997 47.179 43.826 40.861 38.221 35.855 33.721 31.789 30.029 28.419 26.940 25.577 23.144 22.699 22.266 21.845 21.434 21.035 20.646 20.267 19.897 19.536 19.184 18.841 18.505 18.177 17.856 17.543 17.236 16.936 16.642 16.354 16.071 iron Fe Ssln ID, Coef: 9 1.000 P-T:All Wt.(g/mol) = 55.850 V(cc/mol) = 7.090 D(g/cc) = 7.877 Ref: H&P2011 5 1.000 11 1.000 2 0.250 6 -2.250 1 -0.250 4 26.944 24.453 22.367 20.597 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.944 24.453 22.367 20.597 19.079 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.945 24.453 22.367 20.598 19.079 17.761 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.945 24.454 22.367 20.598 19.079 17.761 16.605 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.946 24.455 22.368 20.599 19.080 17.762 16.606 15.582 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.947 24.456 22.369 20.600 19.081 17.763 16.607 15.584 14.669 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.949 24.457 22.371 20.602 19.083 17.765 16.609 15.586 14.671 13.847 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.951 24.460 22.373 20.604 19.085 17.767 16.611 15.588 14.674 13.850 13.099 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.954 24.463 22.377 20.607 19.088 17.770 16.615 15.592 14.679 13.855 13.105 12.413 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.958 24.468 22.381 20.611 19.093 17.775 16.619 15.597 14.684 13.861 13.112 12.422 11.786 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.964 24.473 22.386 20.617 19.098 17.780 16.625 15.603 14.691 13.869 13.121 12.433 11.798 11.231 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.970 24.480 22.393 20.624 19.105 17.788 16.633 15.611 14.699 13.879 13.133 12.448 11.815 11.237 10.804 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.975 24.485 22.399 20.629 19.110 17.793 16.639 15.617 14.706 13.886 13.141 12.459 11.828 11.248 10.736 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.982 24.493 22.406 20.636 19.118 17.801 16.646 15.626 14.715 13.896 13.154 12.474 11.848 11.269 10.721 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.989 24.500 22.413 20.644 19.125 17.808 16.654 15.634 14.724 13.906 13.165 12.489 11.867 11.292 10.738 12.692 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.995 24.507 22.420 20.651 19.132 17.815 16.662 15.642 14.733 13.916 13.177 12.503 11.885 11.315 10.766 11.082 11.707 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.001 24.513 22.427 20.657 19.139 17.822 16.669 15.650 14.741 13.926 13.188 12.516 11.903 11.338 10.799 10.684 10.864 11.240 11.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.006 24.520 22.434 20.664 19.146 17.829 16.676 15.657 14.750 13.935 13.198 12.529 11.919 11.360 10.832 10.502 10.540 10.670 10.919 11.286 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.012 24.526 22.440 20.670 19.152 17.836 16.683 15.665 14.757 13.943 13.208 12.541 11.935 11.381 10.863 10.398 10.371 10.397 10.491 10.664 10.910 11.198 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.017 24.532 22.446 20.677 19.158 17.842 16.690 15.672 14.765 13.952 13.218 12.553 11.949 11.400 10.891 10.332 10.269 10.242 10.257 10.323 10.444 10.616 10.820 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.021 24.537 22.452 20.683 19.164 17.848 16.696 15.679 14.773 13.960 13.227 12.564 11.962 11.417 10.917 10.288 10.203 10.143 10.113 10.118 10.163 10.248 10.370 10.517 10.674 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.026 24.543 22.458 20.688 19.170 17.854 16.703 15.686 14.780 13.968 13.236 12.574 11.975 11.432 10.938 10.258 10.157 10.076 10.018 9.985 9.982 10.010 10.069 10.156 10.263 10.381 10.500 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.030 24.548 22.463 20.694 19.176 17.860 16.709 15.692 14.787 13.976 13.245 12.584 11.986 11.446 10.957 10.236 10.125 10.029 9.952 9.895 9.860 9.849 9.863 9.903 9.964 10.042 10.131 10.225 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.034 24.553 22.469 20.700 19.182 17.866 16.715 15.699 14.794 13.984 13.253 12.593 11.997 11.458 10.972 10.221 10.102 9.996 9.905 9.830 9.773 9.736 9.719 9.722 9.746 9.788 9.845 9.912 9.986 10.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.038 24.558 22.474 20.705 19.187 17.872 16.721 15.705 14.801 13.991 13.261 12.602 12.006 11.468 10.985 10.211 10.085 9.972 9.870 9.783 9.710 9.653 9.614 9.591 9.587 9.599 9.626 9.666 9.716 9.774 9.837 99999.999 99999.999 99999.999 99999.999 99999.999 27.041 24.562 22.479 20.710 19.193 17.877 16.727 15.711 14.807 13.998 13.269 12.611 12.015 11.478 10.995 10.204 10.074 9.954 9.845 9.748 9.664 9.593 9.536 9.494 9.467 9.456 9.458 9.474 9.501 9.538 9.583 9.634 9.691 99999.999 99999.999 99999.999 27.044 24.567 22.484 20.715 19.198 17.883 16.732 15.717 14.814 14.005 13.277 12.619 12.024 11.486 11.003 10.200 10.066 9.941 9.826 9.722 9.628 9.547 9.477 9.420 9.377 9.346 9.329 9.324 9.330 9.347 9.374 9.408 9.449 9.497 99999.999 99999.999 27.047 24.571 22.489 20.720 19.203 17.888 16.738 15.723 14.820 14.012 13.284 12.627 12.032 11.494 11.010 10.198 10.061 9.932 9.812 9.702 9.602 9.512 9.432 9.364 9.307 9.262 9.229 9.206 9.195 9.195 9.203 9.221 9.246 9.279 9.318 9.363 27.050 24.575 22.493 20.725 19.208 17.893 16.743 15.728 14.826 14.019 13.291 12.634 12.039 11.501 11.016 10.197 10.057 9.926 9.802 9.688 9.582 9.485 9.398 9.320 9.253 9.196 9.150 9.114 9.088 9.072 9.065 9.067 9.077 9.095 9.120 9.151 27.067 24.609 22.532 20.767 19.251 17.938 16.790 15.778 14.880 14.077 13.354 12.701 12.109 11.571 11.082 10.234 10.083 9.938 9.798 9.664 9.536 9.412 9.294 9.181 9.073 8.970 8.871 8.778 8.689 8.606 8.526 8.452 8.382 8.317 8.256 8.200 27.068 24.629 22.561 20.799 19.286 17.974 16.828 15.819 14.923 14.124 13.405 12.756 12.168 11.633 11.145 10.292 10.139 9.991 9.848 9.710 9.576 9.447 9.322 9.202 9.085 8.973 8.864 8.758 8.656 8.558 8.462 8.370 8.281 8.195 8.111 8.030 27.057 24.640 22.580 20.823 19.312 18.003 16.859 15.851 14.958 14.162 13.447 12.802 12.217 11.685 11.200 10.349 10.196 10.047 9.904 9.765 9.631 9.500 9.374 9.252 9.133 9.018 8.906 8.798 8.692 8.590 8.490 8.393 8.298 8.206 8.117 8.029 27.034 24.643 22.593 20.841 19.334 18.026 16.884 15.878 14.988 14.193 13.481 12.839 12.258 11.729 11.247 10.401 10.248 10.100 9.957 9.819 9.684 9.554 9.428 9.306 9.187 9.071 8.959 8.850 8.744 8.640 8.540 8.442 8.346 8.252 8.161 8.072 27.004 24.640 22.601 20.855 19.350 18.045 16.905 15.901 15.012 14.220 13.510 12.871 12.293 11.767 11.288 10.446 10.295 10.148 10.005 9.868 9.734 9.605 9.479 9.357 9.239 9.124 9.012 8.903 8.797 8.694 8.594 8.496 8.400 8.307 8.215 8.126 26.967 24.631 22.604 20.864 19.363 18.060 16.922 15.920 15.033 14.243 13.535 12.898 12.322 11.799 11.323 10.487 10.336 10.190 10.048 9.911 9.779 9.650 9.525 9.404 9.286 9.172 9.061 8.953 8.847 8.745 8.645 8.548 8.453 8.360 8.269 8.181 26.925 24.619 22.604 20.870 19.373 18.073 16.936 15.936 15.050 14.262 13.556 12.921 12.348 11.827 11.353 10.522 10.372 10.227 10.086 9.950 9.818 9.690 9.566 9.446 9.329 9.216 9.105 8.998 8.893 8.792 8.693 8.596 8.502 8.410 8.320 8.232 99999.999 24.603 22.600 20.873 19.380 18.083 16.948 15.949 15.065 14.278 13.574 12.941 12.370 11.851 11.379 10.553 10.404 10.259 10.120 9.984 9.853 9.726 9.603 9.484 9.368 9.255 9.145 9.039 8.935 8.834 8.736 8.640 8.546 8.455 8.366 8.279 nickel Ni Ssln ID, Coef: 9 1.000 P-T:All Wt.(g/mol) = 58.710 V(cc/mol) = 6.590 D(g/cc) = 8.909 Ref: H&P2011 5 1.000 26 0.250 6 1.000 2 -0.250 4 -2.250 1 18.287 16.412 14.841 13.508 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.287 16.412 14.841 13.508 12.364 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.287 16.413 14.841 13.509 12.364 11.371 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.288 16.413 14.842 13.509 12.365 11.371 10.499 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.289 16.414 14.843 13.510 12.366 11.373 10.500 9.725 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.291 16.416 14.845 13.512 12.368 11.374 10.502 9.727 9.033 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.294 16.419 14.848 13.515 12.371 11.377 10.504 9.730 9.036 8.408 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.298 16.423 14.851 13.519 12.374 11.381 10.508 9.734 9.041 8.413 7.836 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.303 16.429 14.857 13.524 12.379 11.386 10.513 9.739 9.046 8.419 7.843 7.309 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.310 16.436 14.864 13.531 12.386 11.392 10.520 9.747 9.054 8.427 7.853 7.320 6.825 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.320 16.445 14.873 13.540 12.395 11.401 10.529 9.756 9.063 8.437 7.865 7.334 6.840 6.404 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.331 16.457 14.885 13.551 12.406 11.412 10.540 9.767 9.076 8.451 7.880 7.352 6.860 6.412 6.109 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.340 16.466 14.893 13.560 12.415 11.421 10.549 9.776 9.085 8.461 7.891 7.365 6.877 6.425 6.035 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.352 16.479 14.906 13.572 12.427 11.433 10.561 9.789 9.098 8.475 7.907 7.385 6.900 6.450 6.020 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.364 16.491 14.918 13.584 12.438 11.445 10.573 9.801 9.111 8.489 7.923 7.403 6.923 6.477 6.039 8.472 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.375 16.503 14.930 13.595 12.450 11.456 10.585 9.813 9.124 8.502 7.938 7.421 6.946 6.505 6.072 6.704 7.444 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.387 16.515 14.942 13.607 12.461 11.467 10.596 9.825 9.136 8.516 7.953 7.439 6.967 6.532 6.109 6.271 6.521 6.985 7.679 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.397 16.526 14.953 13.618 12.472 11.478 10.607 9.836 9.148 8.528 7.967 7.455 6.987 6.558 6.146 6.073 6.168 6.362 6.685 7.138 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.408 16.537 14.964 13.629 12.483 11.489 10.618 9.847 9.160 8.541 7.981 7.471 7.006 6.582 6.182 5.962 5.985 6.065 6.217 6.455 6.774 7.140 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.418 16.548 14.975 13.640 12.494 11.500 10.629 9.858 9.171 8.553 7.994 7.486 7.025 6.605 6.215 5.892 5.876 5.896 5.962 6.083 6.263 6.498 6.769 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.428 16.559 14.986 13.650 12.504 11.510 10.639 9.869 9.182 8.565 8.007 7.501 7.041 6.626 6.244 5.845 5.805 5.790 5.806 5.860 5.956 6.095 6.274 6.480 6.697 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.437 16.569 14.996 13.661 12.514 11.520 10.649 9.880 9.193 8.576 8.019 7.514 7.057 6.645 6.270 5.814 5.756 5.719 5.704 5.716 5.759 5.835 5.945 6.083 6.244 6.416 6.590 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.446 16.579 15.007 13.671 12.524 11.530 10.660 9.890 9.204 8.588 8.031 7.528 7.072 6.662 6.292 5.793 5.723 5.669 5.634 5.619 5.627 5.660 5.720 5.806 5.915 6.042 6.181 6.325 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.455 16.589 15.017 13.681 12.534 11.540 10.669 9.900 9.215 8.599 8.043 7.540 7.086 6.677 6.311 5.778 5.700 5.635 5.584 5.550 5.534 5.538 5.563 5.610 5.678 5.765 5.867 5.980 6.100 6.224 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.464 16.599 15.026 13.690 12.544 11.550 10.679 9.910 9.225 8.610 8.055 7.552 7.099 6.691 6.326 5.769 5.684 5.610 5.548 5.500 5.467 5.449 5.450 5.468 5.504 5.557 5.627 5.709 5.802 5.903 6.010 99999.999 99999.999 99999.999 99999.999 99999.999 18.472 16.608 15.036 13.700 12.553 11.559 10.689 9.920 9.235 8.620 8.066 7.564 7.111 6.703 6.339 5.763 5.673 5.592 5.522 5.463 5.417 5.384 5.366 5.363 5.375 5.402 5.444 5.499 5.567 5.644 5.729 5.821 5.919 99999.999 99999.999 99999.999 18.480 16.618 15.046 13.710 12.563 11.568 10.698 9.929 9.245 8.631 8.077 7.575 7.122 6.715 6.351 5.761 5.666 5.580 5.503 5.437 5.381 5.336 5.303 5.283 5.277 5.284 5.303 5.336 5.380 5.435 5.500 5.572 5.651 5.737 99999.999 99999.999 18.488 16.627 15.055 13.719 12.572 11.578 10.707 9.939 9.255 8.641 8.087 7.586 7.134 6.725 6.360 5.760 5.662 5.572 5.490 5.417 5.353 5.299 5.256 5.223 5.202 5.192 5.195 5.208 5.233 5.268 5.313 5.367 5.428 5.497 5.572 5.654 18.495 16.635 15.064 13.728 12.581 11.586 10.716 9.948 9.264 8.651 8.098 7.597 7.144 6.736 6.369 5.762 5.661 5.567 5.481 5.403 5.333 5.272 5.219 5.177 5.144 5.122 5.110 5.108 5.116 5.135 5.162 5.199 5.244 5.296 5.355 5.420 18.558 16.714 15.146 13.811 12.663 11.669 10.799 10.033 9.351 8.741 8.192 7.695 7.244 6.834 6.462 5.820 5.707 5.598 5.494 5.395 5.300 5.209 5.123 5.041 4.963 4.889 4.820 4.755 4.694 4.637 4.585 4.537 4.493 4.453 4.417 4.386 18.602 16.778 15.216 13.882 12.735 11.740 10.871 10.105 9.426 8.818 8.272 7.778 7.330 6.923 6.551 5.903 5.786 5.674 5.566 5.462 5.361 5.264 5.170 5.080 4.992 4.908 4.827 4.748 4.672 4.599 4.529 4.461 4.395 4.332 4.271 4.213 18.632 16.829 15.275 13.943 12.797 11.803 10.934 10.169 9.490 8.885 8.342 7.851 7.406 7.001 6.631 5.983 5.867 5.754 5.645 5.539 5.437 5.339 5.243 5.150 5.060 4.973 4.888 4.806 4.726 4.649 4.573 4.500 4.428 4.359 4.291 4.224 18.649 16.872 15.326 13.998 12.852 11.859 10.990 10.225 9.548 8.944 8.403 7.914 7.472 7.069 6.702 6.058 5.942 5.829 5.720 5.615 5.513 5.414 5.318 5.225 5.134 5.047 4.961 4.878 4.797 4.719 4.642 4.567 4.494 4.423 4.353 4.285 18.657 16.906 15.370 14.046 12.902 11.909 11.041 10.277 9.600 8.997 8.457 7.971 7.531 7.131 6.766 6.125 6.010 5.898 5.790 5.685 5.583 5.485 5.389 5.297 5.206 5.119 5.034 4.951 4.870 4.791 4.715 4.640 4.567 4.495 4.425 4.357 18.657 16.935 15.409 14.089 12.947 11.955 11.087 10.323 9.647 9.045 8.507 8.022 7.584 7.186 6.823 6.187 6.072 5.961 5.853 5.749 5.648 5.550 5.455 5.363 5.274 5.187 5.102 5.020 4.939 4.861 4.785 4.711 4.638 4.567 4.498 4.430 18.650 16.958 15.443 14.127 12.988 11.997 11.130 10.366 9.691 9.090 8.552 8.068 7.632 7.236 6.875 6.242 6.128 6.018 5.911 5.808 5.708 5.610 5.516 5.425 5.336 5.249 5.165 5.084 5.004 4.926 4.851 4.777 4.705 4.635 4.566 4.499 99999.999 16.978 15.473 14.163 13.026 12.036 11.169 10.406 9.731 9.131 8.594 8.111 7.676 7.281 6.922 6.293 6.180 6.070 5.964 5.861 5.762 5.665 5.572 5.481 5.392 5.307 5.223 5.142 5.063 4.986 4.911 4.838 4.767 4.697 4.629 4.563 nickel Ni Ssln ID, Coef: 9 1.000 P-T:All Wt.(g/mol) = 58.710 V(cc/mol) = 6.590 D(g/cc) = 8.909 Ref: H&P2011 4 1.000 26 1.000 2 -0.500 31 -2.000 1 56.312 50.991 46.451 42.537 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.312 50.991 46.451 42.537 39.126 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.312 50.992 46.451 42.537 39.127 36.125 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.314 50.994 46.453 42.539 39.128 36.127 33.459 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.316 50.996 46.455 42.541 39.130 36.129 33.461 31.070 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.320 51.000 46.459 42.544 39.134 36.132 33.465 31.073 28.911 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.326 51.006 46.464 42.550 39.139 36.137 33.470 31.079 28.916 26.944 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.335 51.014 46.472 42.557 39.147 36.145 33.477 31.086 28.924 26.953 25.136 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.346 51.025 46.483 42.568 39.157 36.155 33.487 31.097 28.935 26.965 25.149 23.457 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.361 51.040 46.498 42.582 39.170 36.168 33.501 31.110 28.950 26.980 25.167 23.479 21.889 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.381 51.060 46.516 42.600 39.188 36.186 33.519 31.128 28.969 27.001 25.190 23.506 21.923 20.425 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.407 51.085 46.540 42.623 39.211 36.208 33.541 31.151 28.993 27.026 25.219 23.541 21.966 20.472 19.076 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.426 51.104 46.559 42.641 39.228 36.225 33.558 31.169 29.011 27.046 25.241 23.567 21.999 20.511 19.070 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.454 51.131 46.585 42.666 39.253 36.249 33.582 31.193 29.037 27.073 25.272 23.604 22.045 20.569 19.122 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.481 51.158 46.611 42.691 39.277 36.273 33.606 31.218 29.062 27.100 25.302 23.639 22.089 20.625 19.193 19.141 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.507 51.184 46.636 42.716 39.301 36.297 33.630 31.242 29.086 27.127 25.331 23.673 22.131 20.680 19.269 17.909 18.070 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.534 51.210 46.661 42.740 39.324 36.320 33.653 31.265 29.111 27.152 25.359 23.706 22.171 20.732 19.343 17.632 17.449 17.417 17.520 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.559 51.236 46.686 42.764 39.348 36.343 33.676 31.288 29.135 27.177 25.387 23.738 22.209 20.781 19.413 17.525 17.233 17.016 16.890 16.842 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.585 51.261 46.711 42.788 39.371 36.365 33.698 31.311 29.158 27.202 25.414 23.768 22.245 20.827 19.479 17.478 17.137 16.842 16.602 16.423 16.294 16.181 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.610 51.286 46.735 42.811 39.393 36.388 33.720 31.333 29.181 27.226 25.440 23.797 22.280 20.869 19.538 17.458 17.091 16.757 16.459 16.204 15.992 15.815 15.655 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.635 51.310 46.759 42.834 39.416 36.410 33.742 31.355 29.204 27.250 25.465 23.825 22.312 20.909 19.592 17.454 17.071 16.714 16.384 16.085 15.820 15.587 15.381 15.190 15.001 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.659 51.335 46.782 42.857 39.438 36.431 33.764 31.377 29.226 27.273 25.490 23.853 22.343 20.946 19.641 17.459 17.066 16.694 16.344 16.019 15.720 15.448 15.202 14.977 14.767 14.564 14.360 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.683 51.359 46.806 42.879 39.460 36.453 33.785 31.399 29.248 27.296 25.514 23.879 22.372 20.979 19.684 17.469 17.069 16.688 16.325 15.983 15.662 15.364 15.088 14.834 14.597 14.375 14.162 13.954 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.707 51.383 46.829 42.902 39.481 36.474 33.806 31.420 29.269 27.318 25.537 23.904 22.400 21.011 19.722 17.484 17.079 16.690 16.319 15.965 15.629 15.313 15.016 14.739 14.480 14.237 14.007 13.788 13.576 13.372 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.730 51.406 46.851 42.924 39.503 36.495 33.827 31.441 29.291 27.340 25.560 23.929 22.426 21.040 19.756 17.501 17.092 16.699 16.321 15.959 15.613 15.284 14.972 14.678 14.400 14.139 13.892 13.658 13.435 13.222 13.018 99999.999 99999.999 99999.999 99999.999 99999.999 56.753 51.429 46.874 42.945 39.524 36.515 33.847 31.461 29.312 27.362 25.583 23.952 22.452 21.067 19.787 17.520 17.108 16.712 16.329 15.961 15.607 15.269 14.946 14.639 14.347 14.071 13.809 13.561 13.325 13.101 12.887 12.684 12.490 99999.999 99999.999 99999.999 56.776 51.452 46.896 42.967 39.545 36.536 33.867 31.481 29.332 27.383 25.605 23.975 22.476 21.093 19.814 17.540 17.127 16.727 16.341 15.968 15.609 15.264 14.933 14.617 14.314 14.026 13.751 13.490 13.242 13.006 12.781 12.568 12.365 12.173 99999.999 99999.999 56.798 51.475 46.918 42.988 39.565 36.556 33.887 31.501 29.353 27.404 25.627 23.998 22.500 21.117 19.839 17.561 17.146 16.744 16.356 15.980 15.617 15.266 14.929 14.605 14.294 13.997 13.712 13.440 13.181 12.934 12.699 12.475 12.262 12.060 11.870 11.690 56.821 51.497 46.940 43.009 39.586 36.576 33.907 31.521 29.373 27.425 25.648 24.020 22.523 21.141 19.863 17.582 17.166 16.763 16.372 15.994 15.628 15.273 14.932 14.602 14.285 13.979 13.687 13.406 13.137 12.881 12.636 12.402 12.179 11.968 11.767 11.577 57.028 51.709 47.146 43.209 39.779 36.765 34.093 31.707 29.560 27.616 25.845 24.224 22.734 21.358 20.085 17.803 17.384 16.976 16.579 16.192 15.816 15.449 15.091 14.743 14.403 14.072 13.749 13.435 13.128 12.830 12.539 12.255 11.980 11.711 11.450 11.197 57.213 51.901 47.335 43.392 39.957 36.938 34.263 31.875 29.728 27.786 26.019 24.403 22.918 21.548 20.280 18.007 17.589 17.182 16.786 16.400 16.023 15.656 15.298 14.948 14.607 14.273 13.947 13.629 13.317 13.013 12.714 12.423 12.137 11.857 11.584 11.315 57.380 52.078 47.510 43.562 40.121 37.098 34.419 32.029 29.882 27.941 26.176 24.563 23.082 21.717 20.454 18.190 17.774 17.369 16.974 16.590 16.215 15.849 15.493 15.144 14.804 14.472 14.147 13.829 13.518 13.214 12.916 12.624 12.338 12.057 11.782 11.512 57.535 52.244 47.674 43.722 40.276 37.248 34.566 32.173 30.024 28.083 26.319 24.709 23.231 21.869 20.610 18.354 17.940 17.537 17.144 16.761 16.388 16.025 15.670 15.323 14.985 14.654 14.331 14.015 13.706 13.403 13.107 12.816 12.532 12.253 11.979 11.711 57.677 52.399 47.829 43.873 40.422 37.390 34.704 32.308 30.158 28.216 26.452 24.843 23.367 22.008 20.752 18.504 18.091 17.689 17.298 16.917 16.546 16.183 15.830 15.485 15.149 14.820 14.499 14.184 13.877 13.576 13.282 12.993 12.710 12.433 12.161 11.895 57.811 52.547 47.977 44.016 40.562 37.525 34.836 32.437 30.284 28.341 26.577 24.968 23.494 22.137 20.884 18.641 18.229 17.829 17.439 17.059 16.689 16.328 15.977 15.633 15.298 14.971 14.651 14.338 14.033 13.733 13.441 13.154 12.873 12.598 12.328 12.063 57.938 52.688 48.118 44.154 40.696 37.655 34.962 32.560 30.405 28.460 26.695 25.086 23.613 22.257 21.005 18.767 18.357 17.957 17.569 17.190 16.821 16.462 16.111 15.769 15.435 15.109 14.790 14.479 14.175 13.877 13.586 13.300 13.021 12.747 12.479 12.215 99999.999 52.824 48.254 44.287 40.824 37.780 35.083 32.678 30.520 28.574 26.808 25.198 23.725 22.370 21.120 18.885 18.475 18.077 17.689 17.311 16.943 16.585 16.235 15.894 15.561 15.236 14.919 14.609 14.305 14.009 13.719 13.435 13.156 12.884 12.617 12.355 jadeite NaAlSi2O6 P-T:All Wt.(g/mol) = 202.140 V(cc/mol) = 60.400 D(g/cc) = 3.347 Ref: H&P2011 5 1.000 13 1.000 8 2.000 7 -2.000 2 -4.000 1 8.942 7.561 6.286 5.162 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.942 7.561 6.286 5.162 4.179 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.943 7.562 6.287 5.163 4.180 3.313 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.945 7.564 6.289 5.165 4.181 3.315 2.542 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.947 7.567 6.291 5.168 4.185 3.318 2.545 1.845 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.950 7.571 6.296 5.173 4.190 3.324 2.551 1.851 1.205 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.956 7.578 6.303 5.180 4.197 3.331 2.559 1.860 1.215 0.606 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.963 7.587 6.313 5.190 4.208 3.342 2.571 1.873 1.229 0.622 0.030 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.973 7.599 6.326 5.204 4.222 3.358 2.587 1.890 1.248 0.643 0.055 -0.538 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.986 7.616 6.344 5.222 4.241 3.377 2.608 1.912 1.273 0.671 0.088 -0.498 -1.098 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.001 7.636 6.366 5.246 4.265 3.403 2.635 1.941 1.305 0.707 0.130 -0.447 -1.036 -1.616 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.020 7.661 6.393 5.274 4.295 3.434 2.669 1.978 1.344 0.752 0.182 -0.382 -0.956 -1.542 -1.992 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.033 7.679 6.414 5.296 4.318 3.458 2.694 2.005 1.374 0.785 0.222 -0.333 -0.895 -1.474 -2.069 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.050 7.704 6.442 5.326 4.349 3.491 2.729 2.043 1.416 0.832 0.277 -0.266 -0.810 -1.370 -2.011 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.065 7.727 6.468 5.354 4.379 3.522 2.763 2.080 1.456 0.877 0.329 -0.202 -0.728 -1.266 -1.893 3.561 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.078 7.748 6.492 5.380 4.407 3.552 2.795 2.115 1.495 0.920 0.379 -0.141 -0.650 -1.164 -1.758 0.088 1.622 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.089 7.767 6.515 5.405 4.434 3.581 2.826 2.148 1.532 0.962 0.427 -0.082 -0.576 -1.067 -1.621 -0.707 -0.142 0.835 2.237 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.098 7.785 6.537 5.429 4.459 3.609 2.855 2.180 1.567 1.002 0.473 -0.027 -0.507 -0.976 -1.489 -1.037 -0.774 -0.325 0.367 1.295 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.105 7.801 6.557 5.452 4.484 3.635 2.884 2.211 1.601 1.040 0.518 0.026 -0.442 -0.892 -1.366 -1.203 -1.075 -0.845 -0.482 0.038 0.701 1.434 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.110 7.816 6.576 5.473 4.507 3.660 2.911 2.241 1.634 1.077 0.560 0.075 -0.380 -0.813 -1.254 -1.291 -1.236 -1.118 -0.918 -0.621 -0.217 0.282 0.834 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.114 7.829 6.593 5.493 4.529 3.684 2.937 2.270 1.666 1.112 0.600 0.123 -0.323 -0.741 -1.153 -1.336 -1.326 -1.272 -1.165 -0.993 -0.747 -0.425 -0.036 0.394 0.834 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.116 7.841 6.609 5.511 4.549 3.706 2.962 2.297 1.696 1.146 0.639 0.167 -0.270 -0.676 -1.063 -1.355 -1.374 -1.362 -1.311 -1.215 -1.067 -0.862 -0.600 -0.290 0.055 0.414 0.769 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.116 7.851 6.624 5.529 4.569 3.728 2.985 2.323 1.725 1.179 0.676 0.210 -0.220 -0.616 -0.985 -1.358 -1.397 -1.412 -1.399 -1.352 -1.268 -1.140 -0.968 -0.753 -0.499 -0.217 0.082 0.386 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.114 7.860 6.638 5.545 4.588 3.748 3.008 2.348 1.753 1.210 0.711 0.250 -0.174 -0.562 -0.916 -1.349 -1.403 -1.437 -1.450 -1.437 -1.395 -1.321 -1.212 -1.066 -0.886 -0.676 -0.440 -0.187 0.076 0.345 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.111 7.868 6.650 5.561 4.605 3.768 3.030 2.372 1.780 1.241 0.745 0.288 -0.131 -0.513 -0.857 -1.332 -1.397 -1.445 -1.477 -1.488 -1.476 -1.439 -1.375 -1.281 -1.158 -1.006 -0.828 -0.628 -0.411 -0.181 0.060 99999.999 99999.999 99999.999 99999.999 99999.999 9.107 7.874 6.661 5.575 4.621 3.786 3.050 2.396 1.806 1.270 0.778 0.325 -0.090 -0.468 -0.806 -1.310 -1.383 -1.442 -1.487 -1.515 -1.526 -1.516 -1.484 -1.428 -1.348 -1.242 -1.113 -0.961 -0.789 -0.600 -0.397 -0.181 0.048 99999.999 99999.999 99999.999 9.100 7.879 6.672 5.588 4.637 3.804 3.070 2.418 1.831 1.297 0.809 0.360 -0.052 -0.426 -0.761 -1.285 -1.363 -1.430 -1.485 -1.527 -1.554 -1.564 -1.556 -1.529 -1.481 -1.412 -1.321 -1.210 -1.078 -0.929 -0.763 -0.582 -0.387 -0.178 99999.999 99999.999 9.093 7.883 6.681 5.600 4.651 3.820 3.089 2.439 1.855 1.324 0.839 0.393 -0.016 -0.387 -0.721 -1.256 -1.339 -1.412 -1.475 -1.527 -1.566 -1.592 -1.602 -1.596 -1.573 -1.532 -1.473 -1.394 -1.298 -1.184 -1.053 -0.906 -0.744 -0.567 -0.376 -0.170 9.084 7.886 6.689 5.611 4.665 3.836 3.107 2.459 1.878 1.350 0.868 0.425 0.019 -0.351 -0.683 -1.226 -1.312 -1.390 -1.459 -1.519 -1.567 -1.604 -1.629 -1.640 -1.636 -1.617 -1.582 -1.531 -1.463 -1.379 -1.278 -1.163 -1.032 -0.886 -0.726 -0.551 8.925 7.853 6.715 5.674 4.754 3.948 3.240 2.616 2.059 1.559 1.106 0.692 0.313 -0.033 -0.349 -0.896 -0.992 -1.084 -1.173 -1.257 -1.338 -1.414 -1.486 -1.554 -1.618 -1.678 -1.733 -1.784 -1.830 -1.871 -1.907 -1.937 -1.962 -1.981 -1.995 -2.002 8.658 7.730 6.660 5.661 4.772 3.991 3.306 2.704 2.171 1.695 1.267 0.880 0.527 0.205 -0.089 -0.602 -0.694 -0.783 -0.868 -0.951 -1.032 -1.109 -1.184 -1.257 -1.327 -1.395 -1.461 -1.525 -1.587 -1.647 -1.705 -1.761 -1.815 -1.867 -1.917 -1.966 8.306 7.533 6.540 5.588 4.732 3.979 3.318 2.738 2.227 1.775 1.370 1.007 0.678 0.380 0.108 -0.365 -0.450 -0.532 -0.612 -0.688 -0.763 -0.835 -0.905 -0.973 -1.040 -1.105 -1.168 -1.230 -1.290 -1.349 -1.408 -1.465 -1.521 -1.576 -1.631 -1.685 7.884 7.277 6.366 5.465 4.646 3.922 3.286 2.729 2.240 1.809 1.426 1.085 0.779 0.502 0.252 -0.181 -0.258 -0.333 -0.405 -0.475 -0.542 -0.608 -0.671 -0.733 -0.793 -0.852 -0.909 -0.966 -1.021 -1.075 -1.128 -1.180 -1.232 -1.283 -1.334 -1.384 7.405 6.971 6.147 5.301 4.521 3.827 3.217 2.684 2.216 1.806 1.444 1.124 0.838 0.583 0.353 -0.041 -0.111 -0.179 -0.244 -0.307 -0.367 -0.426 -0.482 -0.537 -0.591 -0.643 -0.694 -0.743 -0.792 -0.840 -0.887 -0.933 -0.979 -1.024 -1.069 -1.113 6.878 6.624 5.890 5.101 4.363 3.701 3.118 2.608 2.162 1.772 1.431 1.130 0.864 0.628 0.418 0.060 -0.003 -0.064 -0.122 -0.178 -0.231 -0.283 -0.333 -0.382 -0.429 -0.474 -0.519 -0.562 -0.604 -0.646 -0.686 -0.726 -0.765 -0.804 -0.843 -0.881 6.310 6.241 5.601 4.871 4.176 3.548 2.993 2.507 2.083 1.713 1.390 1.109 0.861 0.644 0.451 0.128 0.072 0.018 -0.033 -0.082 -0.130 -0.175 -0.219 -0.261 -0.302 -0.341 -0.380 -0.417 -0.453 -0.488 -0.523 -0.557 -0.590 -0.623 -0.656 -0.688 99999.999 5.828 5.284 4.615 3.964 3.371 2.845 2.383 1.981 1.631 1.327 1.064 0.834 0.634 0.459 0.169 0.119 0.072 0.027 -0.017 -0.058 -0.097 -0.135 -0.171 -0.206 -0.240 -0.272 -0.304 -0.334 -0.364 -0.393 -0.421 -0.449 -0.476 -0.504 -0.530 julgoldite Ca4Fe6Si6O28H7 P-T:All Wt.(g/mol) = 1119.928 V(cc/mol) = 310.800 D(g/cc) = 3.603 Ref: H&P2011 6 4.000 9 6.000 11 6.000 7 2.000 2 1.000 31 -20.000 1 28.666 25.067 21.839 19.088 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.666 25.067 21.839 19.088 16.753 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.669 25.070 21.843 19.091 16.756 14.753 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.674 25.076 21.849 19.097 16.762 14.760 13.007 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.684 25.086 21.859 19.107 16.773 14.771 13.019 11.445 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.699 25.102 21.876 19.124 16.790 14.789 13.037 11.465 10.012 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.720 25.126 21.900 19.149 16.815 14.815 13.065 11.495 10.045 8.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.751 25.160 21.934 19.184 16.851 14.852 13.104 11.538 10.092 8.703 7.292 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.792 25.205 21.981 19.231 16.900 14.902 13.158 11.596 10.156 8.776 7.380 5.884 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.845 25.264 22.042 19.294 16.964 14.969 13.229 11.672 10.241 8.873 7.496 6.030 4.424 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.911 25.339 22.120 19.373 17.045 15.054 13.319 11.770 10.349 8.996 7.644 6.217 4.658 3.027 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 28.991 25.431 22.216 19.471 17.146 15.159 13.431 11.892 10.484 9.150 7.829 6.451 4.957 3.324 2.013 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.048 25.499 22.287 19.545 17.222 15.239 13.515 11.983 10.585 9.266 7.967 6.626 5.185 3.590 1.774 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.124 25.590 22.385 19.646 17.327 15.348 13.632 12.111 10.726 9.426 8.159 6.868 5.502 3.990 2.039 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.193 25.676 22.477 19.742 17.426 15.453 13.744 12.232 10.861 9.580 8.342 7.099 5.804 4.389 2.518 23.061 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.254 25.755 22.563 19.832 17.521 15.553 13.852 12.349 10.990 9.727 8.516 7.317 6.091 4.775 3.056 10.976 16.522 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.308 25.829 22.645 19.918 17.612 15.649 13.954 12.461 11.115 9.868 8.683 7.524 6.361 5.140 3.594 8.119 10.319 13.908 18.762 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.355 25.897 22.721 20.000 17.697 15.740 14.052 12.569 11.234 10.004 8.842 7.720 6.614 5.482 4.107 6.923 8.053 9.824 12.406 15.689 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.396 25.959 22.793 20.077 17.779 15.827 14.146 12.672 11.348 10.134 8.994 7.906 6.850 5.798 4.582 6.318 6.966 7.967 9.422 11.389 13.780 16.282 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.430 26.017 22.859 20.149 17.857 15.910 14.236 12.770 11.458 10.258 9.139 8.081 7.070 6.089 5.012 5.994 6.380 6.985 7.868 9.080 10.636 12.467 14.400 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.458 26.069 22.922 20.218 17.930 15.989 14.322 12.865 11.564 10.377 9.277 8.246 7.275 6.353 5.396 5.825 6.051 6.425 6.983 7.761 8.783 10.047 11.501 13.042 14.540 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.480 26.116 22.980 20.282 18.000 16.064 14.404 12.955 11.665 10.492 9.409 8.402 7.464 6.592 5.734 5.750 5.870 6.098 6.455 6.966 7.651 8.522 9.569 10.756 12.019 13.280 14.471 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.497 26.158 23.033 20.342 18.065 16.136 14.482 13.042 11.762 10.602 9.535 8.549 7.640 6.808 6.027 5.735 5.783 5.912 6.136 6.472 6.937 7.542 8.291 9.174 10.165 11.224 12.303 13.362 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.507 26.196 23.083 20.399 18.128 16.204 14.557 13.125 11.855 10.707 9.655 8.688 7.802 7.002 6.279 5.761 5.757 5.816 5.948 6.165 6.479 6.900 7.435 8.085 8.841 9.685 10.590 11.529 12.476 13.414 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 29.513 26.229 23.128 20.452 18.186 16.268 14.628 13.204 11.944 10.808 9.770 8.819 7.952 7.177 6.494 5.815 5.772 5.781 5.846 5.979 6.186 6.477 6.858 7.334 7.903 8.559 9.289 10.077 10.905 11.759 12.627 99999.999 99999.999 99999.999 99999.999 99999.999 29.513 26.257 23.169 20.501 18.241 16.329 14.696 13.280 12.030 10.905 9.880 8.943 8.093 7.335 6.677 5.888 5.817 5.788 5.805 5.875 6.005 6.201 6.469 6.815 7.239 7.742 8.318 8.959 9.655 10.395 11.170 11.974 12.805 99999.999 99999.999 99999.999 29.507 26.282 23.207 20.546 18.293 16.387 14.761 13.353 12.112 10.998 9.985 9.061 8.224 7.479 6.836 5.975 5.883 5.824 5.805 5.829 5.901 6.026 6.211 6.458 6.771 7.152 7.600 8.111 8.681 9.303 9.971 10.679 11.425 12.208 99999.999 99999.999 29.497 26.302 23.241 20.588 18.342 16.442 14.823 13.422 12.191 11.087 10.086 9.174 8.348 7.612 6.976 6.072 5.963 5.883 5.836 5.824 5.852 5.924 6.044 6.217 6.444 6.729 7.073 7.475 7.933 8.445 9.007 9.614 10.265 10.958 11.693 12.471 29.482 26.318 23.271 20.627 18.387 16.494 14.881 13.489 12.266 11.173 10.183 9.282 8.466 7.738 7.106 6.176 6.054 5.957 5.888 5.849 5.844 5.875 5.946 6.060 6.220 6.429 6.690 7.001 7.365 7.779 8.243 8.754 9.310 9.911 10.555 11.243 29.086 26.279 23.397 20.853 18.688 16.861 15.316 13.998 12.861 11.863 10.976 10.179 9.462 8.819 8.247 7.307 7.150 7.003 6.866 6.738 6.621 6.514 6.417 6.331 6.255 6.191 6.139 6.100 6.074 6.062 6.065 6.084 6.119 6.172 6.243 6.332 28.317 25.933 23.250 20.828 18.752 16.999 15.524 14.279 13.218 12.304 11.506 10.802 10.178 9.622 9.130 8.311 8.170 8.037 7.909 7.788 7.672 7.562 7.456 7.356 7.259 7.167 7.078 6.994 6.913 6.835 6.762 6.692 6.625 6.562 6.503 6.448 27.253 25.341 22.887 20.604 18.629 16.958 15.556 14.381 13.393 12.555 11.837 11.217 10.677 10.204 9.791 9.115 9.000 8.891 8.788 8.689 8.594 8.503 8.416 8.332 8.250 8.171 8.093 8.018 7.943 7.869 7.796 7.723 7.650 7.577 7.503 7.429 25.950 24.551 22.347 20.219 18.354 16.772 15.446 14.342 13.423 12.656 12.012 11.468 11.005 10.610 10.272 9.738 9.650 9.568 9.490 9.416 9.346 9.280 9.217 9.156 9.098 9.041 8.985 8.930 8.876 8.822 8.767 8.713 8.657 8.600 8.541 8.480 24.452 23.598 21.661 19.700 17.954 16.465 15.219 14.187 13.336 12.636 12.061 11.587 11.195 10.872 10.605 10.207 10.145 10.088 10.036 9.987 9.943 9.901 9.862 9.826 9.791 9.758 9.726 9.695 9.664 9.633 9.602 9.570 9.536 9.502 9.465 9.427 22.792 22.508 20.853 19.069 17.449 16.058 14.894 13.935 13.151 12.517 12.006 11.598 11.273 11.016 10.815 10.545 10.508 10.476 10.447 10.423 10.402 10.385 10.369 10.356 10.345 10.335 10.326 10.318 10.310 10.302 10.294 10.284 10.274 10.262 10.248 10.233 20.994 21.303 19.941 18.341 16.853 15.565 14.487 13.601 12.885 12.314 11.866 11.519 11.256 11.061 10.922 10.773 10.759 10.750 10.745 10.744 10.745 10.750 10.757 10.766 10.776 10.788 10.801 10.815 10.828 10.842 10.855 10.867 10.878 10.888 10.896 10.902 99999.999 20.001 18.940 17.530 16.180 14.998 14.007 13.197 12.549 12.041 11.653 11.365 11.160 11.024 10.943 10.907 10.915 10.928 10.945 10.964 10.987 11.013 11.041 11.070 11.101 11.134 11.167 11.200 11.234 11.267 11.300 11.332 11.363 11.393 11.420 11.446 julgoldite Ca4Fe6Si6O28H7 P-T:All Wt.(g/mol) = 1119.928 V(cc/mol) = 310.800 D(g/cc) = 3.603 Ref: H&P2011 7 4.000 9 6.000 11 6.000 7 2.000 2 0.500 4 -0.500 6 -19.500 1 104.715 94.225 85.059 77.144 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 104.715 94.225 85.059 77.144 70.277 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 104.719 94.229 85.063 77.148 70.281 64.262 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 104.726 94.237 85.071 77.156 70.289 64.270 58.927 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 104.738 94.249 85.083 77.169 70.302 64.283 58.941 54.133 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 104.757 94.269 85.103 77.189 70.322 64.304 58.963 54.157 49.766 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 104.785 94.299 85.133 77.219 70.352 64.336 58.996 54.192 49.805 45.721 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 104.824 94.341 85.176 77.262 70.396 64.380 59.043 54.242 49.860 45.783 41.890 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 104.878 94.398 85.234 77.320 70.455 64.441 59.106 54.310 49.935 45.868 41.992 38.180 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 104.947 94.473 85.310 77.396 70.532 64.520 59.190 54.400 50.033 45.980 42.125 38.348 34.551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 105.035 94.568 85.407 77.494 70.631 64.622 59.297 54.515 50.159 46.123 42.295 38.562 34.823 31.068 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 105.142 94.686 85.527 77.616 70.755 64.750 59.432 54.659 50.317 46.301 42.508 38.830 35.168 31.443 27.947 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 105.221 94.774 85.618 77.708 70.849 64.847 59.533 54.768 50.436 46.436 42.667 39.030 35.429 31.761 27.844 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 105.327 94.895 85.743 77.835 70.979 64.981 59.675 54.920 50.602 46.623 42.888 39.307 35.791 32.228 28.243 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 105.426 95.009 85.862 77.957 71.103 65.110 59.811 55.066 50.762 46.803 43.100 39.571 36.135 32.686 28.826 44.398 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 105.518 95.117 85.976 78.074 71.223 65.235 59.942 55.206 50.916 46.976 43.302 39.821 36.461 33.125 29.449 33.386 37.772 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 105.602 95.220 86.084 78.185 71.338 65.354 60.068 55.342 51.064 47.142 43.496 40.060 36.769 33.540 30.062 30.842 32.175 34.772 38.445 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 105.680 95.316 86.188 78.292 71.449 65.469 60.189 55.473 51.207 47.302 43.682 40.286 37.058 33.928 30.641 29.826 30.183 31.132 32.815 35.097 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 105.750 95.407 86.286 78.394 71.554 65.580 60.307 55.599 51.345 47.456 43.860 40.500 37.328 34.287 31.175 29.350 29.270 29.521 30.191 31.325 32.820 34.363 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 105.815 95.492 86.379 78.492 71.656 65.686 60.419 55.720 51.478 47.604 44.030 40.703 37.581 34.617 31.659 29.126 28.811 28.706 28.862 29.323 30.094 31.101 32.172 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 105.873 95.572 86.468 78.585 71.753 65.788 60.528 55.837 51.606 47.747 44.194 40.896 37.816 34.919 32.093 29.041 28.584 28.273 28.138 28.212 28.512 29.030 29.714 30.461 31.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 105.925 95.647 86.552 78.675 71.847 65.886 60.632 55.950 51.730 47.885 44.350 41.078 38.036 35.194 32.476 29.039 28.489 28.048 27.735 27.571 27.573 27.748 28.084 28.544 29.065 29.575 30.011 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 105.971 95.717 86.631 78.760 71.936 65.981 60.733 56.059 51.849 48.018 44.500 41.251 38.240 35.444 32.811 29.088 28.476 27.948 27.518 27.200 27.007 26.949 27.027 27.229 27.529 27.889 28.264 28.619 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 106.011 95.783 86.707 78.841 72.022 66.071 60.830 56.164 51.964 48.146 44.644 41.415 38.430 35.670 33.102 29.172 28.515 27.927 27.418 26.995 26.670 26.451 26.342 26.343 26.445 26.629 26.871 27.145 27.429 27.709 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 106.046 95.843 86.778 78.918 72.104 66.158 60.923 56.265 52.076 48.269 44.782 41.571 38.608 35.875 33.353 29.278 28.590 27.959 27.392 26.897 26.479 26.146 25.904 25.754 25.696 25.721 25.819 25.974 26.171 26.397 26.643 99999.999 99999.999 99999.999 99999.999 99999.999 106.075 95.899 86.845 78.991 72.182 66.242 61.013 56.363 52.183 48.388 44.915 41.719 38.774 36.063 33.572 29.401 28.688 28.026 27.418 26.869 26.385 25.970 25.630 25.368 25.185 25.080 25.048 25.082 25.172 25.309 25.486 25.699 25.948 99999.999 99999.999 99999.999 106.099 95.951 86.908 79.061 72.257 66.322 61.099 56.457 52.286 48.503 45.042 41.861 38.931 36.235 33.762 29.533 28.804 28.118 27.480 26.892 26.358 25.883 25.471 25.124 24.846 24.636 24.495 24.419 24.404 24.444 24.534 24.671 24.853 25.080 99999.999 99999.999 106.118 95.998 86.968 79.127 72.329 66.399 61.182 56.548 52.386 48.614 45.166 41.997 39.080 36.396 33.934 29.673 28.931 28.228 27.567 26.949 26.379 25.859 25.391 24.981 24.629 24.337 24.107 23.938 23.829 23.776 23.777 23.830 23.932 24.085 24.288 24.545 106.132 96.042 87.024 79.190 72.397 66.473 61.262 56.635 52.483 48.721 45.284 42.129 39.223 36.549 34.093 29.818 29.066 28.350 27.671 27.032 26.433 25.879 25.370 24.910 24.501 24.145 23.844 23.598 23.407 23.271 23.189 23.160 23.182 23.255 23.380 23.557 106.024 96.269 87.397 79.649 72.919 67.052 61.904 57.347 53.278 49.612 46.282 43.238 40.442 37.867 35.492 31.271 30.503 29.757 29.034 28.333 27.653 26.994 26.354 25.735 25.136 24.557 23.998 23.460 22.942 22.446 21.972 21.521 21.093 20.689 20.309 19.954 105.537 96.180 87.489 79.848 73.195 67.394 62.308 57.818 53.823 50.240 47.000 44.051 41.353 38.873 36.588 32.519 31.775 31.052 30.349 29.664 28.997 28.347 27.712 27.093 26.488 25.898 25.320 24.755 24.203 23.662 23.133 22.615 22.109 21.613 21.128 20.653 104.750 95.839 87.358 79.842 73.277 67.548 62.527 58.102 54.175 50.666 47.506 44.641 42.029 39.637 37.437 33.528 32.815 32.121 31.446 30.789 30.149 29.525 28.916 28.321 27.739 27.169 26.611 26.064 25.527 25.000 24.481 23.971 23.469 22.974 22.486 22.005 103.721 95.296 87.044 79.667 73.201 67.550 62.598 58.237 54.375 50.933 47.845 45.056 42.523 40.209 38.088 34.331 33.647 32.983 32.337 31.709 31.098 30.502 29.920 29.353 28.799 28.256 27.725 27.204 26.693 26.191 25.697 25.211 24.733 24.260 23.794 23.332 102.494 94.584 86.580 79.354 72.995 67.427 62.546 58.250 54.451 51.073 48.051 45.331 42.868 40.627 38.578 34.963 34.307 33.670 33.052 32.451 31.867 31.298 30.744 30.204 29.676 29.161 28.656 28.162 27.678 27.203 26.736 26.276 25.824 25.378 24.937 24.502 101.101 93.732 85.989 78.924 72.678 67.199 62.392 58.162 54.425 51.108 48.147 45.490 43.093 40.918 38.936 35.453 34.822 34.211 33.618 33.043 32.484 31.941 31.412 30.897 30.394 29.904 29.424 28.956 28.497 28.046 27.605 27.171 26.744 26.323 25.908 25.499 99.569 92.763 85.292 78.394 72.268 66.881 62.150 57.988 54.313 51.055 48.153 45.555 43.218 41.104 39.183 35.822 35.216 34.629 34.060 33.508 32.972 32.452 31.947 31.454 30.975 30.508 30.052 29.606 29.170 28.743 28.324 27.914 27.510 27.112 26.721 26.335 99999.999 91.693 84.502 77.778 71.777 66.486 61.834 57.741 54.128 50.928 48.082 45.540 43.259 41.202 39.338 36.090 35.506 34.941 34.394 33.864 33.351 32.852 32.368 31.897 31.439 30.993 30.558 30.133 29.718 29.312 28.915 28.525 28.142 27.765 27.395 27.030 kalsilite KAlSiO4 P-T:All Wt.(g/mol) = 158.170 V(cc/mol) = 60.520 D(g/cc) = 2.614 Ref: H&P2011 4 1.000 12 1.000 8 1.000 7 -4.000 1 13.687 11.839 10.209 8.789 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.687 11.839 10.209 8.789 7.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.688 11.840 10.210 8.790 7.547 6.448 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.690 11.842 10.212 8.792 7.549 6.450 5.465 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.693 11.845 10.215 8.795 7.552 6.453 5.468 4.574 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.698 11.850 10.220 8.800 7.557 6.458 5.474 4.579 3.755 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.705 11.858 10.228 8.808 7.565 6.466 5.482 4.588 3.764 2.991 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.715 11.869 10.239 8.818 7.576 6.477 5.493 4.600 3.777 3.005 2.264 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.730 11.884 10.253 8.833 7.591 6.492 5.509 4.616 3.794 3.025 2.286 1.559 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.748 11.903 10.273 8.853 7.610 6.512 5.529 4.638 3.818 3.050 2.316 1.595 0.878 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.771 11.928 10.298 8.878 7.635 6.538 5.556 4.666 3.848 3.083 2.354 1.640 0.932 0.256 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.801 11.959 10.330 8.910 7.667 6.570 5.589 4.701 3.885 3.125 2.402 1.698 1.002 0.315 -0.197 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.822 11.983 10.354 8.934 7.691 6.594 5.614 4.727 3.914 3.156 2.438 1.742 1.055 0.372 -0.294 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.853 12.016 10.387 8.967 7.725 6.629 5.650 4.765 3.954 3.200 2.488 1.803 1.131 0.462 -0.261 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.881 12.048 10.420 9.000 7.758 6.662 5.685 4.801 3.993 3.243 2.537 1.861 1.205 0.553 -0.164 5.174 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.909 12.079 10.451 9.032 7.790 6.695 5.718 4.836 4.030 3.284 2.584 1.917 1.275 0.643 -0.046 1.626 3.161 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.935 12.108 10.482 9.062 7.821 6.727 5.751 4.871 4.067 3.324 2.629 1.971 1.342 0.730 0.075 0.800 1.346 2.316 3.732 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.959 12.137 10.511 9.092 7.851 6.757 5.783 4.904 4.103 3.363 2.672 2.022 1.406 0.812 0.192 0.446 0.684 1.113 1.794 2.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.983 12.164 10.540 9.121 7.881 6.787 5.814 4.937 4.137 3.400 2.715 2.072 1.465 0.889 0.303 0.261 0.360 0.564 0.907 1.413 2.072 2.811 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.005 12.190 10.567 9.149 7.909 6.816 5.844 4.968 4.171 3.437 2.755 2.118 1.522 0.960 0.404 0.157 0.180 0.269 0.442 0.719 1.108 1.598 2.149 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.026 12.216 10.594 9.177 7.937 6.845 5.873 4.999 4.204 3.472 2.794 2.163 1.575 1.025 0.495 0.098 0.074 0.095 0.173 0.320 0.544 0.850 1.226 1.650 2.089 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.046 12.240 10.620 9.203 7.964 6.872 5.902 5.029 4.236 3.507 2.832 2.206 1.624 1.085 0.576 0.066 0.011 -0.011 0.008 0.075 0.198 0.381 0.624 0.920 1.255 1.608 1.961 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.065 12.264 10.645 9.229 7.990 6.899 5.930 5.058 4.267 3.540 2.869 2.247 1.671 1.140 0.647 0.053 -0.024 -0.075 -0.096 -0.081 -0.024 0.077 0.226 0.423 0.660 0.929 1.218 1.515 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.082 12.286 10.669 9.254 8.015 6.925 5.957 5.087 4.297 3.573 2.904 2.286 1.714 1.190 0.709 0.052 -0.041 -0.113 -0.161 -0.182 -0.171 -0.125 -0.042 0.080 0.239 0.432 0.652 0.892 1.145 1.404 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.099 12.308 10.693 9.278 8.040 6.951 5.983 5.115 4.326 3.604 2.939 2.323 1.755 1.235 0.762 0.059 -0.046 -0.133 -0.201 -0.247 -0.268 -0.262 -0.226 -0.159 -0.059 0.071 0.230 0.412 0.614 0.830 1.058 99999.999 99999.999 99999.999 99999.999 99999.999 14.115 12.329 10.716 9.301 8.064 6.976 6.009 5.142 4.355 3.635 2.972 2.359 1.794 1.277 0.809 0.072 -0.041 -0.140 -0.223 -0.288 -0.333 -0.355 -0.354 -0.327 -0.273 -0.192 -0.085 0.047 0.199 0.370 0.558 0.759 0.972 99999.999 99999.999 99999.999 14.129 12.349 10.737 9.324 8.088 7.000 6.034 5.168 4.383 3.665 3.004 2.394 1.831 1.316 0.849 0.091 -0.030 -0.138 -0.232 -0.311 -0.374 -0.418 -0.442 -0.446 -0.426 -0.384 -0.318 -0.230 -0.121 0.008 0.155 0.317 0.495 0.686 99999.999 99999.999 14.143 12.368 10.759 9.347 8.111 7.023 6.059 5.194 4.411 3.694 3.036 2.427 1.866 1.352 0.886 0.112 -0.014 -0.129 -0.232 -0.322 -0.398 -0.459 -0.503 -0.529 -0.537 -0.524 -0.492 -0.439 -0.367 -0.275 -0.166 -0.040 0.102 0.259 0.431 0.618 14.155 12.387 10.779 9.368 8.133 7.046 6.082 5.219 4.437 3.723 3.066 2.460 1.901 1.387 0.921 0.136 0.006 -0.115 -0.225 -0.324 -0.410 -0.484 -0.543 -0.588 -0.616 -0.627 -0.621 -0.597 -0.556 -0.496 -0.420 -0.326 -0.217 -0.093 0.046 0.200 14.236 12.532 10.950 9.551 8.325 7.246 6.291 5.439 4.671 3.973 3.335 2.747 2.205 1.704 1.243 0.428 0.282 0.141 0.005 -0.125 -0.251 -0.371 -0.487 -0.597 -0.701 -0.801 -0.895 -0.983 -1.066 -1.143 -1.213 -1.278 -1.336 -1.388 -1.433 -1.472 14.244 12.618 11.068 9.686 8.470 7.400 6.454 5.612 4.856 4.173 3.550 2.978 2.452 1.967 1.517 0.717 0.571 0.429 0.291 0.158 0.028 -0.099 -0.221 -0.341 -0.457 -0.570 -0.680 -0.786 -0.890 -0.992 -1.090 -1.186 -1.279 -1.369 -1.457 -1.542 14.196 12.657 11.143 9.781 8.578 7.518 6.582 5.749 5.004 4.332 3.723 3.166 2.655 2.184 1.748 0.970 0.828 0.689 0.554 0.423 0.296 0.171 0.050 -0.069 -0.185 -0.298 -0.409 -0.518 -0.624 -0.729 -0.831 -0.932 -1.031 -1.128 -1.224 -1.319 14.102 12.657 11.184 9.845 8.656 7.608 6.681 5.857 5.122 4.461 3.864 3.320 2.822 2.364 1.942 1.188 1.050 0.915 0.785 0.658 0.534 0.413 0.295 0.180 0.067 -0.043 -0.151 -0.257 -0.361 -0.464 -0.564 -0.663 -0.761 -0.857 -0.953 -1.047 13.970 12.625 11.197 9.882 8.710 7.673 6.756 5.942 5.216 4.565 3.978 3.446 2.960 2.514 2.104 1.373 1.240 1.110 0.984 0.861 0.741 0.625 0.511 0.399 0.291 0.184 0.080 -0.022 -0.123 -0.221 -0.318 -0.414 -0.508 -0.601 -0.693 -0.784 13.807 12.567 11.185 9.897 8.742 7.718 6.812 6.007 5.290 4.648 4.071 3.549 3.074 2.639 2.240 1.532 1.403 1.277 1.155 1.037 0.921 0.808 0.698 0.591 0.486 0.384 0.284 0.185 0.089 -0.006 -0.099 -0.190 -0.281 -0.370 -0.458 -0.545 13.617 12.486 11.153 9.892 8.756 7.746 6.851 6.056 5.348 4.715 4.146 3.633 3.168 2.744 2.355 1.667 1.542 1.421 1.302 1.188 1.076 0.967 0.861 0.758 0.657 0.558 0.462 0.367 0.275 0.184 0.094 0.007 -0.080 -0.165 -0.249 -0.332 99999.999 12.386 11.103 9.871 8.755 7.759 6.875 6.090 5.390 4.766 4.206 3.701 3.245 2.830 2.451 1.782 1.661 1.543 1.429 1.318 1.210 1.105 1.002 0.902 0.805 0.710 0.617 0.526 0.437 0.349 0.264 0.179 0.096 0.015 -0.066 -0.145 kaolinite Al2Si2O9H4 P-T:All Wt.(g/mol) = 258.160 V(cc/mol) = 99.340 D(g/cc) = 2.599 Ref: H&P2011 4 2.000 8 2.000 7 1.000 2 -6.000 1 5.990 3.791 1.822 0.105 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.990 3.791 1.822 0.105 -1.394 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.991 3.793 1.824 0.107 -1.392 -2.716 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.994 3.796 1.827 0.110 -1.389 -2.712 -3.899 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.998 3.800 1.832 0.115 -1.384 -2.707 -3.893 -4.975 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.005 3.808 1.840 0.123 -1.376 -2.699 -3.884 -4.966 -5.970 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.014 3.820 1.852 0.135 -1.363 -2.686 -3.871 -4.951 -5.954 -6.908 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.028 3.836 1.869 0.153 -1.346 -2.668 -3.852 -4.931 -5.932 -6.883 -7.816 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.047 3.858 1.892 0.176 -1.321 -2.643 -3.826 -4.904 -5.902 -6.850 -7.777 -8.716 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.072 3.887 1.923 0.208 -1.290 -2.610 -3.792 -4.867 -5.863 -6.806 -7.726 -8.654 -9.596 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.103 3.925 1.962 0.248 -1.249 -2.568 -3.748 -4.820 -5.812 -6.750 -7.660 -8.574 -9.503 -10.381 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.141 3.971 2.011 0.298 -1.197 -2.515 -3.692 -4.761 -5.749 -6.679 -7.578 -8.473 -9.381 -10.286 -10.841 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.170 4.006 2.048 0.336 -1.158 -2.475 -3.650 -4.717 -5.700 -6.625 -7.516 -8.397 -9.287 -10.188 -11.055 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.208 4.055 2.100 0.389 -1.104 -2.419 -3.592 -4.654 -5.633 -6.550 -7.429 -8.291 -9.153 -10.033 -11.020 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.244 4.101 2.150 0.441 -1.051 -2.364 -3.535 -4.594 -5.568 -6.478 -7.346 -8.189 -9.024 -9.872 -10.856 0.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.278 4.145 2.197 0.490 -1.000 -2.311 -3.479 -4.535 -5.504 -6.408 -7.265 -8.092 -8.901 -9.713 -10.650 -6.613 -3.414 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.309 4.187 2.244 0.538 -0.951 -2.260 -3.426 -4.478 -5.443 -6.341 -7.188 -7.999 -8.784 -9.559 -10.435 -8.274 -7.044 -4.969 -1.989 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.339 4.228 2.288 0.585 -0.903 -2.211 -3.374 -4.423 -5.384 -6.275 -7.113 -7.910 -8.673 -9.414 -10.224 -8.995 -8.380 -7.386 -5.887 -3.884 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.366 4.266 2.331 0.629 -0.857 -2.163 -3.324 -4.370 -5.326 -6.212 -7.042 -7.825 -8.568 -9.279 -10.027 -9.381 -9.043 -8.497 -7.676 -6.529 -5.072 -3.443 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.391 4.303 2.372 0.672 -0.812 -2.117 -3.275 -4.318 -5.270 -6.151 -6.973 -7.745 -8.470 -9.154 -9.846 -9.606 -9.421 -9.105 -8.621 -7.935 -7.023 -5.907 -4.662 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.414 4.338 2.411 0.714 -0.769 -2.071 -3.228 -4.268 -5.216 -6.091 -6.906 -7.668 -8.379 -9.040 -9.684 -9.742 -9.650 -9.468 -9.176 -8.750 -8.169 -7.427 -6.541 -5.556 -4.538 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.435 4.371 2.449 0.754 -0.727 -2.028 -3.182 -4.219 -5.163 -6.034 -6.843 -7.595 -8.293 -8.935 -9.541 -9.821 -9.792 -9.697 -9.524 -9.257 -8.881 -8.385 -7.769 -7.047 -6.246 -5.406 -4.564 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.454 4.403 2.485 0.793 -0.686 -1.985 -3.137 -4.171 -5.112 -5.978 -6.781 -7.526 -8.214 -8.841 -9.416 -9.865 -9.879 -9.844 -9.750 -9.586 -9.344 -9.012 -8.586 -8.067 -7.466 -6.800 -6.094 -5.370 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.471 4.433 2.520 0.831 -0.647 -1.944 -3.094 -4.125 -5.063 -5.924 -6.722 -7.460 -8.139 -8.755 -9.309 -9.883 -9.929 -9.936 -9.898 -9.806 -9.655 -9.435 -9.142 -8.774 -8.331 -7.822 -7.258 -6.655 -6.027 -5.384 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.487 4.461 2.554 0.867 -0.609 -1.905 -3.052 -4.081 -5.015 -5.872 -6.664 -7.397 -8.070 -8.678 -9.217 -9.884 -9.954 -9.992 -9.994 -9.954 -9.867 -9.728 -9.530 -9.271 -8.950 -8.568 -8.131 -7.647 -7.124 -6.572 -5.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.500 4.488 2.586 0.902 -0.572 -1.866 -3.011 -4.037 -4.968 -5.821 -6.609 -7.337 -8.004 -8.607 -9.139 -9.871 -9.960 -10.022 -10.054 -10.053 -10.013 -9.932 -9.804 -9.627 -9.397 -9.116 -8.783 -8.404 -7.982 -7.524 -7.036 -6.521 -5.982 99999.999 99999.999 99999.999 6.513 4.514 2.617 0.935 -0.537 -1.829 -2.972 -3.995 -4.922 -5.772 -6.555 -7.279 -7.942 -8.542 -9.071 -9.850 -9.952 -10.033 -10.088 -10.116 -10.112 -10.075 -9.999 -9.883 -9.724 -9.520 -9.272 -8.980 -8.647 -8.276 -7.871 -7.436 -6.972 -6.482 99999.999 99999.999 6.523 4.538 2.647 0.968 -0.502 -1.792 -2.934 -3.954 -4.878 -5.724 -6.504 -7.223 -7.883 -8.481 -9.010 -9.821 -9.935 -10.030 -10.103 -10.153 -10.177 -10.173 -10.138 -10.069 -9.964 -9.821 -9.640 -9.420 -9.162 -8.868 -8.539 -8.178 -7.787 -7.368 -6.921 -6.447 6.532 4.561 2.675 0.999 -0.469 -1.757 -2.896 -3.914 -4.835 -5.677 -6.453 -7.169 -7.826 -8.423 -8.954 -9.786 -9.910 -10.016 -10.104 -10.172 -10.218 -10.239 -10.235 -10.203 -10.140 -10.046 -9.918 -9.756 -9.561 -9.331 -9.069 -8.776 -8.453 -8.100 -7.720 -7.313 6.541 4.721 2.897 1.255 -0.191 -1.460 -2.579 -3.573 -4.465 -5.275 -6.015 -6.697 -7.324 -7.899 -8.425 -9.328 -9.486 -9.636 -9.778 -9.913 -10.040 -10.159 -10.270 -10.373 -10.467 -10.553 -10.630 -10.698 -10.756 -10.804 -10.841 -10.868 -10.884 -10.889 -10.882 -10.863 6.428 4.777 3.025 1.422 0.002 -1.245 -2.344 -3.316 -4.184 -4.966 -5.676 -6.326 -6.923 -7.471 -7.975 -8.859 -9.018 -9.171 -9.319 -9.462 -9.600 -9.733 -9.861 -9.985 -10.104 -10.220 -10.331 -10.438 -10.541 -10.641 -10.736 -10.828 -10.916 -11.000 -11.081 -11.158 6.219 4.750 3.078 1.519 0.129 -1.095 -2.173 -3.125 -3.971 -4.729 -5.413 -6.034 -6.603 -7.124 -7.603 -8.447 -8.600 -8.748 -8.891 -9.030 -9.165 -9.296 -9.424 -9.548 -9.669 -9.786 -9.901 -10.014 -10.124 -10.232 -10.337 -10.441 -10.543 -10.644 -10.743 -10.841 5.932 4.656 3.070 1.560 0.202 -0.998 -2.054 -2.986 -3.812 -4.548 -5.208 -5.805 -6.347 -6.843 -7.297 -8.098 -8.242 -8.383 -8.519 -8.651 -8.779 -8.904 -9.026 -9.144 -9.260 -9.373 -9.484 -9.592 -9.699 -9.804 -9.907 -10.009 -10.110 -10.210 -10.309 -10.407 5.582 4.506 3.012 1.554 0.231 -0.943 -1.978 -2.890 -3.697 -4.412 -5.051 -5.626 -6.145 -6.617 -7.048 -7.804 -7.940 -8.073 -8.201 -8.325 -8.446 -8.564 -8.678 -8.789 -8.898 -9.004 -9.108 -9.210 -9.310 -9.409 -9.506 -9.602 -9.697 -9.792 -9.885 -9.978 5.179 4.311 2.911 1.507 0.222 -0.925 -1.937 -2.830 -3.617 -4.314 -4.934 -5.487 -5.985 -6.436 -6.845 -7.559 -7.687 -7.812 -7.932 -8.049 -8.162 -8.272 -8.379 -8.483 -8.584 -8.683 -8.780 -8.875 -8.968 -9.060 -9.150 -9.239 -9.327 -9.414 -9.501 -9.587 4.732 4.077 2.774 1.428 0.180 -0.937 -1.927 -2.799 -3.568 -4.247 -4.848 -5.383 -5.862 -6.292 -6.681 -7.356 -7.477 -7.594 -7.706 -7.816 -7.921 -8.024 -8.124 -8.221 -8.315 -8.407 -8.497 -8.585 -8.671 -8.755 -8.839 -8.921 -9.002 -9.082 -9.162 -9.241 99999.999 3.810 2.607 1.319 0.112 -0.976 -1.942 -2.794 -3.544 -4.205 -4.790 -5.308 -5.769 -6.181 -6.551 -7.189 -7.303 -7.412 -7.518 -7.620 -7.719 -7.815 -7.908 -7.998 -8.085 -8.171 -8.254 -8.335 -8.415 -8.493 -8.570 -8.645 -8.720 -8.794 -8.867 -8.939 kyanite Al2SiO5 P-T:All Wt.(g/mol) = 162.050 V(cc/mol) = 44.140 D(g/cc) = 3.671 Ref: H&P2011 4 2.000 8 1.000 7 1.000 2 -6.000 1 15.850 12.506 9.588 7.048 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.850 12.506 9.588 7.048 4.820 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.851 12.508 9.589 7.050 4.821 2.842 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.854 12.511 9.592 7.052 4.824 2.845 1.062 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.858 12.515 9.597 7.057 4.829 2.850 1.067 -0.562 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.865 12.523 9.604 7.065 4.837 2.857 1.075 -0.553 -2.061 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.875 12.534 9.615 7.076 4.848 2.869 1.087 -0.540 -2.047 -3.467 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.890 12.549 9.631 7.092 4.864 2.886 1.105 -0.521 -2.027 -3.444 -4.811 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.910 12.571 9.653 7.114 4.887 2.909 1.129 -0.496 -1.999 -3.413 -4.774 -6.116 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.936 12.599 9.682 7.143 4.916 2.939 1.161 -0.462 -1.962 -3.372 -4.726 -6.058 -7.375 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.969 12.636 9.719 7.181 4.954 2.978 1.201 -0.418 -1.914 -3.319 -4.664 -5.982 -7.287 -8.509 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.010 12.681 9.766 7.228 5.002 3.027 1.253 -0.363 -1.855 -3.252 -4.586 -5.886 -7.171 -8.423 -9.280 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.041 12.716 9.802 7.264 5.038 3.065 1.292 -0.321 -1.809 -3.201 -4.527 -5.813 -7.081 -8.332 -9.512 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.085 12.764 9.851 7.314 5.090 3.118 1.347 -0.263 -1.746 -3.131 -4.444 -5.712 -6.953 -8.184 -9.492 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.126 12.811 9.900 7.363 5.140 3.169 1.401 -0.205 -1.684 -3.062 -4.365 -5.614 -6.829 -8.029 -9.339 1.586 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.165 12.857 9.947 7.411 5.188 3.219 1.453 -0.150 -1.624 -2.995 -4.288 -5.521 -6.710 -7.876 -9.142 -5.636 -2.483 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.203 12.900 9.992 7.458 5.235 3.268 1.504 -0.096 -1.565 -2.931 -4.214 -5.431 -6.597 -7.728 -8.934 -7.339 -6.194 -4.183 -1.241 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.239 12.943 10.037 7.503 5.282 3.315 1.554 -0.043 -1.509 -2.868 -4.142 -5.346 -6.490 -7.588 -8.730 -8.084 -7.566 -6.658 -5.233 -3.288 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.274 12.984 10.080 7.547 5.326 3.361 1.602 0.008 -1.453 -2.808 -4.073 -5.264 -6.389 -7.457 -8.538 -8.486 -8.251 -7.802 -7.069 -6.000 -4.611 -3.040 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.306 13.023 10.122 7.590 5.370 3.407 1.649 0.058 -1.399 -2.748 -4.007 -5.187 -6.294 -7.335 -8.362 -8.723 -8.644 -8.430 -8.043 -7.445 -6.615 -5.572 -4.394 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.338 13.062 10.162 7.631 5.413 3.450 1.695 0.107 -1.347 -2.691 -3.943 -5.112 -6.205 -7.224 -8.204 -8.868 -8.885 -8.809 -8.618 -8.286 -7.795 -7.136 -6.326 -5.413 -4.462 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.368 13.099 10.202 7.672 5.454 3.493 1.740 0.155 -1.296 -2.635 -3.881 -5.042 -6.122 -7.123 -8.065 -8.955 -9.037 -9.050 -8.980 -8.812 -8.530 -8.124 -7.592 -6.949 -6.223 -5.453 -4.680 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.396 13.134 10.240 7.711 5.495 3.535 1.784 0.201 -1.246 -2.581 -3.821 -4.974 -6.045 -7.031 -7.944 -9.006 -9.132 -9.206 -9.218 -9.156 -9.011 -8.772 -8.435 -8.001 -7.480 -6.892 -6.259 -5.607 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.423 13.169 10.277 7.750 5.535 3.576 1.827 0.246 -1.197 -2.528 -3.763 -4.910 -5.972 -6.948 -7.840 -9.030 -9.189 -9.307 -9.375 -9.388 -9.336 -9.213 -9.012 -8.732 -8.374 -7.947 -7.461 -6.934 -6.379 -5.808 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.449 13.202 10.313 7.788 5.573 3.616 1.868 0.290 -1.150 -2.477 -3.707 -4.848 -5.904 -6.872 -7.751 -9.036 -9.220 -9.370 -9.480 -9.545 -9.560 -9.518 -9.416 -9.249 -9.015 -8.719 -8.363 -7.958 -7.513 -7.036 -6.535 99999.999 99999.999 99999.999 99999.999 99999.999 16.473 13.235 10.349 7.824 5.611 3.655 1.909 0.333 -1.104 -2.427 -3.652 -4.789 -5.840 -6.804 -7.675 -9.028 -9.231 -9.405 -9.547 -9.651 -9.715 -9.734 -9.703 -9.619 -9.481 -9.287 -9.039 -8.742 -8.400 -8.019 -7.607 -7.166 -6.701 99999.999 99999.999 99999.999 16.496 13.266 10.383 7.860 5.648 3.693 1.949 0.376 -1.059 -2.378 -3.600 -4.732 -5.780 -6.740 -7.609 -9.010 -9.228 -9.421 -9.587 -9.721 -9.822 -9.886 -9.909 -9.888 -9.822 -9.708 -9.547 -9.340 -9.089 -8.798 -8.471 -8.112 -7.723 -7.306 99999.999 99999.999 16.518 13.296 10.416 7.894 5.683 3.730 1.988 0.417 -1.015 -2.331 -3.548 -4.677 -5.722 -6.681 -7.550 -8.984 -9.215 -9.423 -9.607 -9.765 -9.894 -9.992 -10.056 -10.084 -10.074 -10.023 -9.931 -9.797 -9.623 -9.411 -9.162 -8.880 -8.565 -8.221 -7.849 -7.447 16.538 13.325 10.448 7.928 5.718 3.766 2.026 0.457 -0.972 -2.284 -3.498 -4.624 -5.666 -6.624 -7.496 -8.953 -9.193 -9.413 -9.612 -9.788 -9.940 -10.065 -10.161 -10.227 -10.260 -10.258 -10.221 -10.148 -10.038 -9.893 -9.713 -9.499 -9.254 -8.979 -8.674 -8.341 16.684 13.565 10.724 8.223 6.026 4.087 2.361 0.813 -0.590 -1.873 -3.054 -4.148 -5.162 -6.102 -6.972 -8.510 -8.786 -9.053 -9.309 -9.556 -9.792 -10.019 -10.235 -10.442 -10.638 -10.823 -10.997 -11.160 -11.312 -11.452 -11.580 -11.696 -11.799 -11.889 -11.967 -12.031 16.736 13.726 10.929 8.450 6.269 4.343 2.632 1.100 -0.282 -1.541 -2.695 -3.759 -4.746 -5.661 -6.512 -8.036 -8.315 -8.587 -8.850 -9.106 -9.356 -9.598 -9.834 -10.063 -10.286 -10.503 -10.714 -10.919 -11.119 -11.313 -11.502 -11.686 -11.864 -12.037 -12.205 -12.368 16.715 13.825 11.077 8.624 6.460 4.549 2.851 1.335 -0.030 -1.268 -2.399 -3.439 -4.399 -5.290 -6.118 -7.608 -7.883 -8.150 -8.410 -8.663 -8.911 -9.152 -9.388 -9.619 -9.845 -10.065 -10.282 -10.494 -10.701 -10.906 -11.106 -11.303 -11.497 -11.688 -11.877 -12.062 16.635 13.872 11.179 8.756 6.611 4.714 3.030 1.528 0.178 -1.042 -2.153 -3.171 -4.109 -4.977 -5.783 -7.234 -7.501 -7.762 -8.015 -8.263 -8.505 -8.741 -8.972 -9.198 -9.420 -9.637 -9.850 -10.059 -10.264 -10.467 -10.666 -10.862 -11.056 -11.248 -11.437 -11.624 16.506 13.878 11.242 8.851 6.727 4.846 3.176 1.687 0.351 -0.853 -1.947 -2.946 -3.864 -4.712 -5.497 -6.909 -7.169 -7.422 -7.669 -7.910 -8.145 -8.375 -8.599 -8.819 -9.034 -9.246 -9.453 -9.656 -9.856 -10.053 -10.247 -10.438 -10.627 -10.814 -10.998 -11.181 16.339 13.850 11.274 8.916 6.815 4.950 3.294 1.818 0.496 -0.695 -1.774 -2.757 -3.657 -4.485 -5.252 -6.626 -6.879 -7.126 -7.366 -7.600 -7.828 -8.051 -8.269 -8.483 -8.691 -8.896 -9.097 -9.294 -9.488 -9.678 -9.866 -10.051 -10.234 -10.414 -10.593 -10.769 16.137 13.792 11.278 8.956 6.878 5.031 3.389 1.925 0.615 -0.563 -1.628 -2.596 -3.480 -4.292 -5.041 -6.382 -6.628 -6.867 -7.101 -7.328 -7.550 -7.767 -7.979 -8.186 -8.388 -8.587 -8.781 -8.972 -9.160 -9.344 -9.526 -9.705 -9.881 -10.055 -10.227 -10.397 99999.999 13.710 11.260 8.974 6.919 5.090 3.463 2.013 0.715 -0.452 -1.504 -2.459 -3.329 -4.126 -4.860 -6.169 -6.409 -6.642 -6.869 -7.091 -7.307 -7.517 -7.723 -7.924 -8.121 -8.314 -8.502 -8.687 -8.869 -9.048 -9.223 -9.396 -9.567 -9.735 -9.901 -10.066 larnite-bredigite Ca2SiO4 P-T:All Wt.(g/mol) = 172.240 V(cc/mol) = 51.600 D(g/cc) = 3.338 Ref: H&P2011 3 2.000 9 1.000 7 -4.000 1 42.924 39.137 35.885 33.086 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.924 39.137 35.885 33.086 30.657 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.925 39.138 35.886 33.087 30.657 28.527 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.927 39.139 35.887 33.088 30.659 28.529 26.641 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.929 39.142 35.890 33.091 30.661 28.531 26.644 24.954 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.934 39.146 35.894 33.095 30.665 28.535 26.648 24.958 23.429 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.940 39.152 35.900 33.101 30.671 28.541 26.654 24.965 23.436 22.034 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.949 39.161 35.908 33.109 30.680 28.550 26.663 24.974 23.446 22.046 20.741 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.961 39.173 35.920 33.120 30.691 28.561 26.675 24.987 23.460 22.061 20.760 19.525 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.977 39.189 35.935 33.136 30.706 28.577 26.691 25.004 23.478 22.082 20.784 19.555 18.371 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.998 39.209 35.955 33.155 30.725 28.597 26.712 25.026 23.502 22.108 20.815 19.594 18.420 17.283 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.023 39.234 35.980 33.179 30.750 28.621 26.738 25.053 23.532 22.142 20.854 19.643 18.482 17.351 16.291 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.042 39.253 35.998 33.198 30.768 28.640 26.757 25.074 23.554 22.167 20.884 19.679 18.529 17.409 16.279 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.068 39.280 36.024 33.224 30.794 28.666 26.784 25.103 23.585 22.201 20.924 19.730 18.594 17.492 16.353 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.093 39.305 36.049 33.248 30.819 28.692 26.811 25.131 23.615 22.235 20.964 19.778 18.656 17.575 16.458 18.210 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.116 39.329 36.073 33.272 30.843 28.716 26.836 25.158 23.645 22.267 21.001 19.824 18.715 17.653 16.569 16.401 16.970 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.138 39.352 36.096 33.295 30.866 28.740 26.861 25.184 23.673 22.299 21.037 19.867 18.771 17.728 16.678 15.984 16.051 16.328 16.776 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.159 39.374 36.119 33.317 30.889 28.763 26.885 25.209 23.700 22.329 21.072 19.909 18.823 17.797 16.781 15.820 15.726 15.733 15.863 16.090 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.179 39.395 36.140 33.339 30.910 28.785 26.908 25.234 23.727 22.358 21.105 19.948 18.873 17.862 16.876 15.746 15.579 15.471 15.436 15.480 15.582 15.689 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.198 39.415 36.161 33.360 30.931 28.807 26.930 25.257 23.752 22.386 21.137 19.986 18.919 17.922 16.962 15.713 15.508 15.341 15.222 15.156 15.143 15.169 15.206 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.215 39.434 36.180 33.380 30.951 28.827 26.952 25.280 23.777 22.414 21.168 20.022 18.962 17.976 17.040 15.704 15.475 15.275 15.107 14.978 14.888 14.837 14.815 14.803 14.781 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.232 39.453 36.199 33.399 30.971 28.847 26.973 25.303 23.801 22.440 21.197 20.056 19.003 18.026 17.109 15.708 15.464 15.242 15.045 14.877 14.739 14.633 14.555 14.500 14.455 14.409 14.351 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.247 39.470 36.217 33.417 30.990 28.867 26.993 25.324 23.824 22.465 21.226 20.088 19.040 18.072 17.169 15.721 15.467 15.231 15.015 14.821 14.651 14.507 14.387 14.291 14.213 14.146 14.083 14.017 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.262 39.487 36.235 33.435 31.008 28.886 27.013 25.345 23.847 22.490 21.253 20.119 19.076 18.114 17.222 15.739 15.478 15.232 15.003 14.792 14.600 14.430 14.280 14.152 14.042 13.949 13.866 13.790 13.717 13.645 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.275 39.503 36.252 33.452 31.026 28.904 27.032 25.365 23.869 22.514 21.279 20.148 19.109 18.152 17.268 15.761 15.495 15.242 15.003 14.780 14.574 14.385 14.214 14.061 13.926 13.807 13.702 13.609 13.524 13.445 13.372 99999.999 99999.999 99999.999 99999.999 99999.999 43.288 39.518 36.268 33.469 31.043 28.921 27.050 25.385 23.890 22.537 21.305 20.177 19.140 18.187 17.309 15.786 15.515 15.257 15.012 14.781 14.563 14.361 14.174 14.003 13.848 13.708 13.583 13.471 13.370 13.279 13.196 13.121 13.053 99999.999 99999.999 99999.999 43.299 39.533 36.283 33.485 31.059 28.938 27.068 25.404 23.910 22.560 21.329 20.204 19.170 18.219 17.344 15.812 15.539 15.277 15.027 14.789 14.564 14.351 14.153 13.968 13.797 13.641 13.499 13.369 13.252 13.146 13.050 12.964 12.887 12.820 99999.999 99999.999 43.310 39.546 36.298 33.500 31.075 28.955 27.085 25.422 23.930 22.581 21.353 20.230 19.198 18.249 17.376 15.840 15.564 15.300 15.046 14.803 14.572 14.352 14.145 13.949 13.767 13.597 13.441 13.297 13.165 13.044 12.935 12.836 12.747 12.669 12.600 12.543 43.320 39.559 36.312 33.515 31.090 28.971 27.102 25.440 23.950 22.602 21.376 20.255 19.225 18.278 17.407 15.868 15.591 15.324 15.067 14.821 14.585 14.360 14.146 13.943 13.751 13.571 13.403 13.247 13.102 12.968 12.846 12.734 12.633 12.543 12.462 12.393 43.376 39.653 36.421 33.633 31.215 29.103 27.243 25.592 24.114 22.783 21.574 20.472 19.461 18.531 17.674 16.146 15.867 15.596 15.333 15.078 14.829 14.587 14.352 14.124 13.902 13.686 13.477 13.274 13.077 12.886 12.701 12.522 12.349 12.183 12.023 11.869 43.365 39.693 36.483 33.707 31.299 29.195 27.343 25.702 24.236 22.917 21.724 20.637 19.643 18.729 17.887 16.387 16.112 15.845 15.586 15.333 15.087 14.848 14.614 14.386 14.164 13.947 13.735 13.528 13.326 13.128 12.935 12.746 12.561 12.380 12.204 12.030 43.302 39.689 36.506 33.746 31.349 29.254 27.412 25.780 24.324 23.018 21.837 20.764 19.784 18.885 18.057 16.584 16.315 16.053 15.799 15.551 15.310 15.075 14.846 14.623 14.405 14.192 13.983 13.780 13.581 13.386 13.195 13.007 12.824 12.644 12.467 12.293 43.197 39.650 36.497 33.756 31.372 29.288 27.455 25.833 24.387 23.090 21.921 20.860 19.893 19.007 18.193 16.746 16.482 16.225 15.976 15.733 15.497 15.267 15.042 14.824 14.611 14.402 14.199 14.000 13.805 13.615 13.428 13.245 13.066 12.890 12.717 12.547 43.057 39.581 36.463 33.742 31.372 29.300 27.477 25.864 24.428 23.141 21.982 20.932 19.977 19.103 18.301 16.877 16.618 16.366 16.121 15.883 15.651 15.426 15.206 14.993 14.784 14.580 14.381 14.187 13.997 13.811 13.629 13.451 13.276 13.105 12.936 12.771 42.888 39.489 36.406 33.708 31.354 29.294 27.482 25.878 24.451 23.174 22.024 20.985 20.039 19.176 18.385 16.983 16.728 16.481 16.240 16.007 15.779 15.558 15.343 15.133 14.929 14.730 14.535 14.345 14.159 13.978 13.800 13.626 13.456 13.289 13.125 12.964 42.694 39.376 36.332 33.656 31.319 29.273 27.471 25.878 24.459 23.191 22.051 21.020 20.085 19.232 18.450 17.069 16.818 16.574 16.338 16.108 15.884 15.667 15.456 15.250 15.050 14.854 14.664 14.478 14.296 14.118 13.945 13.775 13.608 13.445 13.285 13.129 99999.999 39.245 36.241 33.590 31.271 29.238 27.448 25.864 24.455 23.196 22.064 21.042 20.115 19.271 18.499 17.136 16.889 16.649 16.416 16.190 15.970 15.757 15.549 15.347 15.150 14.958 14.771 14.589 14.410 14.236 14.066 13.900 13.737 13.577 13.421 13.268 laumontite CaAl2Si4O16H8 P-T:All Wt.(g/mol) = 470.490 V(cc/mol) = 203.700 D(g/cc) = 2.310 Ref: H&P2011 4 1.000 9 2.000 8 4.000 7 -8.000 1 11.996 9.314 6.849 4.684 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.996 9.314 6.849 4.684 2.790 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.998 9.317 6.852 4.686 2.793 1.124 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.002 9.321 6.856 4.691 2.798 1.129 -0.364 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.008 9.329 6.864 4.699 2.806 1.137 -0.355 -1.713 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.018 9.341 6.877 4.711 2.818 1.150 -0.342 -1.699 -2.956 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.033 9.358 6.895 4.730 2.837 1.169 -0.322 -1.678 -2.934 -4.127 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.055 9.383 6.921 4.756 2.864 1.196 -0.294 -1.648 -2.902 -4.092 -5.262 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.083 9.418 6.957 4.793 2.901 1.234 -0.255 -1.607 -2.858 -4.044 -5.207 -6.388 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.121 9.462 7.004 4.840 2.949 1.283 -0.204 -1.554 -2.801 -3.981 -5.134 -6.302 -7.503 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.168 9.520 7.064 4.902 3.011 1.346 -0.139 -1.485 -2.728 -3.900 -5.041 -6.190 -7.371 -8.527 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.226 9.591 7.139 4.978 3.089 1.426 -0.056 -1.398 -2.635 -3.799 -4.925 -6.050 -7.201 -8.375 -9.231 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.269 9.644 7.196 5.036 3.148 1.486 0.006 -1.333 -2.565 -3.722 -4.837 -5.944 -7.070 -8.233 -9.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.326 9.717 7.274 5.117 3.230 1.570 0.093 -1.241 -2.467 -3.615 -4.715 -5.796 -6.887 -8.014 -9.313 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.380 9.787 7.350 5.195 3.309 1.652 0.178 -1.153 -2.373 -3.512 -4.597 -5.655 -6.710 -7.793 -9.069 3.272 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.430 9.854 7.422 5.269 3.386 1.730 0.259 -1.067 -2.281 -3.412 -4.484 -5.520 -6.541 -7.576 -8.785 -4.476 -1.014 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.476 9.917 7.491 5.342 3.460 1.806 0.338 -0.984 -2.192 -3.315 -4.375 -5.391 -6.381 -7.369 -8.494 -6.270 -4.968 -2.745 0.427 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.518 9.977 7.558 5.411 3.531 1.880 0.415 -0.903 -2.107 -3.222 -4.270 -5.268 -6.229 -7.173 -8.213 -7.027 -6.400 -5.358 -3.772 -1.658 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.557 10.035 7.622 5.478 3.600 1.951 0.489 -0.826 -2.024 -3.132 -4.169 -5.151 -6.087 -6.991 -7.951 -7.416 -7.092 -6.541 -5.692 -4.492 -2.969 -1.287 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.592 10.089 7.683 5.542 3.667 2.020 0.560 -0.750 -1.943 -3.044 -4.072 -5.039 -5.952 -6.821 -7.710 -7.628 -7.470 -7.170 -6.689 -5.988 -5.047 -3.894 -2.618 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.624 10.140 7.741 5.604 3.731 2.086 0.629 -0.677 -1.865 -2.960 -3.979 -4.933 -5.826 -6.666 -7.494 -7.744 -7.687 -7.534 -7.261 -6.842 -6.257 -5.501 -4.596 -3.595 -2.573 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.653 10.189 7.797 5.664 3.793 2.150 0.697 -0.606 -1.790 -2.878 -3.889 -4.831 -5.709 -6.523 -7.302 -7.800 -7.811 -7.751 -7.606 -7.360 -6.996 -6.504 -5.886 -5.157 -4.351 -3.511 -2.680 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.678 10.235 7.851 5.721 3.853 2.213 0.761 -0.538 -1.716 -2.799 -3.802 -4.734 -5.598 -6.393 -7.133 -7.817 -7.875 -7.879 -7.819 -7.685 -7.465 -7.150 -6.734 -6.220 -5.620 -4.957 -4.255 -3.541 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.701 10.278 7.902 5.776 3.910 2.273 0.824 -0.471 -1.646 -2.723 -3.719 -4.642 -5.495 -6.275 -6.987 -7.808 -7.900 -7.949 -7.949 -7.892 -7.770 -7.575 -7.302 -6.948 -6.515 -6.014 -5.457 -4.861 -4.242 -3.610 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.721 10.319 7.951 5.829 3.966 2.331 0.885 -0.407 -1.577 -2.648 -3.638 -4.554 -5.398 -6.167 -6.859 -7.781 -7.898 -7.980 -8.023 -8.021 -7.969 -7.859 -7.688 -7.451 -7.147 -6.780 -6.355 -5.880 -5.367 -4.824 -4.259 99999.999 99999.999 99999.999 99999.999 99999.999 12.737 10.357 7.998 5.880 4.020 2.387 0.944 -0.344 -1.510 -2.577 -3.560 -4.469 -5.306 -6.067 -6.748 -7.741 -7.877 -7.984 -8.059 -8.098 -8.096 -8.049 -7.952 -7.802 -7.596 -7.335 -7.019 -6.654 -6.245 -5.798 -5.318 -4.810 -4.277 99999.999 99999.999 99999.999 12.751 10.393 8.042 5.929 4.071 2.441 1.001 -0.284 -1.445 -2.507 -3.485 -4.388 -5.219 -5.975 -6.651 -7.692 -7.842 -7.969 -8.068 -8.137 -8.173 -8.172 -8.131 -8.046 -7.916 -7.737 -7.511 -7.238 -6.921 -6.564 -6.171 -5.744 -5.286 -4.799 99999.999 99999.999 12.763 10.426 8.085 5.976 4.121 2.494 1.057 -0.225 -1.382 -2.439 -3.412 -4.310 -5.136 -5.889 -6.563 -7.635 -7.797 -7.939 -8.057 -8.150 -8.215 -8.249 -8.251 -8.216 -8.142 -8.029 -7.873 -7.677 -7.439 -7.162 -6.848 -6.499 -6.117 -5.703 -5.258 -4.782 12.771 10.458 8.125 6.021 4.169 2.544 1.110 -0.168 -1.322 -2.374 -3.341 -4.235 -5.057 -5.807 -6.481 -7.574 -7.745 -7.898 -8.031 -8.142 -8.230 -8.292 -8.326 -8.330 -8.301 -8.238 -8.140 -8.005 -7.833 -7.625 -7.381 -7.103 -6.792 -6.449 -6.074 -5.669 12.727 10.659 8.428 6.377 4.561 2.965 1.559 0.312 -0.803 -1.813 -2.734 -3.580 -4.359 -5.076 -5.732 -6.875 -7.077 -7.271 -7.456 -7.633 -7.802 -7.962 -8.113 -8.256 -8.389 -8.514 -8.628 -8.733 -8.827 -8.911 -8.983 -9.044 -9.093 -9.129 -9.152 -9.163 12.481 10.688 8.575 6.590 4.815 3.252 1.877 0.661 -0.421 -1.393 -2.274 -3.078 -3.816 -4.494 -5.117 -6.217 -6.417 -6.609 -6.796 -6.976 -7.152 -7.321 -7.486 -7.646 -7.801 -7.952 -8.098 -8.240 -8.377 -8.511 -8.640 -8.766 -8.887 -9.005 -9.118 -9.228 12.076 10.580 8.599 6.687 4.962 3.436 2.092 0.906 -0.145 -1.083 -1.927 -2.694 -3.393 -4.033 -4.621 -5.661 -5.850 -6.033 -6.211 -6.383 -6.552 -6.715 -6.875 -7.030 -7.183 -7.331 -7.477 -7.620 -7.761 -7.899 -8.035 -8.169 -8.301 -8.431 -8.561 -8.689 11.543 10.361 8.522 6.692 5.020 3.534 2.224 1.069 0.049 -0.859 -1.670 -2.402 -3.065 -3.670 -4.224 -5.201 -5.378 -5.550 -5.716 -5.878 -6.036 -6.189 -6.339 -6.485 -6.629 -6.769 -6.906 -7.041 -7.174 -7.306 -7.435 -7.563 -7.690 -7.817 -7.942 -8.067 10.903 10.050 8.362 6.618 5.005 3.563 2.288 1.164 0.173 -0.704 -1.485 -2.185 -2.816 -3.389 -3.910 -4.825 -4.990 -5.150 -5.305 -5.456 -5.603 -5.745 -5.884 -6.020 -6.152 -6.282 -6.409 -6.534 -6.657 -6.779 -6.899 -7.017 -7.135 -7.252 -7.368 -7.483 10.176 9.662 8.131 6.480 4.929 3.532 2.294 1.203 0.242 -0.607 -1.360 -2.030 -2.631 -3.173 -3.664 -4.520 -4.674 -4.823 -4.967 -5.107 -5.242 -5.374 -5.503 -5.628 -5.750 -5.869 -5.986 -6.100 -6.213 -6.324 -6.434 -6.542 -6.649 -6.756 -6.862 -6.967 9.373 9.209 7.841 6.285 4.800 3.451 2.252 1.194 0.262 -0.559 -1.284 -1.927 -2.500 -3.014 -3.477 -4.277 -4.420 -4.558 -4.692 -4.821 -4.946 -5.068 -5.186 -5.301 -5.413 -5.522 -5.629 -5.734 -5.836 -5.938 -6.037 -6.136 -6.233 -6.329 -6.425 -6.521 99999.999 8.700 7.499 6.043 4.625 3.327 2.168 1.143 0.241 -0.552 -1.251 -1.868 -2.415 -2.902 -3.338 -4.086 -4.219 -4.347 -4.471 -4.590 -4.706 -4.818 -4.926 -5.031 -5.134 -5.234 -5.331 -5.427 -5.520 -5.612 -5.702 -5.791 -5.880 -5.967 -6.054 -6.140 lawsonite CaAl2Si2O10H4 P-T:All Wt.(g/mol) = 314.240 V(cc/mol) = 101.320 D(g/cc) = 3.101 Ref: H&P2011 5 1.000 9 2.000 8 2.000 7 2.000 2 -8.000 1 21.183 17.661 14.570 11.890 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.183 17.661 14.570 11.890 9.553 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.184 17.663 14.572 11.892 9.555 7.493 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.187 17.666 14.575 11.895 9.558 7.496 5.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.192 17.671 14.580 11.901 9.564 7.502 5.655 3.974 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.199 17.679 14.588 11.909 9.572 7.510 5.664 3.984 2.431 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.209 17.691 14.601 11.921 9.585 7.524 5.678 3.999 2.448 0.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.224 17.708 14.618 11.939 9.603 7.543 5.698 4.021 2.471 1.010 -0.407 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.244 17.731 14.642 11.963 9.628 7.568 5.725 4.050 2.503 1.046 -0.364 -1.770 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.270 17.761 14.673 11.995 9.661 7.602 5.761 4.089 2.546 1.094 -0.307 -1.700 -3.099 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.303 17.799 14.713 12.036 9.703 7.646 5.807 4.138 2.600 1.156 -0.234 -1.609 -2.991 -4.311 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.344 17.847 14.763 12.087 9.755 7.700 5.865 4.200 2.668 1.233 -0.142 -1.495 -2.850 -4.196 -5.156 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.373 17.882 14.801 12.126 9.795 7.741 5.908 4.247 2.720 1.291 -0.073 -1.408 -2.740 -4.080 -5.393 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.414 17.932 14.853 12.180 9.850 7.799 5.969 4.313 2.792 1.372 0.022 -1.289 -2.586 -3.896 -5.339 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.452 17.978 14.903 12.232 9.904 7.855 6.028 4.376 2.861 1.451 0.114 -1.174 -2.438 -3.707 -5.138 7.359 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.486 18.023 14.951 12.281 9.955 7.908 6.085 4.438 2.929 1.526 0.203 -1.065 -2.297 -3.521 -4.891 -0.710 2.844 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.519 18.065 14.997 12.329 10.005 7.960 6.140 4.497 2.993 1.599 0.288 -0.961 -2.163 -3.342 -4.635 -2.613 -1.300 0.971 4.244 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.549 18.105 15.041 12.375 10.053 8.010 6.193 4.554 3.056 1.669 0.369 -0.862 -2.036 -3.174 -4.385 -3.439 -2.830 -1.786 -0.172 2.000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.576 18.143 15.083 12.420 10.099 8.059 6.245 4.610 3.117 1.737 0.447 -0.768 -1.918 -3.018 -4.153 -3.881 -3.588 -3.057 -2.212 -0.997 0.559 2.294 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.601 18.179 15.124 12.462 10.143 8.105 6.294 4.663 3.176 1.802 0.522 -0.678 -1.807 -2.874 -3.940 -4.139 -4.020 -3.751 -3.290 -2.598 -1.652 -0.480 0.829 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.624 18.214 15.162 12.503 10.186 8.151 6.342 4.715 3.232 1.865 0.594 -0.594 -1.704 -2.742 -3.751 -4.294 -4.282 -4.167 -3.924 -3.527 -2.955 -2.201 -1.287 -0.268 0.779 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.644 18.246 15.199 12.543 10.228 8.194 6.389 4.765 3.287 1.926 0.663 -0.514 -1.608 -2.623 -3.584 -4.385 -4.444 -4.428 -4.321 -4.105 -3.765 -3.289 -2.677 -1.947 -1.133 -0.279 0.569 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.663 18.276 15.234 12.580 10.267 8.236 6.434 4.814 3.340 1.985 0.729 -0.438 -1.520 -2.516 -3.440 -4.435 -4.544 -4.595 -4.578 -4.481 -4.292 -4.001 -3.603 -3.101 -2.506 -1.842 -1.135 -0.412 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.679 18.305 15.268 12.617 10.306 8.277 6.477 4.861 3.392 2.042 0.793 -0.366 -1.437 -2.419 -3.317 -4.457 -4.602 -4.701 -4.747 -4.731 -4.646 -4.482 -4.235 -3.901 -3.484 -2.992 -2.440 -1.845 -1.225 -0.590 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.694 18.332 15.300 12.652 10.343 8.316 6.519 4.907 3.442 2.097 0.854 -0.297 -1.360 -2.332 -3.212 -4.458 -4.630 -4.765 -4.857 -4.900 -4.888 -4.815 -4.675 -4.465 -4.184 -3.834 -3.422 -2.957 -2.451 -1.912 -1.350 99999.999 99999.999 99999.999 99999.999 99999.999 21.706 18.357 15.330 12.685 10.379 8.354 6.560 4.951 3.490 2.151 0.914 -0.232 -1.288 -2.253 -3.123 -4.445 -4.638 -4.799 -4.925 -5.012 -5.054 -5.047 -4.986 -4.868 -4.691 -4.453 -4.158 -3.809 -3.413 -2.977 -2.506 -2.006 -1.479 99999.999 99999.999 99999.999 21.716 18.381 15.359 12.717 10.413 8.391 6.599 4.993 3.537 2.202 0.971 -0.169 -1.221 -2.181 -3.047 -4.421 -4.630 -4.812 -4.964 -5.084 -5.166 -5.209 -5.207 -5.159 -5.060 -4.911 -4.710 -4.459 -4.162 -3.822 -3.442 -3.028 -2.582 -2.106 99999.999 99999.999 21.725 18.403 15.387 12.748 10.446 8.426 6.637 5.035 3.582 2.253 1.026 -0.109 -1.156 -2.115 -2.980 -4.389 -4.611 -4.809 -4.982 -5.126 -5.240 -5.321 -5.364 -5.369 -5.332 -5.251 -5.126 -4.956 -4.742 -4.487 -4.192 -3.860 -3.494 -3.095 -2.665 -2.202 21.732 18.423 15.413 12.777 10.478 8.460 6.674 5.075 3.626 2.301 1.079 -0.051 -1.094 -2.051 -2.917 -4.350 -4.583 -4.794 -4.983 -5.147 -5.286 -5.396 -5.475 -5.521 -5.531 -5.505 -5.440 -5.336 -5.192 -5.009 -4.789 -4.532 -4.241 -3.917 -3.560 -3.171 21.710 18.553 15.607 13.008 10.734 8.741 6.980 5.411 3.999 2.714 1.537 0.450 -0.554 -1.482 -2.337 -3.842 -4.112 -4.371 -4.620 -4.858 -5.087 -5.306 -5.514 -5.712 -5.899 -6.075 -6.240 -6.393 -6.535 -6.664 -6.781 -6.885 -6.975 -7.052 -7.114 -7.163 21.550 18.566 15.696 13.140 10.898 8.930 7.195 5.653 4.271 3.021 1.882 0.835 -0.131 -1.025 -1.851 -3.327 -3.596 -3.857 -4.111 -4.357 -4.596 -4.829 -5.055 -5.275 -5.489 -5.697 -5.899 -6.096 -6.288 -6.474 -6.655 -6.831 -7.002 -7.168 -7.329 -7.485 21.281 18.486 15.702 13.196 10.987 9.047 7.337 5.821 4.467 3.248 2.141 1.129 0.198 -0.661 -1.456 -2.880 -3.140 -3.394 -3.641 -3.882 -4.117 -4.346 -4.570 -4.788 -5.002 -5.212 -5.417 -5.618 -5.816 -6.010 -6.201 -6.390 -6.575 -6.758 -6.939 -7.117 20.925 18.332 15.641 13.189 11.018 9.107 7.423 5.931 4.602 3.410 2.333 1.352 0.454 -0.374 -1.138 -2.505 -2.756 -3.000 -3.238 -3.470 -3.696 -3.916 -4.132 -4.343 -4.550 -4.753 -4.952 -5.148 -5.341 -5.530 -5.718 -5.902 -6.085 -6.266 -6.446 -6.624 20.497 18.117 15.524 13.130 10.999 9.119 7.461 5.994 4.690 3.522 2.472 1.519 0.649 -0.149 -0.884 -2.196 -2.436 -2.670 -2.898 -3.120 -3.337 -3.548 -3.754 -3.957 -4.154 -4.349 -4.539 -4.726 -4.911 -5.092 -5.271 -5.448 -5.624 -5.797 -5.969 -6.140 20.011 17.851 15.360 13.027 10.939 9.091 7.461 6.018 4.737 3.593 2.566 1.639 0.796 0.025 -0.683 -1.943 -2.174 -2.398 -2.616 -2.828 -3.035 -3.237 -3.434 -3.627 -3.815 -4.000 -4.182 -4.360 -4.536 -4.708 -4.879 -5.047 -5.213 -5.378 -5.541 -5.703 19.475 17.542 15.157 12.888 10.844 9.030 7.427 6.009 4.751 3.629 2.625 1.720 0.902 0.155 -0.528 -1.739 -1.960 -2.174 -2.383 -2.586 -2.784 -2.976 -3.165 -3.349 -3.529 -3.705 -3.877 -4.047 -4.214 -4.378 -4.539 -4.699 -4.856 -5.012 -5.167 -5.320 99999.999 17.197 14.921 12.717 10.718 8.940 7.365 5.972 4.736 3.636 2.653 1.770 0.973 0.250 -0.411 -1.576 -1.788 -1.993 -2.193 -2.387 -2.577 -2.761 -2.941 -3.116 -3.288 -3.456 -3.620 -3.782 -3.940 -4.096 -4.249 -4.401 -4.550 -4.698 -4.844 -4.989 leucite KAlSi2O6 P-T:All Wt.(g/mol) = 218.250 V(cc/mol) = 88.260 D(g/cc) = 2.473 Ref: H&P2011 5 -4.000 1 1.000 12 1.000 8 2.000 7 -2.000 2 9.263 7.761 6.375 5.149 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.263 7.761 6.375 5.149 4.070 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.264 7.763 6.377 5.151 4.071 3.115 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.266 7.765 6.379 5.153 4.074 3.117 2.260 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.270 7.769 6.383 5.157 4.078 3.122 2.264 1.484 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.276 7.775 6.390 5.164 4.085 3.128 2.271 1.491 0.771 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.284 7.785 6.400 5.174 4.095 3.138 2.281 1.502 0.782 0.103 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.296 7.799 6.414 5.188 4.109 3.153 2.296 1.518 0.799 0.122 -0.536 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.312 7.817 6.433 5.207 4.128 3.173 2.317 1.539 0.822 0.146 -0.508 -1.161 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.334 7.842 6.458 5.233 4.154 3.199 2.344 1.567 0.852 0.179 -0.471 -1.118 -1.773 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.361 7.873 6.490 5.265 4.187 3.232 2.378 1.603 0.890 0.221 -0.423 -1.061 -1.707 -2.338 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.394 7.911 6.531 5.306 4.228 3.275 2.422 1.649 0.938 0.273 -0.364 -0.990 -1.622 -2.259 -2.757 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.418 7.941 6.561 5.337 4.260 3.307 2.455 1.683 0.975 0.313 -0.318 -0.937 -1.557 -2.188 -2.827 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.452 7.981 6.604 5.380 4.304 3.351 2.501 1.732 1.026 0.369 -0.256 -0.863 -1.466 -2.080 -2.766 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.483 8.019 6.644 5.422 4.346 3.395 2.546 1.779 1.076 0.423 -0.195 -0.791 -1.378 -1.971 -2.645 2.537 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.512 8.056 6.684 5.462 4.387 3.437 2.589 1.824 1.124 0.475 -0.137 -0.723 -1.294 -1.865 -2.508 -0.844 0.628 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.540 8.091 6.721 5.501 4.427 3.477 2.631 1.868 1.171 0.526 -0.080 -0.657 -1.214 -1.763 -2.368 -1.611 -1.085 -0.155 1.193 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.565 8.125 6.758 5.539 4.465 3.517 2.672 1.911 1.216 0.575 -0.026 -0.594 -1.137 -1.667 -2.233 -1.926 -1.694 -1.280 -0.628 0.257 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.588 8.157 6.792 5.575 4.502 3.555 2.712 1.952 1.260 0.622 0.027 -0.534 -1.065 -1.576 -2.106 -2.080 -1.980 -1.780 -1.450 -0.965 -0.339 0.359 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.610 8.187 6.826 5.610 4.538 3.592 2.750 1.993 1.303 0.668 0.077 -0.476 -0.998 -1.492 -1.990 -2.159 -2.130 -2.039 -1.869 -1.602 -1.230 -0.764 -0.243 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.630 8.216 6.858 5.644 4.573 3.628 2.787 2.032 1.344 0.713 0.126 -0.421 -0.933 -1.414 -1.885 -2.196 -2.211 -2.183 -2.102 -1.958 -1.741 -1.448 -1.090 -0.689 -0.278 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.648 8.243 6.889 5.676 4.607 3.663 2.823 2.070 1.385 0.756 0.173 -0.368 -0.873 -1.343 -1.790 -2.208 -2.251 -2.264 -2.238 -2.168 -2.047 -1.869 -1.636 -1.353 -1.037 -0.705 -0.375 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.665 8.269 6.919 5.708 4.639 3.696 2.858 2.106 1.424 0.798 0.219 -0.318 -0.816 -1.277 -1.706 -2.203 -2.267 -2.306 -2.317 -2.296 -2.236 -2.135 -1.989 -1.800 -1.573 -1.318 -1.045 -0.766 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.680 8.294 6.947 5.738 4.671 3.729 2.893 2.142 1.462 0.838 0.263 -0.270 -0.763 -1.216 -1.632 -2.188 -2.265 -2.324 -2.360 -2.372 -2.354 -2.305 -2.221 -2.101 -1.947 -1.762 -1.552 -1.324 -1.085 -0.840 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.694 8.317 6.974 5.767 4.701 3.761 2.926 2.177 1.499 0.878 0.306 -0.223 -0.712 -1.160 -1.567 -2.165 -2.253 -2.325 -2.380 -2.415 -2.427 -2.414 -2.374 -2.305 -2.206 -2.079 -1.926 -1.751 -1.558 -1.352 -1.135 99999.999 99999.999 99999.999 99999.999 99999.999 9.706 8.340 7.000 5.795 4.731 3.791 2.958 2.211 1.535 0.916 0.347 -0.179 -0.664 -1.108 -1.510 -2.136 -2.232 -2.315 -2.383 -2.435 -2.469 -2.483 -2.474 -2.442 -2.386 -2.304 -2.199 -2.071 -1.924 -1.759 -1.579 -1.387 -1.182 99999.999 99999.999 99999.999 9.716 8.361 7.025 5.822 4.759 3.821 2.989 2.244 1.569 0.954 0.387 -0.136 -0.618 -1.059 -1.458 -2.104 -2.206 -2.297 -2.375 -2.440 -2.490 -2.523 -2.539 -2.535 -2.510 -2.464 -2.397 -2.309 -2.202 -2.076 -1.934 -1.776 -1.604 -1.419 99999.999 99999.999 9.725 8.380 7.049 5.848 4.787 3.850 3.019 2.275 1.603 0.990 0.426 -0.094 -0.574 -1.013 -1.411 -2.069 -2.176 -2.273 -2.359 -2.434 -2.496 -2.544 -2.577 -2.595 -2.594 -2.576 -2.540 -2.484 -2.411 -2.320 -2.212 -2.088 -1.949 -1.795 -1.627 -1.445 9.733 8.399 7.072 5.873 4.813 3.878 3.048 2.306 1.636 1.025 0.464 -0.054 -0.531 -0.969 -1.366 -2.032 -2.143 -2.244 -2.337 -2.419 -2.490 -2.550 -2.597 -2.631 -2.650 -2.654 -2.641 -2.612 -2.567 -2.505 -2.428 -2.334 -2.226 -2.103 -1.966 -1.814 9.741 8.526 7.248 6.076 5.033 4.112 3.297 2.571 1.920 1.330 0.791 0.297 -0.158 -0.577 -0.962 -1.639 -1.761 -1.877 -1.990 -2.098 -2.202 -2.301 -2.396 -2.487 -2.573 -2.655 -2.732 -2.804 -2.871 -2.932 -2.989 -3.040 -3.085 -3.125 -3.158 -3.185 9.643 8.563 7.344 6.204 5.183 4.279 3.479 2.769 2.134 1.563 1.045 0.571 0.137 -0.262 -0.629 -1.281 -1.399 -1.514 -1.625 -1.733 -1.837 -1.939 -2.038 -2.134 -2.228 -2.319 -2.407 -2.493 -2.577 -2.658 -2.737 -2.814 -2.889 -2.961 -3.031 -3.100 9.460 8.528 7.375 6.273 5.277 4.392 3.608 2.914 2.295 1.741 1.240 0.786 0.371 -0.009 -0.358 -0.977 -1.090 -1.199 -1.305 -1.408 -1.509 -1.606 -1.701 -1.794 -1.885 -1.974 -2.060 -2.145 -2.229 -2.310 -2.391 -2.470 -2.547 -2.624 -2.699 -2.774 9.209 8.434 7.354 6.292 5.324 4.460 3.694 3.016 2.413 1.874 1.391 0.954 0.556 0.194 -0.138 -0.724 -0.831 -0.934 -1.034 -1.132 -1.226 -1.319 -1.408 -1.496 -1.582 -1.665 -1.747 -1.828 -1.906 -1.984 -2.060 -2.136 -2.210 -2.283 -2.356 -2.427 8.902 8.292 7.288 6.271 5.333 4.492 3.745 3.082 2.495 1.972 1.503 1.082 0.702 0.355 0.040 -0.515 -0.616 -0.713 -0.807 -0.899 -0.988 -1.074 -1.158 -1.241 -1.321 -1.399 -1.475 -1.550 -1.624 -1.696 -1.767 -1.837 -1.906 -1.975 -2.042 -2.109 8.547 8.108 7.184 6.216 5.310 4.492 3.765 3.119 2.547 2.039 1.585 1.179 0.813 0.483 0.182 -0.343 -0.438 -0.530 -0.618 -0.704 -0.788 -0.868 -0.947 -1.024 -1.098 -1.171 -1.242 -1.312 -1.380 -1.447 -1.513 -1.578 -1.642 -1.704 -1.767 -1.828 8.151 7.889 7.049 6.130 5.258 4.466 3.759 3.131 2.574 2.080 1.641 1.249 0.897 0.581 0.295 -0.203 -0.292 -0.378 -0.462 -0.542 -0.620 -0.696 -0.770 -0.841 -0.911 -0.979 -1.045 -1.109 -1.172 -1.234 -1.295 -1.355 -1.413 -1.471 -1.528 -1.585 99999.999 7.640 6.886 6.018 5.182 4.417 3.730 3.120 2.579 2.100 1.674 1.296 0.958 0.655 0.382 -0.090 -0.174 -0.255 -0.333 -0.409 -0.482 -0.553 -0.622 -0.688 -0.753 -0.816 -0.877 -0.937 -0.996 -1.053 -1.109 -1.164 -1.218 -1.271 -1.324 -1.376 lime CaO P-T:All Wt.(g/mol) = 56.080 V(cc/mol) = 16.760 D(g/cc) = 3.346 Ref: H&P2011 3 1.000 9 1.000 2 -2.000 1 35.962 32.841 30.201 27.942 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.962 32.841 30.201 27.942 25.986 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.963 32.841 30.202 27.943 25.986 24.273 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.964 32.842 30.202 27.943 25.987 24.274 22.758 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.965 32.843 30.203 27.944 25.988 24.275 22.759 21.406 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.967 32.845 30.205 27.946 25.989 24.276 22.761 21.408 20.188 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.971 32.848 30.208 27.948 25.992 24.279 22.763 21.410 20.191 19.081 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.976 32.852 30.212 27.952 25.995 24.282 22.767 21.414 20.195 19.085 18.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.983 32.858 30.217 27.957 26.000 24.287 22.772 21.419 20.200 19.091 18.071 17.120 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.992 32.866 30.224 27.963 26.006 24.293 22.778 21.426 20.207 19.100 18.081 17.132 16.239 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.003 32.876 30.233 27.972 26.014 24.301 22.786 21.434 20.217 19.110 18.094 17.148 16.258 15.420 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.018 32.889 30.244 27.983 26.025 24.311 22.797 21.445 20.229 19.123 18.109 17.168 16.284 15.446 14.681 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.029 32.898 30.253 27.991 26.033 24.319 22.805 21.454 20.238 19.133 18.121 17.183 16.303 15.469 14.663 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.045 32.912 30.266 28.003 26.044 24.330 22.816 21.465 20.250 19.147 18.138 17.204 16.331 15.504 14.688 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.061 32.925 30.278 28.014 26.055 24.341 22.827 21.477 20.263 19.161 18.154 17.224 16.357 15.538 14.731 15.280 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.076 32.939 30.290 28.025 26.066 24.352 22.838 21.488 20.275 19.174 18.169 17.242 16.381 15.572 14.778 14.294 14.536 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.091 32.952 30.302 28.036 26.077 24.362 22.849 21.499 20.286 19.187 18.184 17.261 16.405 15.604 14.825 14.058 14.027 14.115 14.303 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.106 32.964 30.313 28.047 26.087 24.373 22.859 21.510 20.298 19.200 18.198 17.278 16.427 15.633 14.870 13.958 13.840 13.780 13.790 13.859 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.121 32.977 30.325 28.058 26.097 24.383 22.869 21.521 20.309 19.212 18.212 17.294 16.448 15.661 14.912 13.908 13.750 13.627 13.546 13.511 13.513 13.524 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.135 32.989 30.336 28.069 26.107 24.393 22.879 21.531 20.320 19.224 18.225 17.310 16.467 15.686 14.949 13.881 13.701 13.545 13.418 13.322 13.258 13.220 13.191 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.149 33.001 30.347 28.079 26.117 24.403 22.889 21.541 20.331 19.236 18.238 17.325 16.485 15.710 14.983 13.867 13.674 13.499 13.344 13.213 13.106 13.024 12.960 12.905 12.849 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.162 33.013 30.358 28.089 26.127 24.412 22.899 21.551 20.341 19.247 18.251 17.340 16.503 15.731 15.013 13.861 13.659 13.472 13.301 13.148 13.013 12.899 12.803 12.722 12.650 12.580 12.507 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.176 33.025 30.369 28.099 26.137 24.422 22.908 21.561 20.351 19.258 18.263 17.353 16.518 15.750 15.039 13.860 13.652 13.457 13.275 13.107 12.955 12.819 12.699 12.594 12.501 12.417 12.338 12.260 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.189 33.037 30.379 28.109 26.146 24.431 22.918 21.571 20.362 19.269 18.275 17.366 16.533 15.768 15.061 13.863 13.651 13.449 13.259 13.082 12.917 12.766 12.629 12.505 12.394 12.294 12.202 12.116 12.033 11.953 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.202 33.048 30.390 28.119 26.156 24.440 22.927 21.580 20.371 19.279 18.286 17.379 16.547 15.783 15.080 13.868 13.652 13.447 13.251 13.066 12.893 12.731 12.581 12.444 12.318 12.203 12.097 12.000 11.909 11.823 11.742 99999.999 99999.999 99999.999 99999.999 99999.999 36.215 33.059 30.400 28.129 26.165 24.449 22.936 21.589 20.381 19.290 18.297 17.391 16.561 15.798 15.097 13.875 13.657 13.448 13.248 13.058 12.878 12.709 12.550 12.401 12.264 12.136 12.019 11.910 11.809 11.715 11.627 11.544 11.467 99999.999 99999.999 99999.999 36.227 33.070 30.410 28.138 26.174 24.458 22.945 21.598 20.391 19.300 18.308 17.403 16.573 15.811 15.111 13.883 13.663 13.451 13.249 13.055 12.870 12.695 12.529 12.372 12.225 12.088 11.960 11.841 11.731 11.628 11.532 11.442 11.358 11.281 99999.999 99999.999 36.239 33.081 30.420 28.147 26.183 24.467 22.954 21.607 20.400 19.310 18.319 17.414 16.585 15.824 15.124 13.892 13.670 13.457 13.252 13.055 12.867 12.687 12.515 12.353 12.199 12.054 11.917 11.790 11.670 11.558 11.454 11.357 11.266 11.182 11.104 11.032 36.251 33.092 30.430 28.157 26.192 24.476 22.962 21.616 20.409 19.319 18.329 17.425 16.597 15.836 15.136 13.901 13.679 13.464 13.257 13.058 12.867 12.683 12.508 12.340 12.181 12.029 11.886 11.751 11.624 11.505 11.392 11.287 11.189 11.098 11.013 10.934 36.361 33.190 30.521 28.242 26.274 24.556 23.042 21.697 20.493 19.408 18.423 17.525 16.702 15.946 15.249 14.009 13.782 13.563 13.349 13.142 12.941 12.745 12.555 12.371 12.191 12.017 11.848 11.683 11.524 11.369 11.219 11.073 10.932 10.796 10.664 10.537 36.456 33.277 30.602 28.319 26.347 24.627 23.113 21.768 20.566 19.483 18.502 17.609 16.791 16.039 15.347 14.112 13.887 13.667 13.454 13.247 13.045 12.848 12.657 12.470 12.289 12.111 11.938 11.770 11.605 11.444 11.287 11.134 10.984 10.837 10.694 10.554 36.537 33.354 30.674 28.388 26.414 24.692 23.176 21.832 20.630 19.550 18.572 17.682 16.868 16.120 15.432 14.205 13.981 13.762 13.550 13.344 13.143 12.948 12.757 12.571 12.390 12.213 12.041 11.872 11.707 11.546 11.388 11.234 11.083 10.935 10.790 10.648 36.609 33.423 30.740 28.451 26.474 24.751 23.234 21.889 20.689 19.609 18.633 17.746 16.935 16.192 15.507 14.287 14.064 13.847 13.636 13.431 13.232 13.038 12.848 12.664 12.484 12.308 12.137 11.969 11.805 11.645 11.489 11.335 11.185 11.038 10.894 10.753 36.673 33.487 30.801 28.509 26.530 24.805 23.288 21.942 20.742 19.663 18.689 17.804 16.996 16.255 15.573 14.360 14.138 13.923 13.713 13.509 13.311 13.118 12.930 12.747 12.568 12.394 12.224 12.058 11.895 11.736 11.581 11.429 11.280 11.135 10.992 10.852 36.731 33.546 30.858 28.564 26.583 24.856 23.337 21.992 20.791 19.713 18.739 17.856 17.050 16.312 15.632 14.425 14.204 13.990 13.782 13.579 13.382 13.190 13.004 12.822 12.644 12.471 12.302 12.137 11.976 11.819 11.665 11.514 11.366 11.222 11.080 10.942 36.783 33.600 30.911 28.615 26.632 24.904 23.384 22.038 20.837 19.759 18.786 17.904 17.100 16.363 15.686 14.484 14.264 14.051 13.844 13.642 13.446 13.256 13.070 12.889 12.712 12.540 12.373 12.209 12.049 11.892 11.740 11.590 11.444 11.301 11.160 11.023 99999.999 33.652 30.961 28.663 26.679 24.950 23.429 22.082 20.880 19.803 18.830 17.949 17.146 16.411 15.736 14.537 14.319 14.106 13.900 13.699 13.504 13.314 13.130 12.950 12.774 12.603 12.436 12.274 12.115 11.959 11.807 11.659 11.514 11.371 11.232 11.096 lizardite Mg3Si2O9H4 P-T:All Wt.(g/mol) = 277.108 V(cc/mol) = 106.450 D(g/cc) = 2.603 Ref: H&P2011 4 3.000 10 2.000 7 1.000 2 -6.000 1 34.997 31.335 28.181 25.495 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.997 31.335 28.181 25.495 23.199 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.998 31.336 28.182 25.496 23.200 21.218 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.000 31.338 28.184 25.499 23.203 21.220 19.488 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.003 31.342 28.188 25.502 23.206 21.224 19.492 17.957 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.008 31.348 28.194 25.508 23.212 21.231 19.499 17.964 16.585 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.015 31.356 28.202 25.517 23.222 21.240 19.509 17.975 16.597 15.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.026 31.368 28.215 25.530 23.235 21.253 19.523 17.990 16.614 15.353 14.168 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.040 31.384 28.232 25.547 23.252 21.272 19.542 18.011 16.637 15.379 14.199 13.056 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.059 31.406 28.254 25.570 23.275 21.296 19.567 18.039 16.667 15.414 14.240 13.107 11.991 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.082 31.433 28.282 25.599 23.305 21.326 19.600 18.074 16.705 15.457 14.292 13.173 12.071 11.009 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.110 31.466 28.317 25.635 23.342 21.365 19.641 18.117 16.754 15.512 14.357 13.254 12.175 11.107 10.231 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.131 31.491 28.343 25.662 23.370 21.394 19.671 18.151 16.790 15.553 14.406 13.316 12.254 11.197 10.129 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.158 31.525 28.380 25.699 23.408 21.434 19.714 18.197 16.841 15.610 14.474 13.401 12.364 11.335 10.208 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.183 31.556 28.414 25.735 23.445 21.473 19.755 18.241 16.889 15.665 14.539 13.482 12.470 11.473 10.369 17.336 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.206 31.586 28.446 25.769 23.481 21.510 19.794 18.284 16.936 15.718 14.601 13.559 12.571 11.607 10.553 12.730 14.704 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.226 31.614 28.477 25.801 23.515 21.545 19.832 18.325 16.981 15.769 14.661 13.633 12.666 11.735 10.740 11.648 12.344 13.581 15.343 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.245 31.641 28.507 25.832 23.547 21.580 19.869 18.364 17.025 15.818 14.718 13.702 12.755 11.854 10.918 11.191 11.482 12.023 12.884 14.037 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.261 31.665 28.534 25.862 23.578 21.612 19.904 18.402 17.067 15.865 14.772 13.768 12.838 11.965 11.083 10.956 11.065 11.314 11.741 12.374 13.186 14.068 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.275 31.688 28.561 25.890 23.608 21.644 19.938 18.439 17.107 15.910 14.824 13.831 12.916 12.067 11.234 10.826 10.837 10.936 11.145 11.486 11.968 12.567 13.224 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.287 31.709 28.585 25.917 23.636 21.674 19.970 18.474 17.146 15.954 14.874 13.890 12.989 12.160 11.368 10.756 10.706 10.717 10.803 10.978 11.252 11.626 12.083 12.588 13.093 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.298 31.729 28.609 25.942 23.663 21.703 20.001 18.508 17.183 15.996 14.922 13.946 13.056 12.244 11.486 10.721 10.631 10.586 10.596 10.668 10.813 11.034 11.329 11.687 12.085 12.494 12.890 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.306 31.747 28.631 25.967 23.689 21.731 20.031 18.541 17.219 16.036 14.968 13.999 13.118 12.320 11.589 10.709 10.592 10.509 10.468 10.474 10.534 10.652 10.830 11.067 11.352 11.672 12.009 12.349 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.313 31.763 28.651 25.990 23.714 21.757 20.060 18.572 17.254 16.075 15.012 14.049 13.176 12.389 11.677 10.713 10.575 10.466 10.390 10.350 10.352 10.399 10.495 10.640 10.831 11.062 11.324 11.606 11.900 12.197 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.318 31.778 28.671 26.011 23.738 21.783 20.087 18.602 17.288 16.112 15.054 14.096 13.230 12.451 11.752 10.728 10.575 10.447 10.345 10.273 10.234 10.231 10.267 10.344 10.461 10.617 10.807 11.025 11.265 11.520 11.787 99999.999 99999.999 99999.999 99999.999 99999.999 35.321 31.792 28.689 26.032 23.760 21.807 20.114 18.632 17.320 16.149 15.094 14.141 13.281 12.507 11.817 10.750 10.586 10.443 10.323 10.227 10.158 10.118 10.111 10.137 10.198 10.293 10.421 10.579 10.763 10.969 11.194 11.434 11.690 99999.999 99999.999 99999.999 35.323 31.804 28.706 26.051 23.782 21.831 20.139 18.660 17.351 16.183 15.133 14.184 13.328 12.558 11.873 10.778 10.606 10.451 10.317 10.203 10.111 10.045 10.005 9.993 10.011 10.058 10.135 10.241 10.374 10.531 10.709 10.908 11.126 11.361 99999.999 99999.999 35.323 31.815 28.721 26.070 23.802 21.853 20.164 18.687 17.381 16.217 15.170 14.226 13.373 12.606 11.922 10.810 10.631 10.468 10.322 10.195 10.086 9.999 9.935 9.894 9.878 9.888 9.924 9.986 10.074 10.187 10.322 10.478 10.655 10.852 11.068 11.303 35.322 31.825 28.736 26.087 23.821 21.874 20.187 18.713 17.410 16.249 15.206 14.265 13.416 12.651 11.968 10.845 10.661 10.491 10.337 10.198 10.077 9.974 9.890 9.826 9.784 9.765 9.768 9.795 9.846 9.919 10.015 10.132 10.270 10.428 10.606 10.803 35.231 31.858 28.824 26.207 23.965 22.038 20.373 18.922 17.647 16.517 15.507 14.601 13.783 13.044 12.378 11.238 11.038 10.847 10.664 10.490 10.323 10.164 10.014 9.871 9.736 9.608 9.489 9.378 9.275 9.180 9.094 9.017 8.949 8.889 8.839 8.799 35.023 31.793 28.825 26.247 24.032 22.128 20.484 19.055 17.805 16.702 15.722 14.845 14.057 13.347 12.706 11.601 11.406 11.217 11.036 10.861 10.693 10.530 10.374 10.223 10.078 9.937 9.802 9.671 9.544 9.422 9.305 9.191 9.082 8.976 8.874 8.777 34.722 31.651 28.756 26.222 24.039 22.160 20.538 19.131 17.903 16.824 15.870 15.020 14.259 13.576 12.960 11.901 11.713 11.532 11.358 11.189 11.027 10.871 10.719 10.573 10.431 10.293 10.160 10.030 9.904 9.781 9.662 9.545 9.431 9.320 9.211 9.104 34.345 31.445 28.631 26.146 23.996 22.144 20.545 19.160 17.954 16.897 15.966 15.140 14.405 13.746 13.155 12.141 11.962 11.789 11.623 11.463 11.308 11.159 11.015 10.876 10.741 10.610 10.483 10.360 10.240 10.123 10.009 9.897 9.788 9.681 9.576 9.472 33.908 31.187 28.460 26.027 23.913 22.090 20.515 19.151 17.966 16.930 16.020 15.217 14.504 13.869 13.300 12.330 12.159 11.995 11.837 11.684 11.538 11.397 11.261 11.129 11.002 10.879 10.759 10.643 10.530 10.421 10.314 10.209 10.107 10.007 9.909 9.812 33.419 30.886 28.249 25.871 23.797 22.003 20.453 19.111 17.946 16.930 16.041 15.258 14.566 13.952 13.405 12.476 12.313 12.156 12.006 11.862 11.723 11.589 11.460 11.336 11.217 11.101 10.989 10.880 10.775 10.672 10.573 10.476 10.381 10.288 10.197 10.108 32.887 30.549 28.005 25.684 23.651 21.888 20.364 19.044 17.900 16.903 16.033 15.269 14.597 14.003 13.475 12.585 12.429 12.280 12.137 12.000 11.868 11.742 11.620 11.503 11.391 11.282 11.177 11.075 10.977 10.881 10.789 10.699 10.611 10.525 10.441 10.359 99999.999 30.181 27.733 25.471 23.480 21.749 20.251 18.955 17.830 16.853 16.001 15.256 14.602 14.025 13.516 12.662 12.513 12.371 12.235 12.105 11.980 11.861 11.746 11.635 11.529 11.427 11.329 11.233 11.142 11.053 10.966 10.882 10.801 10.722 10.644 10.568 magnesite MgO3C P-T:All Wt.(g/mol) = 84.320 V(cc/mol) = 28.030 D(g/cc) = 3.008 Ref: H&P2011 3 1.000 10 1.000 5 -1.000 1 3.084 2.396 1.766 1.195 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.084 2.396 1.766 1.195 0.671 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.085 2.397 1.767 1.195 0.672 0.185 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.086 2.398 1.768 1.196 0.673 0.186 -0.276 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.089 2.400 1.769 1.198 0.675 0.188 -0.274 -0.721 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.092 2.403 1.772 1.200 0.677 0.190 -0.271 -0.718 -1.158 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.098 2.407 1.776 1.204 0.681 0.194 -0.267 -0.713 -1.152 -1.597 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.105 2.413 1.782 1.210 0.687 0.200 -0.261 -0.706 -1.144 -1.587 -2.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.116 2.422 1.790 1.217 0.694 0.208 -0.252 -0.696 -1.133 -1.573 -2.033 -2.533 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.130 2.434 1.800 1.227 0.704 0.219 -0.241 -0.683 -1.118 -1.556 -2.010 -2.502 -3.056 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.148 2.449 1.814 1.241 0.717 0.232 -0.226 -0.667 -1.099 -1.533 -1.982 -2.463 -3.001 -3.630 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.171 2.468 1.831 1.257 0.734 0.249 -0.207 -0.646 -1.075 -1.505 -1.946 -2.415 -2.933 -3.534 -4.293 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.189 2.482 1.844 1.270 0.747 0.263 -0.193 -0.630 -1.057 -1.483 -1.919 -2.379 -2.883 -3.461 -4.211 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.214 2.503 1.863 1.288 0.764 0.281 -0.173 -0.608 -1.032 -1.453 -1.882 -2.330 -2.814 -3.362 -4.069 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.238 2.523 1.881 1.305 0.782 0.299 -0.154 -0.587 -1.008 -1.424 -1.846 -2.283 -2.750 -3.269 -3.926 -3.265 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.261 2.542 1.899 1.322 0.799 0.317 -0.135 -0.565 -0.984 -1.397 -1.812 -2.239 -2.689 -3.183 -3.790 -3.887 -3.758 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.285 2.561 1.916 1.339 0.816 0.335 -0.116 -0.545 -0.960 -1.369 -1.779 -2.197 -2.633 -3.103 -3.665 -3.989 -4.034 -4.023 -4.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.307 2.580 1.933 1.356 0.833 0.352 -0.098 -0.525 -0.938 -1.343 -1.748 -2.157 -2.580 -3.028 -3.549 -3.994 -4.093 -4.166 -4.214 -4.275 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.329 2.598 1.950 1.372 0.849 0.369 -0.080 -0.505 -0.916 -1.318 -1.717 -2.119 -2.530 -2.960 -3.445 -3.967 -4.089 -4.197 -4.289 -4.371 -4.464 -4.610 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.350 2.616 1.967 1.388 0.865 0.385 -0.062 -0.486 -0.894 -1.293 -1.688 -2.083 -2.484 -2.897 -3.351 -3.929 -4.060 -4.184 -4.299 -4.404 -4.507 -4.620 -4.764 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.371 2.634 1.983 1.403 0.880 0.401 -0.045 -0.467 -0.873 -1.269 -1.659 -2.049 -2.440 -2.840 -3.267 -3.885 -4.021 -4.153 -4.279 -4.399 -4.514 -4.629 -4.753 -4.897 -5.071 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.392 2.651 1.999 1.419 0.896 0.417 -0.028 -0.449 -0.853 -1.246 -1.632 -2.016 -2.399 -2.787 -3.192 -3.839 -3.977 -4.112 -4.244 -4.372 -4.497 -4.619 -4.741 -4.871 -5.013 -5.173 -5.356 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.412 2.668 2.014 1.434 0.911 0.432 -0.012 -0.431 -0.833 -1.223 -1.606 -1.984 -2.361 -2.739 -3.126 -3.792 -3.931 -4.068 -4.203 -4.335 -4.464 -4.592 -4.718 -4.845 -4.977 -5.116 -5.266 -5.428 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.432 2.685 2.030 1.448 0.925 0.448 0.004 -0.413 -0.813 -1.201 -1.580 -1.955 -2.325 -2.695 -3.068 -3.746 -3.884 -4.022 -4.157 -4.292 -4.424 -4.554 -4.683 -4.812 -4.941 -5.073 -5.209 -5.351 -5.498 -5.650 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.451 2.701 2.045 1.463 0.940 0.463 0.020 -0.396 -0.794 -1.179 -1.556 -1.926 -2.292 -2.654 -3.016 -3.700 -3.838 -3.975 -4.111 -4.245 -4.379 -4.511 -4.642 -4.772 -4.901 -5.031 -5.162 -5.294 -5.428 -5.564 -5.700 99999.999 99999.999 99999.999 99999.999 99999.999 3.469 2.717 2.059 1.477 0.954 0.477 0.036 -0.379 -0.775 -1.158 -1.532 -1.898 -2.260 -2.617 -2.971 -3.655 -3.792 -3.928 -4.063 -4.198 -4.332 -4.465 -4.597 -4.727 -4.857 -4.986 -5.115 -5.244 -5.372 -5.500 -5.626 -5.750 -5.870 99999.999 99999.999 99999.999 3.488 2.733 2.074 1.491 0.968 0.492 0.051 -0.363 -0.757 -1.138 -1.508 -1.872 -2.229 -2.582 -2.930 -3.611 -3.747 -3.882 -4.016 -4.150 -4.284 -4.417 -4.549 -4.680 -4.810 -4.939 -5.067 -5.194 -5.320 -5.444 -5.566 -5.685 -5.799 -5.908 99999.999 99999.999 3.506 2.748 2.088 1.505 0.982 0.506 0.066 -0.346 -0.739 -1.117 -1.486 -1.846 -2.200 -2.549 -2.892 -3.568 -3.702 -3.836 -3.970 -4.103 -4.235 -4.368 -4.500 -4.631 -4.761 -4.890 -5.018 -5.144 -5.269 -5.392 -5.512 -5.628 -5.741 -5.847 -5.947 -6.039 3.523 2.763 2.102 1.518 0.996 0.520 0.081 -0.330 -0.721 -1.098 -1.464 -1.821 -2.172 -2.517 -2.858 -3.526 -3.659 -3.791 -3.924 -4.056 -4.187 -4.319 -4.450 -4.581 -4.710 -4.839 -4.967 -5.093 -5.218 -5.340 -5.459 -5.575 -5.687 -5.794 -5.894 -5.987 3.679 2.900 2.230 1.642 1.120 0.648 0.216 -0.186 -0.563 -0.922 -1.267 -1.601 -1.926 -2.244 -2.555 -3.160 -3.280 -3.399 -3.518 -3.636 -3.755 -3.873 -3.992 -4.110 -4.229 -4.347 -4.465 -4.583 -4.701 -4.818 -4.935 -5.051 -5.165 -5.279 -5.390 -5.500 3.804 3.014 2.338 1.749 1.227 0.758 0.331 -0.062 -0.429 -0.775 -1.105 -1.421 -1.727 -2.023 -2.311 -2.869 -2.978 -3.086 -3.194 -3.302 -3.409 -3.516 -3.623 -3.729 -3.836 -3.942 -4.049 -4.155 -4.261 -4.368 -4.474 -4.580 -4.687 -4.793 -4.899 -5.005 3.905 3.110 2.431 1.841 1.320 0.854 0.432 0.044 -0.314 -0.650 -0.967 -1.269 -1.559 -1.839 -2.110 -2.629 -2.730 -2.830 -2.930 -3.028 -3.127 -3.225 -3.322 -3.419 -3.516 -3.613 -3.710 -3.806 -3.903 -3.999 -4.096 -4.192 -4.289 -4.386 -4.482 -4.579 3.987 3.191 2.512 1.922 1.403 0.939 0.520 0.138 -0.214 -0.541 -0.848 -1.139 -1.416 -1.682 -1.939 -2.427 -2.521 -2.615 -2.707 -2.799 -2.890 -2.981 -3.071 -3.161 -3.250 -3.339 -3.428 -3.517 -3.605 -3.693 -3.782 -3.870 -3.958 -4.047 -4.135 -4.224 4.053 3.260 2.582 1.994 1.476 1.015 0.600 0.222 -0.124 -0.445 -0.744 -1.025 -1.292 -1.547 -1.791 -2.253 -2.342 -2.430 -2.517 -2.603 -2.689 -2.773 -2.858 -2.941 -3.024 -3.107 -3.190 -3.272 -3.353 -3.435 -3.517 -3.598 -3.680 -3.761 -3.843 -3.925 4.106 3.319 2.644 2.057 1.541 1.083 0.671 0.297 -0.044 -0.359 -0.651 -0.925 -1.183 -1.428 -1.661 -2.102 -2.186 -2.269 -2.352 -2.433 -2.514 -2.594 -2.673 -2.751 -2.830 -2.907 -2.984 -3.061 -3.138 -3.214 -3.290 -3.366 -3.442 -3.518 -3.594 -3.669 4.149 3.371 2.698 2.113 1.600 1.144 0.735 0.365 0.028 -0.281 -0.568 -0.835 -1.085 -1.322 -1.547 -1.968 -2.049 -2.128 -2.207 -2.284 -2.361 -2.436 -2.511 -2.586 -2.659 -2.733 -2.805 -2.878 -2.950 -3.022 -3.093 -3.165 -3.236 -3.307 -3.378 -3.449 99999.999 3.415 2.745 2.164 1.653 1.200 0.794 0.427 0.094 -0.211 -0.493 -0.754 -0.998 -1.228 -1.445 -1.850 -1.927 -2.003 -2.078 -2.152 -2.225 -2.297 -2.369 -2.439 -2.509 -2.579 -2.648 -2.717 -2.785 -2.853 -2.921 -2.988 -3.056 -3.123 -3.190 -3.257 magnetite Fe3O4 Ssln ID, Coef: 14 1.000 P-T:All Wt.(g/mol) = 231.500 V(cc/mol) = 44.520 D(g/cc) = 5.200 Ref: H&P2011 5 -5.750 1 -0.250 6 0.250 4 3.000 2 3.000 11 32.505 28.631 25.331 22.500 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.505 28.631 25.331 22.500 20.042 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.507 28.632 25.332 22.501 20.043 17.882 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.509 28.635 25.335 22.504 20.046 17.884 15.957 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.514 28.639 25.339 22.508 20.050 17.888 15.961 14.220 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.522 28.646 25.346 22.514 20.056 17.894 15.968 14.227 12.633 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.533 28.657 25.355 22.523 20.065 17.904 15.977 14.237 12.644 11.160 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.549 28.671 25.369 22.537 20.078 17.917 15.991 14.252 12.660 11.178 9.768 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.571 28.692 25.388 22.555 20.096 17.935 16.010 14.271 12.681 11.202 9.797 8.428 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.600 28.719 25.414 22.579 20.120 17.959 16.034 14.298 12.710 11.235 9.836 8.476 7.129 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.638 28.753 25.446 22.611 20.151 17.990 16.066 14.332 12.746 11.276 9.885 8.538 7.206 5.901 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.686 28.797 25.488 22.651 20.190 18.030 16.107 14.374 12.793 11.328 9.946 8.615 7.305 6.000 4.839 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.722 28.831 25.520 22.682 20.221 18.060 16.138 14.407 12.828 11.367 9.993 8.673 7.381 6.089 4.763 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.773 28.879 25.565 22.725 20.263 18.102 16.182 14.453 12.878 11.422 10.058 8.754 7.486 6.223 4.855 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.823 28.925 25.609 22.768 20.305 18.144 16.225 14.498 12.926 11.476 10.120 8.832 7.588 6.356 5.017 10.545 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.872 28.971 25.653 22.809 20.346 18.185 16.267 14.542 12.973 11.528 10.181 8.907 7.684 6.486 5.198 6.544 8.139 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.920 29.016 25.695 22.850 20.386 18.225 16.308 14.585 13.019 11.579 10.239 8.978 7.776 6.609 5.379 5.597 6.085 7.037 8.412 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.966 29.059 25.737 22.891 20.425 18.265 16.348 14.627 13.064 11.628 10.295 9.046 7.862 6.724 5.552 5.201 5.334 5.684 6.309 7.169 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.012 29.102 25.778 22.930 20.464 18.303 16.387 14.668 13.108 11.676 10.350 9.110 7.943 6.832 5.713 5.000 4.973 5.069 5.320 5.746 6.316 6.927 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.056 29.145 25.818 22.969 20.502 18.341 16.426 14.709 13.151 11.723 10.402 9.172 8.020 6.931 5.858 4.892 4.779 4.743 4.805 4.981 5.275 5.665 6.093 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.100 29.186 25.857 23.007 20.539 18.379 16.464 14.748 13.193 11.769 10.453 9.231 8.091 7.022 5.989 4.836 4.669 4.557 4.511 4.543 4.661 4.863 5.133 5.435 5.729 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.142 29.226 25.896 23.044 20.576 18.415 16.501 14.787 13.234 11.813 10.503 9.288 8.158 7.104 6.104 4.812 4.610 4.449 4.336 4.279 4.285 4.357 4.492 4.678 4.893 5.112 5.313 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.184 29.266 25.934 23.081 20.612 18.451 16.538 14.825 13.274 11.856 10.550 9.341 8.220 7.180 6.205 4.808 4.582 4.388 4.231 4.116 4.048 4.032 4.068 4.153 4.278 4.430 4.593 4.754 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.224 29.305 25.971 23.117 20.648 18.487 16.574 14.862 13.313 11.899 10.597 9.393 8.279 7.248 6.292 4.818 4.574 4.357 4.169 4.014 3.897 3.819 3.784 3.792 3.839 3.919 4.024 4.145 4.272 4.401 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.264 29.344 26.008 23.153 20.683 18.521 16.609 14.899 13.352 11.940 10.642 9.442 8.334 7.310 6.367 4.837 4.581 4.346 4.136 3.953 3.800 3.679 3.593 3.543 3.527 3.545 3.592 3.662 3.749 3.849 3.959 99999.999 99999.999 99999.999 99999.999 99999.999 33.303 29.381 26.044 23.188 20.717 18.556 16.644 14.935 13.390 11.980 10.685 9.490 8.386 7.367 6.432 4.864 4.597 4.350 4.124 3.920 3.741 3.588 3.464 3.370 3.307 3.274 3.269 3.290 3.333 3.395 3.472 3.564 3.668 99999.999 99999.999 99999.999 33.341 29.418 26.080 23.222 20.751 18.589 16.678 14.970 13.427 12.020 10.728 9.536 8.435 7.420 6.489 4.895 4.621 4.364 4.125 3.906 3.707 3.531 3.379 3.252 3.152 3.078 3.030 3.008 3.009 3.031 3.072 3.131 3.206 3.298 99999.999 99999.999 33.378 29.454 26.115 23.256 20.784 18.622 16.712 15.005 13.463 12.059 10.769 9.580 8.482 7.470 6.540 4.930 4.650 4.386 4.137 3.906 3.692 3.498 3.325 3.173 3.044 2.938 2.855 2.796 2.760 2.745 2.750 2.775 2.818 2.879 2.957 3.054 33.415 29.490 26.149 23.290 20.817 18.655 16.745 15.039 13.499 12.097 10.810 9.624 8.528 7.517 6.587 4.968 4.683 4.413 4.157 3.916 3.691 3.483 3.293 3.122 2.970 2.839 2.728 2.639 2.571 2.523 2.496 2.488 2.498 2.528 2.575 2.641 33.740 29.815 26.466 23.598 21.119 18.956 17.048 15.350 13.824 12.441 11.176 10.014 8.942 7.950 7.031 5.392 5.093 4.803 4.521 4.248 3.984 3.727 3.478 3.238 3.005 2.780 2.564 2.355 2.154 1.962 1.779 1.604 1.438 1.281 1.133 0.994 34.005 30.093 26.741 23.868 21.384 19.219 17.313 15.620 14.103 12.733 11.486 10.343 9.291 8.318 7.417 5.801 5.505 5.216 4.935 4.661 4.394 4.133 3.879 3.631 3.388 3.151 2.920 2.694 2.473 2.256 2.045 1.838 1.635 1.437 1.244 1.054 34.222 30.333 26.983 24.107 21.620 19.453 17.547 15.858 14.348 12.988 11.754 10.626 9.591 8.635 7.751 6.166 5.874 5.591 5.314 5.045 4.782 4.525 4.274 4.028 3.788 3.553 3.323 3.097 2.875 2.658 2.444 2.234 2.027 1.823 1.622 1.424 34.403 30.543 27.199 24.322 21.833 19.664 17.759 16.071 14.566 13.213 11.989 10.874 9.853 8.912 8.043 6.487 6.202 5.923 5.653 5.388 5.131 4.879 4.633 4.393 4.158 3.928 3.702 3.480 3.263 3.050 2.840 2.633 2.429 2.229 2.031 1.835 34.553 30.729 27.393 24.516 22.027 19.857 17.951 16.265 14.763 13.416 12.200 11.094 10.085 9.157 8.301 6.772 6.492 6.219 5.953 5.694 5.442 5.196 4.955 4.720 4.490 4.265 4.045 3.829 3.617 3.408 3.204 3.002 2.804 2.608 2.416 2.225 34.678 30.895 27.569 24.695 22.205 20.034 18.128 16.443 14.944 13.601 12.390 11.293 10.292 9.375 8.531 7.026 6.750 6.482 6.222 5.968 5.720 5.479 5.243 5.013 4.788 4.568 4.353 4.142 3.935 3.732 3.532 3.336 3.143 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-5.167 -5.337 -5.459 -5.539 -5.585 -5.603 -5.600 -5.579 -5.545 -5.500 -5.449 -5.393 -5.271 -5.246 -5.220 -5.195 -5.169 -5.144 -5.118 -5.093 -5.068 -5.044 -5.020 -4.996 -4.973 -4.950 -4.929 -4.908 -4.888 -4.868 -4.850 -4.833 -4.817 99999.999 -4.664 -4.901 -5.112 -5.274 -5.391 -5.467 -5.509 -5.523 -5.515 -5.488 -5.448 -5.396 -5.337 -5.272 -5.132 -5.103 -5.074 -5.045 -5.016 -4.987 -4.958 -4.929 -4.901 -4.872 -4.845 -4.817 -4.791 -4.765 -4.739 -4.715 -4.691 -4.668 -4.646 -4.625 -4.606 trevorite NiFe2O4 Ssln ID, Coef: 14 1.000 P-T:All Wt.(g/mol) = 234.382 V(cc/mol) = 43.650 D(g/cc) = 5.370 Ref: H&P2011 6 -5.750 1 -0.250 6 1.000 26 2.000 11 0.250 4 3.000 2 32.723 28.760 25.379 22.473 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.723 28.760 25.379 22.474 19.948 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.724 28.762 25.380 22.475 19.950 17.726 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.727 28.765 25.383 22.477 19.952 17.729 15.745 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.733 28.770 25.387 22.482 19.956 17.733 15.750 13.956 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.741 28.777 25.395 22.489 19.963 17.740 15.757 13.964 12.320 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.753 28.789 25.405 22.499 19.973 17.750 15.767 13.975 12.332 10.802 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.771 28.805 25.421 22.514 19.988 17.765 15.782 13.990 12.349 10.821 9.366 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.795 28.827 25.442 22.534 20.007 17.784 15.802 14.012 12.372 10.847 9.397 7.984 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.827 28.857 25.470 22.561 20.034 17.811 15.829 14.040 12.402 10.881 9.437 8.034 6.646 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.868 28.895 25.506 22.596 20.068 17.845 15.864 14.076 12.442 10.925 9.489 8.098 6.725 5.382 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.920 28.944 25.552 22.640 20.111 17.888 15.908 14.123 12.492 10.980 9.554 8.179 6.828 5.484 4.295 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.960 28.981 25.587 22.674 20.144 17.921 15.942 14.158 12.530 11.022 9.603 8.240 6.906 5.574 4.214 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.017 29.033 25.637 22.722 20.191 17.968 15.990 14.208 12.583 11.081 9.671 8.325 7.016 5.712 4.305 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.071 29.085 25.686 22.769 20.237 18.014 16.037 14.257 12.635 11.138 9.738 8.407 7.121 5.849 4.470 10.195 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.125 29.135 25.734 22.815 20.282 18.059 16.083 14.305 12.686 11.194 9.802 8.485 7.221 5.982 4.655 6.036 7.694 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.178 29.185 25.781 22.860 20.326 18.103 16.128 14.351 12.735 11.248 9.863 8.559 7.316 6.109 4.840 5.054 5.559 6.549 7.985 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.229 29.234 25.827 22.905 20.370 18.146 16.172 14.397 12.784 11.301 9.923 8.631 7.406 6.229 5.017 4.642 4.779 5.143 5.792 6.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.279 29.281 25.873 22.948 20.413 18.189 16.215 14.442 12.831 11.352 9.981 8.699 7.491 6.340 5.182 4.433 4.404 4.503 4.763 5.206 5.802 6.444 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.329 29.328 25.917 22.991 20.455 18.231 16.257 14.486 12.878 11.403 10.037 8.764 7.571 6.443 5.332 4.321 4.202 4.164 4.227 4.409 4.715 5.122 5.572 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.377 29.374 25.961 23.034 20.496 18.272 16.299 14.529 12.923 11.452 10.091 8.827 7.645 6.537 5.467 4.262 4.088 3.971 3.922 3.954 4.075 4.285 4.566 4.884 5.194 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.424 29.419 26.004 23.075 20.537 18.312 16.340 14.571 12.968 11.499 10.144 8.886 7.715 6.623 5.586 4.237 4.026 3.858 3.739 3.679 3.684 3.758 3.897 4.091 4.316 4.547 4.759 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.470 29.463 26.047 23.116 20.577 18.352 16.380 14.613 13.011 11.546 10.195 8.943 7.781 6.702 5.690 4.233 3.997 3.794 3.629 3.508 3.437 3.418 3.454 3.542 3.672 3.830 4.001 4.170 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.515 29.507 26.089 23.157 20.617 18.391 16.420 14.653 13.054 11.592 10.245 8.998 7.843 6.773 5.780 4.243 3.989 3.761 3.564 3.402 3.278 3.196 3.158 3.164 3.212 3.294 3.403 3.529 3.662 3.797 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.560 29.550 26.130 23.197 20.655 18.430 16.459 14.694 13.096 11.636 10.293 9.051 7.901 6.839 5.858 4.264 3.995 3.750 3.530 3.338 3.177 3.050 2.958 2.904 2.886 2.903 2.950 3.021 3.112 3.215 3.329 99999.999 99999.999 99999.999 99999.999 99999.999 33.603 29.592 26.170 23.236 20.694 18.468 16.497 14.733 13.137 11.680 10.339 9.101 7.956 6.899 5.926 4.291 4.013 3.754 3.517 3.303 3.115 2.954 2.823 2.724 2.656 2.619 2.612 2.631 2.674 2.737 2.816 2.909 3.017 99999.999 99999.999 99999.999 33.645 29.633 26.210 23.274 20.731 18.505 16.534 14.772 13.177 11.723 10.385 9.150 8.008 6.954 5.985 4.324 4.038 3.769 3.518 3.288 3.080 2.894 2.734 2.600 2.493 2.414 2.362 2.336 2.334 2.355 2.395 2.454 2.529 2.622 99999.999 99999.999 33.687 29.674 26.249 23.312 20.768 18.542 16.572 14.810 13.217 11.765 10.430 9.198 8.058 7.006 6.039 4.361 4.068 3.791 3.531 3.288 3.064 2.860 2.677 2.517 2.379 2.267 2.178 2.114 2.073 2.054 2.057 2.080 2.121 2.181 2.259 2.355 33.728 29.714 26.288 23.349 20.805 18.578 16.608 14.847 13.256 11.806 10.473 9.244 8.107 7.057 6.089 4.400 4.103 3.819 3.551 3.299 3.063 2.844 2.644 2.463 2.302 2.163 2.045 1.949 1.874 1.822 1.790 1.778 1.785 1.812 1.857 1.921 34.095 30.081 26.645 23.696 21.144 18.914 16.945 15.191 13.613 12.180 10.869 9.663 8.549 7.516 6.559 4.845 4.532 4.227 3.932 3.645 3.366 3.096 2.834 2.580 2.335 2.097 1.867 1.646 1.433 1.229 1.033 0.846 0.668 0.499 0.340 0.190 34.400 30.399 26.958 24.002 21.444 19.210 17.241 15.491 13.921 12.501 11.207 10.019 8.924 7.910 6.969 5.277 4.966 4.662 4.366 4.077 3.796 3.521 3.252 2.990 2.733 2.482 2.237 1.997 1.761 1.531 1.305 1.085 0.868 0.656 0.449 0.245 34.655 30.676 27.236 24.276 21.713 19.475 17.506 15.757 14.193 12.782 11.500 10.327 9.248 8.251 7.327 5.664 5.357 5.058 4.767 4.482 4.205 3.933 3.667 3.407 3.152 2.903 2.658 2.417 2.181 1.949 1.720 1.495 1.274 1.055 0.840 0.627 34.871 30.922 27.486 24.524 21.957 19.716 17.746 15.998 14.437 13.033 11.760 10.599 9.534 8.551 7.641 6.007 5.706 5.412 5.126 4.847 4.574 4.307 4.047 3.791 3.541 3.296 3.055 2.819 2.587 2.359 2.134 1.912 1.694 1.478 1.265 1.054 35.056 31.143 27.714 24.751 22.181 19.938 17.966 16.219 14.660 13.260 11.995 10.843 9.788 8.818 7.921 6.312 6.016 5.728 5.447 5.172 4.905 4.643 4.388 4.138 3.893 3.653 3.417 3.186 2.959 2.735 2.516 2.299 2.086 1.875 1.667 1.461 35.215 31.343 27.923 24.960 22.389 20.144 18.170 16.422 14.865 13.469 12.208 11.063 10.018 9.057 8.171 6.585 6.294 6.011 5.734 5.465 5.202 4.945 4.694 4.449 4.209 3.974 3.743 3.517 3.295 3.076 2.862 2.650 2.442 2.236 2.034 1.833 35.353 31.526 28.116 25.155 22.583 20.336 18.361 16.613 15.056 13.662 12.405 11.265 10.227 9.275 8.398 6.832 6.545 6.266 5.994 5.728 5.470 5.217 4.971 4.730 4.494 4.263 4.037 3.815 3.598 3.384 3.174 2.967 2.763 2.563 2.365 2.169 99999.999 31.695 28.296 25.337 22.765 20.517 18.540 16.791 15.235 13.842 12.588 11.452 10.419 9.474 8.605 7.057 6.773 6.498 6.229 5.968 5.713 5.464 5.221 4.984 4.752 4.525 4.303 4.085 3.871 3.662 3.455 3.253 3.053 2.857 2.663 2.472 trevorite NiFe2O4 Ssln ID, Coef: 14 1.000 P-T:All Wt.(g/mol) = 234.382 V(cc/mol) = 43.650 D(g/cc) = 5.370 Ref: H&P2011 5 -6.000 1 1.000 26 2.000 11 0.500 31 3.000 2 -5.302 -5.819 -6.231 -6.555 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.302 -5.819 -6.231 -6.555 -6.814 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.301 -5.818 -6.230 -6.554 -6.813 -7.028 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.298 -5.816 -6.228 -6.552 -6.811 -7.026 -7.215 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.295 -5.812 -6.225 -6.549 -6.808 -7.023 -7.212 -7.388 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.288 -5.806 -6.219 -6.544 -6.803 -7.018 -7.206 -7.382 -7.557 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.279 -5.798 -6.211 -6.536 -6.795 -7.010 -7.198 -7.374 -7.548 -7.734 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.266 -5.786 -6.200 -6.525 -6.785 -7.000 -7.187 -7.362 -7.535 -7.719 -7.933 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.248 -5.769 -6.185 -6.510 -6.770 -6.985 -7.172 -7.346 -7.517 -7.699 -7.909 -8.164 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.224 -5.748 -6.164 -6.491 -6.751 -6.965 -7.152 -7.324 -7.494 -7.673 -7.877 -8.125 -8.418 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.194 -5.720 -6.138 -6.465 -6.725 -6.940 -7.125 -7.296 -7.463 -7.639 -7.837 -8.074 -8.357 -8.638 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.155 -5.684 -6.104 -6.433 -6.694 -6.908 -7.092 -7.261 -7.425 -7.596 -7.786 -8.010 -8.278 -8.576 -8.672 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.126 -5.657 -6.078 -6.408 -6.669 -6.883 -7.067 -7.234 -7.396 -7.563 -7.747 -7.962 -8.216 -8.511 -8.821 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.085 -5.619 -6.042 -6.373 -6.635 -6.849 -7.031 -7.196 -7.355 -7.517 -7.693 -7.894 -8.129 -8.407 -8.797 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.045 -5.582 -6.007 -6.339 -6.602 -6.815 -6.996 -7.160 -7.316 -7.473 -7.642 -7.830 -8.045 -8.300 -8.684 -0.474 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.898 -5.442 -5.874 -6.210 -6.475 -6.687 -6.865 -7.022 -7.167 -7.309 -7.452 -7.598 -7.748 -7.904 -8.114 -7.083 -6.747 -6.274 -5.622 -4.762 -3.718 -2.597 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.864 -5.410 -5.843 -6.180 -6.445 -6.657 -6.834 -6.989 -7.132 -7.271 -7.409 -7.547 -7.684 -7.822 -7.991 -7.246 -7.014 -6.696 -6.270 -5.712 -5.013 -4.194 -3.314 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.830 -5.378 -5.812 -6.150 -6.415 -6.628 -6.804 -6.957 -7.098 -7.233 -7.367 -7.498 -7.625 -7.746 -7.882 -7.346 -7.178 -6.953 -6.656 -6.272 -5.789 -5.206 -4.540 -3.826 -3.110 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.798 -5.347 -5.782 -6.121 -6.387 -6.599 -6.774 -6.926 -7.065 -7.197 -7.326 -7.452 -7.570 -7.678 -7.786 -7.407 -7.283 -7.117 -6.901 -6.624 -6.277 -5.855 -5.360 -4.803 -4.208 -3.601 -3.011 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.767 -5.316 -5.752 -6.092 -6.358 -6.570 -6.745 -6.896 -7.033 -7.162 -7.287 -7.408 -7.519 -7.616 -7.702 -7.444 -7.350 -7.225 -7.062 -6.856 -6.599 -6.285 -5.913 -5.486 -5.010 -4.503 -3.980 -3.458 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.737 -5.286 -5.724 -6.064 -6.331 -6.543 -6.717 -6.866 -7.001 -7.128 -7.250 -7.366 -7.471 -7.561 -7.632 -7.462 -7.390 -7.295 -7.170 -7.013 -6.817 -6.579 -6.295 -5.965 -5.590 -5.178 -4.737 -4.279 -3.815 -3.351 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.707 -5.257 -5.695 -6.037 -6.303 -6.515 -6.689 -6.837 -6.970 -7.094 -7.213 -7.325 -7.427 -7.511 -7.572 -7.468 -7.413 -7.339 -7.243 -7.121 -6.969 -6.785 -6.564 -6.306 -6.010 -5.678 -5.315 -4.927 -4.521 -4.104 -3.680 99999.999 99999.999 99999.999 99999.999 99999.999 -4.678 -5.229 -5.668 -6.010 -6.277 -6.489 -6.661 -6.808 -6.939 -7.062 -7.178 -7.287 -7.385 -7.465 -7.521 -7.465 -7.423 -7.365 -7.290 -7.194 -7.075 -6.930 -6.757 -6.553 -6.317 -6.050 -5.754 -5.430 -5.084 -4.720 -4.342 -3.953 -3.555 99999.999 99999.999 99999.999 -4.651 -5.201 -5.641 -5.983 -6.251 -6.462 -6.635 -6.780 -6.910 -7.030 -7.143 -7.250 -7.346 -7.424 -7.478 -7.455 -7.423 -7.378 -7.319 -7.243 -7.149 -7.034 -6.896 -6.733 -6.544 -6.328 -6.086 -5.818 -5.528 -5.216 -4.887 -4.542 -4.184 -3.814 99999.999 99999.999 -4.624 -5.174 -5.614 -5.957 -6.225 -6.437 -6.608 -6.753 -6.881 -6.999 -7.110 -7.214 -7.308 -7.385 -7.440 -7.440 -7.416 -7.381 -7.335 -7.275 -7.199 -7.107 -6.996 -6.865 -6.713 -6.538 -6.339 -6.118 -5.875 -5.611 -5.328 -5.028 -4.713 -4.383 -4.039 -3.681 -4.597 -5.148 -5.588 -5.932 -6.200 -6.412 -6.583 -6.726 -6.852 -6.968 -7.077 -7.179 -7.271 -7.349 -7.404 -7.421 -7.403 -7.377 -7.340 -7.292 -7.232 -7.158 -7.069 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-6.305 -6.307 -6.309 -6.312 -6.314 -6.318 -6.322 -6.326 -6.331 -6.337 -6.344 -6.352 -6.362 -6.372 -3.965 -4.350 -4.745 -5.076 -5.339 -5.543 -5.698 -5.813 -5.898 -5.958 -6.001 -6.029 -6.048 -6.060 -6.066 -6.066 -6.065 -6.063 -6.062 -6.059 -6.057 -6.055 -6.053 -6.051 -6.050 -6.049 -6.048 -6.048 -6.048 -6.049 -6.051 -6.054 -6.058 -6.063 -6.069 -6.077 -3.940 -4.269 -4.645 -4.968 -5.226 -5.427 -5.579 -5.691 -5.772 -5.827 -5.863 -5.883 -5.893 -5.894 -5.890 -5.868 -5.863 -5.857 -5.851 -5.845 -5.839 -5.833 -5.827 -5.821 -5.816 -5.810 -5.806 -5.802 -5.798 -5.796 -5.794 -5.793 -5.793 -5.794 -5.796 -5.800 -3.935 -4.204 -4.559 -4.872 -5.125 -5.322 -5.471 -5.581 -5.658 -5.709 -5.739 -5.753 -5.754 -5.747 -5.733 -5.692 -5.683 -5.673 -5.664 -5.654 -5.644 -5.634 -5.624 -5.615 -5.605 -5.597 -5.588 -5.580 -5.573 -5.567 -5.561 -5.556 -5.553 -5.550 -5.548 -5.548 99999.999 -4.151 -4.484 -4.787 -5.034 -5.227 -5.374 -5.480 -5.554 -5.601 -5.627 -5.635 -5.630 -5.615 -5.593 -5.535 -5.522 -5.509 -5.496 -5.482 -5.469 -5.456 -5.442 -5.429 -5.417 -5.404 -5.393 -5.381 -5.371 -5.361 -5.352 -5.343 -5.336 -5.330 -5.324 -5.320 minnesotaite Fe3Si4O12H2 P-T:All Wt.(g/mol) = 473.879 V(cc/mol) = 148.510 D(g/cc) = 3.191 Ref: H&P2011 4 3.000 11 4.000 7 -4.000 2 -6.000 1 18.051 15.817 13.738 11.909 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.051 15.817 13.738 11.909 10.315 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.053 15.818 13.740 11.911 10.317 8.922 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.056 15.822 13.744 11.915 10.321 8.925 7.690 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.060 15.828 13.750 11.921 10.327 8.932 7.696 6.586 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.068 15.837 13.759 11.931 10.337 8.942 7.707 6.597 5.582 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.079 15.850 13.774 11.945 10.352 8.957 7.723 6.614 5.600 4.650 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.094 15.869 13.794 11.966 10.373 8.979 7.746 6.638 5.626 4.678 3.761 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.115 15.895 13.822 11.995 10.402 9.009 7.776 6.670 5.660 4.717 3.805 2.888 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.142 15.929 13.858 12.032 10.441 9.048 7.817 6.713 5.706 4.767 3.862 2.957 2.022 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.176 15.972 13.904 12.080 10.489 9.098 7.869 6.768 5.765 4.831 3.936 3.046 2.129 1.186 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.216 16.025 13.962 12.139 10.550 9.161 7.934 6.836 5.838 4.912 4.028 3.156 2.266 1.333 0.456 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.245 16.065 14.005 12.184 10.596 9.208 7.984 6.888 5.894 4.973 4.097 3.239 2.369 1.456 0.444 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.283 16.118 14.064 12.246 10.660 9.274 8.052 6.961 5.971 5.057 4.194 3.354 2.512 1.634 0.603 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.318 16.169 14.120 12.305 10.721 9.337 8.118 7.030 6.046 5.139 4.286 3.464 2.649 1.808 0.818 6.280 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.349 16.216 14.173 12.361 10.779 9.398 8.182 7.097 6.118 5.218 4.375 3.569 2.779 1.976 1.045 2.724 4.227 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.376 16.260 14.224 12.415 10.836 9.456 8.243 7.162 6.187 5.293 4.460 3.669 2.902 2.134 1.268 1.939 2.447 3.365 4.648 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.400 16.301 14.272 12.466 10.889 9.513 8.302 7.225 6.254 5.366 4.542 3.764 3.018 2.284 1.480 1.646 1.839 2.222 2.842 3.663 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.420 16.339 14.317 12.515 10.941 9.567 8.358 7.285 6.318 5.437 4.621 3.856 3.128 2.423 1.676 1.524 1.578 1.736 2.028 2.469 3.030 3.614 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.438 16.375 14.360 12.562 10.990 9.618 8.413 7.343 6.381 5.504 4.696 3.942 3.232 2.552 1.856 1.483 1.462 1.507 1.633 1.856 2.178 2.579 3.003 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.452 16.408 14.400 12.606 11.037 9.668 8.466 7.399 6.441 5.570 4.769 4.025 3.329 2.671 2.018 1.485 1.420 1.399 1.432 1.531 1.701 1.940 2.234 2.550 2.848 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.463 16.438 14.438 12.649 11.083 9.716 8.516 7.453 6.499 5.633 4.839 4.104 3.421 2.782 2.164 1.512 1.418 1.356 1.334 1.356 1.431 1.559 1.739 1.959 2.199 2.436 2.652 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.471 16.466 14.474 12.689 11.126 9.762 8.565 7.505 6.555 5.694 4.906 4.179 3.507 2.883 2.294 1.554 1.441 1.353 1.293 1.268 1.280 1.334 1.430 1.566 1.732 1.918 2.110 2.295 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.476 16.491 14.508 12.727 11.167 9.806 8.612 7.555 6.609 5.753 4.970 4.251 3.588 2.977 2.409 1.607 1.480 1.374 1.289 1.231 1.202 1.205 1.242 1.312 1.414 1.542 1.688 1.845 2.005 2.163 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.478 16.514 14.539 12.763 11.206 9.848 8.656 7.603 6.661 5.809 5.032 4.319 3.664 3.063 2.511 1.666 1.530 1.410 1.308 1.228 1.170 1.137 1.131 1.154 1.205 1.281 1.380 1.497 1.627 1.766 1.911 99999.999 99999.999 99999.999 99999.999 99999.999 18.478 16.534 14.568 12.797 11.244 9.888 8.700 7.649 6.711 5.864 5.092 4.385 3.736 3.143 2.601 1.729 1.586 1.457 1.343 1.246 1.167 1.109 1.073 1.060 1.071 1.106 1.163 1.240 1.335 1.444 1.566 1.699 1.843 99999.999 99999.999 99999.999 18.475 16.552 14.596 12.829 11.279 9.927 8.741 7.694 6.760 5.917 5.150 4.448 3.805 3.217 2.683 1.794 1.647 1.511 1.388 1.279 1.185 1.109 1.050 1.011 0.992 0.993 1.016 1.058 1.118 1.196 1.289 1.396 1.518 1.653 99999.999 99999.999 18.469 16.568 14.621 12.860 11.313 9.964 8.781 7.737 6.807 5.968 5.205 4.508 3.870 3.287 2.757 1.862 1.710 1.570 1.440 1.322 1.218 1.127 1.052 0.993 0.951 0.927 0.921 0.934 0.964 1.012 1.076 1.156 1.251 1.362 1.488 1.631 18.461 16.582 14.644 12.888 11.346 9.999 8.819 7.779 6.852 6.017 5.259 4.567 3.933 3.354 2.827 1.929 1.776 1.631 1.497 1.373 1.260 1.159 1.071 0.997 0.937 0.893 0.865 0.854 0.858 0.880 0.917 0.971 1.040 1.125 1.226 1.343 18.255 16.615 14.783 13.087 11.585 10.272 9.123 8.115 7.222 6.426 5.710 5.060 4.469 3.931 3.439 2.578 2.424 2.275 2.131 1.993 1.859 1.730 1.606 1.486 1.372 1.262 1.157 1.057 0.963 0.874 0.791 0.714 0.643 0.578 0.521 0.470 17.856 16.484 14.774 13.149 11.697 10.421 9.307 8.330 7.471 6.710 6.030 5.419 4.867 4.366 3.910 3.115 2.972 2.834 2.700 2.570 2.444 2.322 2.203 2.088 1.975 1.866 1.759 1.655 1.553 1.454 1.358 1.264 1.172 1.083 0.995 0.911 17.305 16.222 14.648 13.103 11.706 10.473 9.394 8.451 7.625 6.897 6.251 5.675 5.158 4.692 4.271 3.541 3.411 3.285 3.163 3.045 2.931 2.820 2.712 2.607 2.505 2.406 2.308 2.213 2.120 2.028 1.938 1.850 1.763 1.677 1.592 1.508 16.629 15.852 14.424 12.968 11.631 10.445 9.405 8.496 7.702 7.005 6.391 5.847 5.363 4.930 4.541 3.874 3.756 3.642 3.532 3.426 3.323 3.224 3.128 3.035 2.944 2.856 2.770 2.685 2.603 2.522 2.443 2.365 2.288 2.212 2.136 2.062 15.851 15.394 14.120 12.758 11.486 10.349 9.350 8.477 7.715 7.049 6.466 5.953 5.500 5.097 4.738 4.130 4.023 3.920 3.822 3.727 3.635 3.547 3.462 3.380 3.300 3.223 3.148 3.075 3.003 2.933 2.865 2.798 2.731 2.666 2.601 2.537 14.986 14.860 13.748 12.484 11.281 10.197 9.240 8.404 7.675 7.040 6.487 6.003 5.578 5.205 4.874 4.321 4.225 4.133 4.045 3.960 3.880 3.802 3.727 3.655 3.586 3.519 3.454 3.391 3.330 3.270 3.212 3.155 3.099 3.044 2.989 2.936 14.048 14.261 13.317 12.156 11.026 9.996 9.084 8.285 7.590 6.986 6.462 6.006 5.609 5.262 4.959 4.458 4.372 4.290 4.212 4.137 4.066 3.998 3.933 3.871 3.811 3.754 3.698 3.645 3.593 3.543 3.494 3.446 3.400 3.354 3.309 3.265 99999.999 13.607 12.835 11.781 10.725 9.753 8.887 8.127 7.466 6.892 6.397 5.968 5.598 5.278 5.000 4.548 4.472 4.399 4.331 4.265 4.204 4.145 4.089 4.036 3.985 3.936 3.889 3.845 3.802 3.760 3.720 3.681 3.643 3.605 3.569 3.533 minnesotaite-Mg Mg3Si4O12H2 P-T:All Wt.(g/mol) = 379.259 V(cc/mol) = 142.910 D(g/cc) = 2.654 Ref: H&P2011 4 3.000 10 4.000 7 -4.000 2 -6.000 1 32.027 28.589 25.509 22.840 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.027 28.589 25.509 22.840 20.534 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.028 28.591 25.511 22.841 20.536 18.533 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.031 28.594 25.514 22.845 20.540 18.536 16.777 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.035 28.599 25.519 22.851 20.545 18.543 16.784 15.218 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.041 28.607 25.528 22.860 20.555 18.552 16.794 15.229 13.817 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.051 28.620 25.541 22.873 20.569 18.566 16.809 15.245 13.834 12.534 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.065 28.637 25.560 22.892 20.588 18.587 16.830 15.268 13.858 12.561 11.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.084 28.660 25.585 22.918 20.615 18.615 16.859 15.299 13.892 12.598 11.377 10.183 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.107 28.691 25.618 22.953 20.650 18.651 16.897 15.339 13.936 12.647 11.433 10.251 9.070 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.137 28.729 25.660 22.996 20.695 18.698 16.946 15.391 13.992 12.710 11.506 10.339 9.177 8.026 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.172 28.777 25.712 23.050 20.751 18.756 17.007 15.457 14.063 12.788 11.596 10.449 9.314 8.168 7.149 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.197 28.812 25.750 23.091 20.793 18.800 17.053 15.506 14.116 12.847 11.664 10.532 9.417 8.288 7.103 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.230 28.859 25.803 23.147 20.852 18.861 17.118 15.574 14.190 12.929 11.758 10.646 9.560 8.466 7.244 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.259 28.903 25.853 23.200 20.907 18.919 17.179 15.640 14.261 13.008 11.849 10.755 9.697 8.641 7.455 13.789 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.284 28.944 25.901 23.251 20.961 18.975 17.238 15.703 14.330 13.084 11.936 10.859 9.828 8.810 7.684 9.527 11.313 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.306 28.982 25.945 23.299 21.012 19.028 17.295 15.764 14.396 13.157 12.019 10.958 9.951 8.971 7.911 8.570 9.166 10.261 11.827 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.324 29.017 25.987 23.345 21.060 19.080 17.350 15.823 14.459 13.227 12.099 11.052 10.068 9.122 8.127 8.196 8.417 8.868 9.611 10.615 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.339 29.050 26.027 23.388 21.106 19.129 17.402 15.879 14.520 13.294 12.175 11.142 10.177 9.262 8.327 8.026 8.081 8.262 8.608 9.139 9.829 10.570 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.351 29.079 26.064 23.429 21.151 19.176 17.452 15.933 14.579 13.359 12.248 11.227 10.280 9.392 8.510 7.952 7.917 7.962 8.109 8.374 8.766 9.261 9.801 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.360 29.106 26.098 23.468 21.193 19.221 17.500 15.985 14.636 13.422 12.319 11.308 10.377 9.512 8.676 7.930 7.841 7.808 7.842 7.957 8.162 8.455 8.821 9.226 9.623 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.365 29.131 26.131 23.505 21.233 19.264 17.547 16.035 14.691 13.482 12.386 11.385 10.467 9.622 8.824 7.939 7.815 7.732 7.699 7.722 7.809 7.966 8.189 8.465 8.775 9.090 9.389 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.368 29.153 26.161 23.540 21.271 19.305 17.591 16.083 14.743 13.540 12.451 11.459 10.552 9.723 8.954 7.967 7.820 7.704 7.626 7.590 7.602 7.667 7.785 7.955 8.168 8.409 8.664 8.918 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.368 29.172 26.189 23.572 21.307 19.344 17.634 16.130 14.794 13.596 12.513 11.528 10.632 9.816 9.070 8.008 7.844 7.706 7.597 7.521 7.482 7.484 7.529 7.618 7.748 7.914 8.105 8.314 8.531 8.751 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.365 29.189 26.215 23.603 21.341 19.382 17.674 16.174 14.843 13.650 12.573 11.595 10.707 9.901 9.171 8.058 7.882 7.727 7.597 7.492 7.418 7.376 7.369 7.398 7.464 7.563 7.693 7.848 8.021 8.209 8.407 99999.999 99999.999 99999.999 99999.999 99999.999 32.360 29.204 26.238 23.632 21.374 19.417 17.713 16.217 14.890 13.702 12.630 11.658 10.777 9.979 9.260 8.113 7.928 7.762 7.615 7.491 7.391 7.318 7.273 7.258 7.274 7.321 7.397 7.500 7.626 7.772 7.936 8.115 8.308 99999.999 99999.999 99999.999 32.352 29.217 26.260 23.659 21.405 19.451 17.751 16.258 14.935 13.751 12.685 11.719 10.844 10.052 9.340 8.172 7.981 7.805 7.648 7.509 7.390 7.293 7.220 7.172 7.151 7.156 7.188 7.246 7.328 7.433 7.557 7.701 7.863 8.042 99999.999 99999.999 32.341 29.227 26.280 23.684 21.434 19.484 17.786 16.297 14.978 13.800 12.738 11.778 10.907 10.120 9.412 8.233 8.037 7.855 7.689 7.539 7.406 7.292 7.198 7.126 7.075 7.048 7.045 7.066 7.109 7.175 7.262 7.370 7.497 7.643 7.808 7.993 32.328 29.236 26.298 23.708 21.461 19.515 17.821 16.335 15.020 13.846 12.789 11.834 10.968 10.185 9.480 8.296 8.096 7.910 7.737 7.579 7.435 7.308 7.198 7.107 7.034 6.982 6.951 6.941 6.952 6.984 7.037 7.111 7.204 7.316 7.448 7.600 32.075 29.216 26.384 23.855 21.653 19.743 18.084 16.634 15.357 14.226 13.214 12.305 11.484 10.742 10.071 8.915 8.710 8.514 8.325 8.144 7.971 7.804 7.645 7.493 7.349 7.211 7.080 6.957 6.842 6.734 6.634 6.542 6.459 6.384 6.317 6.260 31.632 29.034 26.325 23.870 21.719 19.850 18.227 16.813 15.573 14.480 13.509 12.641 11.862 11.160 10.527 9.435 9.241 9.054 8.874 8.701 8.533 8.372 8.215 8.064 7.918 7.777 7.640 7.508 7.380 7.255 7.135 7.019 6.906 6.798 6.692 6.591 31.039 28.724 26.150 23.777 21.684 19.861 18.277 16.899 15.695 14.637 13.703 12.873 12.132 11.468 10.871 9.848 9.666 9.492 9.324 9.163 9.007 8.856 8.710 8.569 8.433 8.301 8.172 8.048 7.926 7.808 7.693 7.580 7.470 7.363 7.257 7.154 30.323 28.309 25.881 23.597 21.567 19.792 18.250 16.908 15.739 14.716 13.816 13.022 12.316 11.687 11.125 10.167 9.999 9.837 9.682 9.532 9.388 9.250 9.116 8.987 8.862 8.741 8.624 8.510 8.399 8.292 8.187 8.084 7.984 7.885 7.789 7.694 29.507 27.806 25.532 23.344 21.380 19.658 18.159 16.855 15.721 14.731 13.865 13.103 12.431 11.834 11.305 10.410 10.253 10.104 9.960 9.822 9.690 9.563 9.441 9.323 9.210 9.100 8.995 8.892 8.793 8.696 8.602 8.510 8.421 8.333 8.248 8.164 28.606 27.228 25.116 23.028 21.135 19.468 18.013 16.749 15.650 14.693 13.859 13.129 12.487 11.922 11.423 10.587 10.442 10.304 10.171 10.045 9.924 9.808 9.697 9.590 9.487 9.388 9.293 9.201 9.113 9.027 8.943 8.862 8.784 8.707 8.632 8.558 27.632 26.588 24.642 22.658 20.840 19.229 17.821 16.597 15.534 14.610 13.807 13.107 12.495 11.960 11.489 10.709 10.575 10.448 10.326 10.210 10.099 9.993 9.892 9.796 9.703 9.615 9.529 9.448 9.369 9.293 9.219 9.148 9.079 9.012 8.947 8.883 99999.999 25.893 24.118 22.242 20.500 18.949 17.589 16.406 15.379 14.488 13.715 13.045 12.462 11.954 11.511 10.784 10.660 10.543 10.431 10.325 10.224 10.128 10.037 9.950 9.867 9.788 9.712 9.639 9.570 9.503 9.438 9.376 9.317 9.259 9.202 9.148 magnesioferrite MgFe2O4 P-T:All Wt.(g/mol) = 200.000 V(cc/mol) = 44.570 D(g/cc) = 4.487 Ref: H&P2011 6 -5.750 1 -0.250 6 1.000 10 2.000 11 0.250 4 3.000 2 40.966 36.353 32.433 29.076 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.966 36.353 32.433 29.076 26.168 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.967 36.354 32.434 29.077 26.169 23.618 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.970 36.357 32.436 29.079 26.171 23.621 21.355 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.975 36.361 32.441 29.083 26.175 23.625 21.359 19.320 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.982 36.368 32.447 29.089 26.181 23.631 21.365 19.327 17.470 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.993 36.378 32.457 29.099 26.190 23.640 21.375 19.337 17.481 15.763 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.009 36.393 32.470 29.112 26.203 23.653 21.388 19.351 17.496 15.781 14.161 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.031 36.413 32.489 29.130 26.221 23.671 21.407 19.371 17.518 15.805 14.190 12.632 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.061 36.440 32.514 29.154 26.245 23.695 21.431 19.397 17.546 15.837 14.229 12.680 11.163 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.098 36.474 32.547 29.185 26.275 23.726 21.463 19.431 17.583 15.879 14.278 12.743 11.241 9.786 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.146 36.518 32.588 29.225 26.314 23.765 21.504 19.474 17.629 15.931 14.340 12.821 11.341 9.884 8.601 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.182 36.551 32.619 29.255 26.344 23.795 21.534 19.506 17.665 15.970 14.387 12.879 11.417 9.973 8.514 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.233 36.598 32.664 29.298 26.386 23.837 21.578 19.552 17.714 16.026 14.452 12.961 11.524 10.107 8.601 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.283 36.645 32.708 29.340 26.428 23.878 21.620 19.597 17.762 16.079 14.515 13.039 11.626 10.242 8.762 14.449 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.332 36.690 32.751 29.382 26.468 23.919 21.662 19.641 17.809 16.132 14.576 13.114 11.724 10.373 8.945 10.213 11.878 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.380 36.734 32.793 29.422 26.508 23.959 21.703 19.684 17.855 16.182 14.634 13.186 11.816 10.497 9.128 9.210 9.702 10.690 12.136 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.426 36.778 32.834 29.462 26.547 23.998 21.743 19.725 17.900 16.232 14.691 13.254 11.903 10.614 9.303 8.787 8.905 9.255 9.897 10.796 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.472 36.820 32.874 29.501 26.585 24.036 21.782 19.766 17.944 16.280 14.746 13.320 11.985 10.723 9.466 8.570 8.520 8.600 8.846 9.280 9.872 10.514 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.516 36.862 32.914 29.539 26.623 24.074 21.821 19.807 17.987 16.327 14.798 13.382 12.062 10.823 9.614 8.453 8.310 8.252 8.297 8.465 8.761 9.161 9.607 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.560 36.903 32.953 29.577 26.660 24.111 21.858 19.846 18.029 16.372 14.849 13.441 12.134 10.915 9.746 8.390 8.191 8.051 7.982 7.997 8.105 8.304 8.577 8.889 9.196 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.602 36.944 32.992 29.614 26.696 24.147 21.895 19.885 18.070 16.417 14.899 13.498 12.201 10.998 9.863 8.360 8.124 7.932 7.793 7.714 7.703 7.763 7.891 8.076 8.295 8.521 8.730 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.644 36.983 33.029 29.650 26.732 24.183 21.932 19.922 18.110 16.460 14.947 13.552 12.264 11.074 9.965 8.352 8.090 7.864 7.677 7.537 7.447 7.414 7.437 7.513 7.634 7.785 7.951 8.116 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.685 37.022 33.066 29.686 26.767 24.218 21.967 19.959 18.149 16.502 14.993 13.604 12.323 11.143 10.053 8.359 8.079 7.827 7.608 7.425 7.282 7.184 7.131 7.124 7.161 7.235 7.336 7.456 7.585 7.717 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.724 37.060 33.103 29.722 26.801 24.252 22.002 19.996 18.188 16.544 15.038 13.654 12.379 11.206 10.128 8.376 8.082 7.812 7.569 7.356 7.176 7.031 6.924 6.855 6.826 6.832 6.870 6.934 7.019 7.118 7.228 99999.999 99999.999 99999.999 99999.999 99999.999 41.764 37.097 33.139 29.756 26.835 24.286 22.037 20.032 18.226 16.584 15.082 13.701 12.431 11.263 10.193 8.401 8.096 7.812 7.552 7.317 7.109 6.930 6.783 6.668 6.587 6.539 6.522 6.533 6.569 6.626 6.700 6.790 6.896 99999.999 99999.999 99999.999 41.802 37.134 33.174 29.790 26.869 24.319 22.071 20.067 18.263 16.624 15.125 13.748 12.480 11.316 10.250 8.431 8.118 7.824 7.550 7.298 7.070 6.866 6.688 6.539 6.418 6.326 6.263 6.228 6.218 6.232 6.267 6.321 6.394 6.484 99999.999 99999.999 41.839 37.170 33.209 29.824 26.902 24.352 22.104 20.101 18.299 16.663 15.166 13.792 12.528 11.366 10.301 8.464 8.145 7.843 7.560 7.295 7.050 6.827 6.627 6.451 6.299 6.173 6.073 5.998 5.948 5.922 5.918 5.936 5.973 6.030 6.105 6.201 41.876 37.206 33.243 29.857 26.934 24.385 22.137 20.135 18.335 16.701 15.207 13.836 12.574 11.413 10.349 8.501 8.177 7.869 7.577 7.302 7.046 6.808 6.590 6.392 6.217 6.064 5.933 5.826 5.742 5.681 5.642 5.624 5.627 5.649 5.692 5.754 42.203 37.530 33.558 30.163 27.235 24.683 22.439 20.446 18.659 17.045 15.575 14.228 12.990 11.848 10.795 8.923 8.582 8.253 7.933 7.624 7.324 7.033 6.752 6.481 6.218 5.965 5.721 5.486 5.261 5.045 4.839 4.643 4.456 4.280 4.113 3.957 42.472 37.808 33.831 30.431 27.498 24.945 22.702 20.714 18.938 17.338 15.885 14.558 13.341 12.219 11.183 9.334 8.996 8.667 8.347 8.036 7.733 7.438 7.150 6.870 6.597 6.330 6.070 5.816 5.568 5.326 5.089 4.858 4.632 4.412 4.197 3.986 42.694 38.049 34.073 30.669 27.733 25.178 22.936 20.952 19.182 17.592 16.153 14.843 13.642 12.539 11.520 9.701 9.368 9.045 8.729 8.423 8.124 7.832 7.547 7.270 6.998 6.733 6.473 6.219 5.970 5.726 5.487 5.252 5.021 4.794 4.570 4.351 42.879 38.260 34.288 30.883 27.945 25.388 23.146 21.165 19.400 17.818 16.390 15.092 13.906 12.818 11.814 10.026 9.699 9.381 9.071 8.770 8.476 8.190 7.910 7.638 7.371 7.110 6.855 6.606 6.361 6.121 5.885 5.653 5.426 5.201 4.981 4.763 43.035 38.448 34.483 31.078 28.138 25.581 23.338 21.358 19.598 18.021 16.601 15.313 14.139 13.064 12.075 10.314 9.992 9.679 9.375 9.079 8.791 8.510 8.236 7.968 7.707 7.452 7.202 6.958 6.718 6.483 6.253 6.026 5.804 5.585 5.369 5.157 43.167 38.616 34.660 31.257 28.316 25.758 23.516 21.537 19.778 18.206 16.792 15.513 14.349 13.284 12.307 10.570 10.254 9.946 9.647 9.356 9.072 8.796 8.527 8.265 8.009 7.759 7.514 7.275 7.040 6.811 6.585 6.364 6.147 5.933 5.723 5.516 43.279 38.769 34.823 31.422 28.482 25.923 23.680 21.702 19.945 18.376 16.967 15.694 14.538 13.483 12.515 10.801 10.489 10.185 9.890 9.604 9.325 9.054 8.789 8.531 8.280 8.034 7.794 7.560 7.330 7.105 6.885 6.668 6.456 6.247 6.042 5.840 99999.999 38.910 34.974 31.576 28.636 26.077 23.834 21.856 20.101 18.535 17.129 15.861 14.711 13.664 12.705 11.009 10.701 10.401 10.111 9.828 9.553 9.286 9.025 8.771 8.524 8.282 8.047 7.816 7.591 7.370 7.154 6.942 6.734 6.529 6.329 6.131 magnesioferrite MgFe2O4 P-T:All Wt.(g/mol) = 200.000 V(cc/mol) = 44.570 D(g/cc) = 4.487 Ref: H&P2011 5 -6.000 1 1.000 10 2.000 11 0.500 31 3.000 2 2.941 1.774 0.823 0.047 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.941 1.774 0.823 0.047 -0.594 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.942 1.775 0.824 0.048 -0.593 -1.136 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.944 1.777 0.826 0.050 -0.592 -1.134 -1.606 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.948 1.780 0.828 0.053 -0.589 -1.132 -1.603 -2.024 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.953 1.785 0.833 0.057 -0.585 -1.127 -1.598 -2.019 -2.408 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.961 1.792 0.840 0.064 -0.578 -1.121 -1.591 -2.011 -2.399 -2.773 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.973 1.802 0.850 0.073 -0.569 -1.111 -1.581 -2.001 -2.388 -2.759 -3.138 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.989 1.816 0.863 0.086 -0.556 -1.098 -1.567 -1.986 -2.371 -2.741 -3.115 -3.516 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.009 1.835 0.881 0.103 -0.539 -1.081 -1.549 -1.967 -2.350 -2.716 -3.086 -3.478 -3.900 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.036 1.860 0.903 0.125 -0.518 -1.059 -1.526 -1.942 -2.322 -2.685 -3.047 -3.430 -3.842 -4.235 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.070 1.890 0.932 0.153 -0.490 -1.031 -1.497 -1.910 -2.287 -2.645 -2.999 -3.369 -3.765 -4.176 -4.366 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.096 1.913 0.954 0.174 -0.469 -1.010 -1.475 -1.886 -2.261 -2.615 -2.963 -3.323 -3.705 -4.113 -4.520 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.132 1.946 0.985 0.204 -0.440 -0.980 -1.443 -1.852 -2.224 -2.573 -2.913 -3.258 -3.621 -4.012 -4.501 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.166 1.978 1.015 0.233 -0.411 -0.950 -1.413 -1.820 -2.188 -2.532 -2.864 -3.197 -3.540 -3.907 -4.391 3.780 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.200 2.009 1.044 0.261 -0.383 -0.922 -1.383 -1.788 -2.153 -2.493 -2.817 -3.138 -3.462 -3.803 -4.252 -0.992 1.253 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.232 2.039 1.073 0.289 -0.356 -0.894 -1.354 -1.757 -2.119 -2.454 -2.772 -3.082 -3.388 -3.703 -4.106 -2.152 -1.226 0.258 2.295 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.264 2.068 1.101 0.316 -0.329 -0.867 -1.326 -1.727 -2.086 -2.417 -2.729 -3.028 -3.319 -3.609 -3.963 -2.665 -2.160 -1.399 -0.308 1.093 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.294 2.097 1.128 0.342 -0.303 -0.840 -1.298 -1.697 -2.054 -2.382 -2.687 -2.977 -3.254 -3.522 -3.831 -2.945 -2.632 -2.177 -1.539 -0.688 0.352 1.473 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.324 2.124 1.154 0.368 -0.277 -0.814 -1.271 -1.668 -2.023 -2.347 -2.647 -2.929 -3.193 -3.441 -3.710 -3.114 -2.905 -2.609 -2.200 -1.656 -0.968 -0.156 0.721 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.352 2.152 1.180 0.393 -0.252 -0.789 -1.245 -1.640 -1.993 -2.313 -2.609 -2.883 -3.137 -3.369 -3.602 -3.219 -3.076 -2.873 -2.595 -2.228 -1.759 -1.188 -0.529 0.180 0.892 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.380 2.178 1.205 0.418 -0.228 -0.764 -1.219 -1.613 -1.963 -2.280 -2.572 -2.840 -3.084 -3.303 -3.508 -3.284 -3.185 -3.043 -2.847 -2.589 -2.258 -1.850 -1.366 -0.818 -0.229 0.373 0.960 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.407 2.203 1.230 0.442 -0.204 -0.740 -1.194 -1.586 -1.934 -2.248 -2.536 -2.799 -3.036 -3.244 -3.428 -3.324 -3.256 -3.155 -3.014 -2.827 -2.588 -2.290 -1.931 -1.515 -1.048 -0.548 -0.030 0.488 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.433 2.228 1.254 0.465 -0.180 -0.716 -1.169 -1.560 -1.906 -2.217 -2.501 -2.760 -2.991 -3.191 -3.359 -3.346 -3.301 -3.229 -3.127 -2.990 -2.813 -2.592 -2.322 -2.005 -1.641 -1.237 -0.804 -0.352 0.109 0.569 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.458 2.253 1.278 0.488 -0.157 -0.693 -1.145 -1.535 -1.878 -2.187 -2.468 -2.722 -2.949 -3.143 -3.302 -3.356 -3.327 -3.277 -3.204 -3.103 -2.970 -2.803 -2.599 -2.355 -2.071 -1.749 -1.395 -1.014 -0.614 -0.201 0.220 99999.999 99999.999 99999.999 99999.999 99999.999 3.482 2.277 1.301 0.511 -0.135 -0.670 -1.121 -1.510 -1.851 -2.157 -2.435 -2.687 -2.910 -3.101 -3.254 -3.356 -3.340 -3.307 -3.255 -3.180 -3.081 -2.954 -2.797 -2.608 -2.386 -2.130 -1.844 -1.529 -1.190 -0.831 -0.458 -0.072 0.324 99999.999 99999.999 99999.999 3.506 2.300 1.323 0.533 -0.113 -0.648 -1.098 -1.485 -1.825 -2.129 -2.404 -2.652 -2.873 -3.062 -3.213 -3.348 -3.343 -3.323 -3.287 -3.233 -3.159 -3.062 -2.942 -2.794 -2.619 -2.416 -2.184 -1.926 -1.643 -1.339 -1.015 -0.675 -0.320 0.048 99999.999 99999.999 3.529 2.322 1.345 0.555 -0.091 -0.626 -1.076 -1.461 -1.799 -2.101 -2.373 -2.619 -2.838 -3.026 -3.177 -3.336 -3.339 -3.329 -3.306 -3.268 -3.213 -3.140 -3.046 -2.931 -2.793 -2.631 -2.445 -2.234 -1.999 -1.743 -1.467 -1.172 -0.861 -0.534 -0.192 0.164 3.551 2.344 1.367 0.576 -0.070 -0.605 -1.054 -1.438 -1.774 -2.073 -2.343 -2.587 -2.805 -2.992 -3.145 -3.320 -3.329 -3.327 -3.314 -3.289 -3.249 -3.194 -3.123 -3.033 -2.924 -2.794 -2.644 -2.472 -2.279 -2.065 -1.831 -1.579 -1.309 -1.023 -0.721 -0.403 3.734 2.536 1.558 0.765 0.119 -0.413 -0.855 -1.229 -1.549 -1.830 -2.079 -2.301 -2.500 -2.676 -2.828 -3.059 -3.094 -3.125 -3.151 -3.174 -3.192 -3.206 -3.216 -3.222 -3.222 -3.218 -3.209 -3.194 -3.173 -3.147 -3.115 -3.076 -3.031 -2.979 -2.920 -2.854 3.862 2.684 1.712 0.921 0.276 -0.253 -0.690 -1.055 -1.365 -1.630 -1.862 -2.066 -2.247 -2.406 -2.546 -2.770 -2.807 -2.841 -2.873 -2.902 -2.929 -2.954 -2.978 -2.999 -3.018 -3.035 -3.051 -3.065 -3.077 -3.088 -3.097 -3.104 -3.109 -3.113 -3.115 -3.116 3.945 2.800 1.837 1.050 0.408 -0.117 -0.550 -0.909 -1.209 -1.463 -1.681 -1.869 -2.034 -2.178 -2.303 -2.505 -2.539 -2.570 -2.600 -2.628 -2.654 -2.679 -2.702 -2.725 -2.746 -2.766 -2.785 -2.804 -2.822 -2.839 -2.856 -2.873 -2.889 -2.905 -2.921 -2.937 3.994 2.888 1.940 1.159 0.521 -0.001 -0.430 -0.783 -1.076 -1.321 -1.527 -1.702 -1.853 -1.982 -2.093 -2.271 -2.300 -2.327 -2.353 -2.377 -2.400 -2.421 -2.441 -2.461 -2.479 -2.497 -2.514 -2.531 -2.548 -2.564 -2.580 -2.596 -2.612 -2.629 -2.646 -2.663 4.014 2.955 2.023 1.251 0.618 0.100 -0.325 -0.674 -0.960 -1.198 -1.394 -1.559 -1.697 -1.814 -1.912 -2.065 -2.089 -2.112 -2.133 -2.153 -2.171 -2.189 -2.205 -2.220 -2.235 -2.249 -2.263 -2.276 -2.289 -2.301 -2.314 -2.327 -2.340 -2.353 -2.367 -2.381 4.012 3.004 2.092 1.329 0.701 0.188 -0.233 -0.577 -0.859 -1.090 -1.279 -1.434 -1.562 -1.667 -1.754 -1.883 -1.903 -1.922 -1.939 -1.954 -1.969 -1.982 -1.994 -2.005 -2.016 -2.026 -2.035 -2.044 -2.053 -2.061 -2.070 -2.079 -2.088 -2.097 -2.107 -2.117 3.991 3.040 2.148 1.395 0.774 0.265 -0.152 -0.492 -0.769 -0.994 -1.176 -1.324 -1.443 -1.539 -1.615 -1.724 -1.740 -1.754 -1.767 -1.778 -1.789 -1.798 -1.806 -1.813 -1.820 -1.826 -1.831 -1.836 -1.841 -1.846 -1.850 -1.855 -1.860 -1.865 -1.871 -1.877 99999.999 3.063 2.193 1.451 0.837 0.333 -0.079 -0.415 -0.688 -0.908 -1.085 -1.226 -1.338 -1.425 -1.493 -1.582 -1.595 -1.605 -1.614 -1.622 -1.628 -1.634 -1.638 -1.642 -1.645 -1.647 -1.649 -1.650 -1.651 -1.653 -1.653 -1.654 -1.656 -1.657 -1.659 -1.661 majorite Mg4Si4O12 P-T:All Wt.(g/mol) = 401.550 V(cc/mol) = 114.570 D(g/cc) = 3.505 Ref: H&P2011 4 4.000 10 4.000 7 -4.000 2 -8.000 1 79.096 71.153 64.256 58.319 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.096 71.153 64.256 58.319 53.185 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.098 71.155 64.258 58.321 53.187 48.709 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.100 71.158 64.261 58.324 53.190 48.713 44.767 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.104 71.162 64.266 58.330 53.196 48.719 44.774 41.260 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.109 71.170 64.274 58.338 53.205 48.728 44.784 41.271 38.106 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.118 71.181 64.287 58.351 53.218 48.742 44.799 41.288 38.124 35.235 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.130 71.197 64.304 58.369 53.237 48.762 44.821 41.311 38.150 35.264 32.579 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.146 71.218 64.327 58.394 53.263 48.789 44.850 41.343 38.186 35.305 32.627 30.083 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.166 71.245 64.357 58.426 53.297 48.825 44.888 41.385 38.232 35.358 32.690 30.161 27.721 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.191 71.279 64.395 58.466 53.339 48.871 44.937 41.438 38.291 35.425 32.771 30.262 27.845 25.528 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.219 71.321 64.442 58.516 53.392 48.927 44.998 41.505 38.365 35.510 32.871 30.388 28.004 25.689 23.643 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.239 71.351 64.477 58.553 53.432 48.969 45.044 41.555 38.421 35.573 32.947 30.482 28.125 25.831 23.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.264 71.391 64.523 58.604 53.487 49.028 45.107 41.624 38.498 35.661 33.051 30.612 28.293 26.041 23.696 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.284 71.428 64.567 58.652 53.538 49.083 45.167 41.690 38.572 35.745 33.151 30.736 28.454 26.250 23.947 31.394 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.301 71.461 64.608 58.697 53.587 49.136 45.225 41.754 38.643 35.826 33.246 30.854 28.606 26.452 24.224 25.495 27.738 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.313 71.491 64.645 58.740 53.633 49.186 45.280 41.815 38.711 35.903 33.337 30.965 28.749 26.643 24.500 24.144 24.744 26.043 28.007 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.322 71.518 64.680 58.779 53.677 49.234 45.332 41.873 38.776 35.977 33.424 31.071 28.884 26.822 24.763 23.596 23.678 24.085 24.905 26.098 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.327 71.541 64.712 58.816 53.718 49.279 45.382 41.928 38.838 36.048 33.507 31.172 29.011 26.989 25.008 23.331 23.182 23.216 23.485 24.019 24.782 25.630 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.329 71.562 64.741 58.851 53.757 49.322 45.430 41.982 38.898 36.116 33.586 31.267 29.129 27.142 25.230 23.199 22.926 22.771 22.762 22.926 23.272 23.771 24.342 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.327 71.580 64.768 58.883 53.793 49.363 45.475 42.032 38.956 36.182 33.661 31.357 29.239 27.283 25.429 23.140 22.792 22.527 22.363 22.317 22.402 22.617 22.942 23.327 23.712 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.322 71.595 64.792 58.913 53.828 49.402 45.518 42.081 39.010 36.244 33.733 31.442 29.342 27.410 25.606 23.125 22.728 22.394 22.134 21.960 21.882 21.906 22.028 22.232 22.489 22.762 23.019 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.314 71.607 64.813 58.940 53.860 49.438 45.560 42.127 39.063 36.304 33.802 31.522 29.437 27.527 25.761 23.139 22.707 22.327 22.004 21.748 21.564 21.459 21.436 21.489 21.608 21.774 21.964 22.159 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.302 71.616 64.833 58.966 53.890 49.472 45.599 42.172 39.113 36.361 33.868 31.598 29.525 27.632 25.896 23.170 22.715 22.302 21.937 21.624 21.368 21.176 21.049 20.989 20.992 21.048 21.148 21.276 21.421 21.574 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.287 71.623 64.850 58.989 53.917 49.505 45.635 42.214 39.161 36.416 33.931 31.670 29.608 27.728 26.012 23.214 22.742 22.306 21.910 21.557 21.252 20.997 20.797 20.653 20.564 20.528 20.539 20.590 20.671 20.776 20.900 99999.999 99999.999 99999.999 99999.999 99999.999 79.270 71.628 64.864 59.010 53.943 49.535 45.671 42.254 39.207 36.469 33.991 31.738 29.685 27.815 26.114 23.267 22.782 22.329 21.910 21.529 21.187 20.888 20.634 20.428 20.270 20.159 20.094 20.071 20.085 20.131 20.204 20.302 20.424 99999.999 99999.999 99999.999 79.249 71.629 64.877 59.029 53.967 49.564 45.704 42.292 39.252 36.520 34.049 31.803 29.758 27.895 26.202 23.326 22.831 22.365 21.930 21.528 21.159 20.827 20.534 20.281 20.069 19.900 19.773 19.686 19.638 19.624 19.642 19.689 19.765 19.868 99999.999 99999.999 79.226 71.629 64.887 59.046 53.989 49.590 45.735 42.329 39.294 36.568 34.104 31.865 29.827 27.970 26.282 23.388 22.886 22.411 21.964 21.545 21.157 20.800 20.476 20.188 19.936 19.721 19.544 19.404 19.301 19.233 19.198 19.194 19.220 19.276 19.361 19.475 79.200 71.626 64.895 59.061 54.010 49.615 45.765 42.363 39.334 36.614 34.157 31.925 29.892 28.040 26.356 23.453 22.946 22.464 22.007 21.576 21.172 20.797 20.451 20.135 19.852 19.601 19.384 19.201 19.052 18.936 18.853 18.801 18.780 18.788 18.826 18.894 78.803 71.484 64.875 59.116 54.122 49.776 45.973 42.620 39.644 36.982 34.584 32.414 30.441 28.642 26.999 24.121 23.604 23.104 22.621 22.155 21.705 21.271 20.852 20.447 20.058 19.684 19.324 18.978 18.647 18.331 18.030 17.744 17.473 17.217 16.977 16.752 78.196 71.164 64.695 59.024 54.095 49.803 46.048 42.744 39.816 37.205 34.862 32.747 30.828 29.082 27.488 24.691 24.186 23.697 23.224 22.766 22.321 21.890 21.472 21.066 20.672 20.289 19.917 19.556 19.204 18.862 18.530 18.206 17.892 17.586 17.288 16.999 77.422 70.702 64.388 58.815 53.956 49.722 46.018 42.761 39.881 37.318 35.024 32.959 31.091 29.394 27.847 25.138 24.649 24.176 23.718 23.274 22.844 22.426 22.021 21.627 21.244 20.872 20.509 20.156 19.811 19.475 19.147 18.826 18.513 18.206 17.906 17.612 76.513 70.124 63.977 58.509 53.727 49.554 45.903 42.694 39.859 37.342 35.094 33.075 31.253 29.603 28.101 25.477 25.004 24.547 24.105 23.677 23.262 22.860 22.469 22.090 21.722 21.363 21.015 20.675 20.343 20.020 19.704 19.395 19.093 18.798 18.508 18.224 75.491 69.449 63.478 58.122 53.422 49.313 45.717 42.556 39.767 37.294 35.089 33.113 31.335 29.728 28.268 25.725 25.268 24.827 24.400 23.987 23.587 23.200 22.824 22.460 22.106 21.762 21.427 21.101 20.784 20.475 20.173 19.878 19.590 19.307 19.031 18.760 74.377 68.693 62.905 57.667 53.052 49.011 45.470 42.360 39.616 37.185 35.022 33.087 31.350 29.783 28.364 25.897 25.455 25.029 24.616 24.218 23.832 23.459 23.097 22.746 22.406 22.076 21.755 21.443 21.140 20.844 20.555 20.274 19.999 19.731 19.468 19.210 73.182 67.868 62.269 57.153 52.627 48.655 45.173 42.112 39.414 37.025 34.902 33.007 31.309 29.780 28.398 26.004 25.576 25.164 24.765 24.380 24.008 23.648 23.299 22.962 22.635 22.318 22.010 21.710 21.420 21.137 20.861 20.592 20.330 20.074 19.824 19.579 99999.999 66.983 61.579 56.588 52.153 48.253 44.830 41.821 39.169 36.822 34.738 32.881 31.220 29.727 28.381 26.056 25.641 25.242 24.856 24.484 24.124 23.777 23.441 23.116 22.801 22.496 22.200 21.913 21.634 21.362 21.099 20.841 20.591 20.346 20.108 19.874 manganosite MnO P-T:All Wt.(g/mol) = 70.940 V(cc/mol) = 13.220 D(g/cc) = 5.366 Ref: H&P2011 3 1.000 14 1.000 2 -2.000 1 20.258 18.307 16.661 15.258 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.258 18.307 16.661 15.258 14.048 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.258 18.307 16.662 15.259 14.048 12.992 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.259 18.308 16.662 15.259 14.049 12.993 12.060 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.260 18.309 16.663 15.260 14.050 12.993 12.061 11.228 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.261 18.310 16.664 15.261 14.051 12.995 12.062 11.229 10.478 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.264 18.312 16.666 15.263 14.053 12.997 12.064 11.232 10.480 9.793 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.267 18.316 16.669 15.266 14.056 13.000 12.067 11.235 10.484 9.798 9.160 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.272 18.320 16.673 15.270 14.060 13.004 12.072 11.240 10.489 9.804 9.167 8.565 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.278 18.325 16.679 15.275 14.065 13.009 12.077 11.246 10.496 9.812 9.177 8.578 8.004 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.286 18.333 16.686 15.282 14.072 13.016 12.085 11.254 10.505 9.822 9.189 8.594 8.025 7.485 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.296 18.342 16.694 15.290 14.080 13.025 12.094 11.264 10.516 9.835 9.205 8.614 8.051 7.510 7.042 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.303 18.349 16.701 15.297 14.087 13.031 12.101 11.271 10.524 9.844 9.217 8.630 8.071 7.533 7.009 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.313 18.358 16.710 15.306 14.096 13.040 12.110 11.282 10.536 9.858 9.233 8.651 8.100 7.569 7.027 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.324 18.368 16.719 15.315 14.104 13.049 12.120 11.292 10.548 9.871 9.249 8.671 8.127 7.605 7.070 8.688 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.333 18.377 16.728 15.323 14.113 13.058 12.129 11.302 10.559 9.884 9.264 8.691 8.153 7.641 7.119 7.367 7.862 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.343 18.386 16.737 15.332 14.121 13.067 12.138 11.312 10.569 9.896 9.279 8.709 8.177 7.675 7.170 7.049 7.179 7.465 7.897 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.352 18.395 16.745 15.340 14.130 13.075 12.147 11.321 10.580 9.908 9.293 8.727 8.200 7.706 7.218 6.912 6.925 7.012 7.192 7.454 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.361 18.403 16.753 15.348 14.137 13.083 12.156 11.331 10.590 9.919 9.307 8.743 8.222 7.735 7.263 6.839 6.800 6.802 6.858 6.974 7.140 7.325 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.369 18.411 16.761 15.356 14.145 13.091 12.164 11.340 10.600 9.930 9.320 8.759 8.242 7.762 7.304 6.797 6.729 6.688 6.681 6.713 6.786 6.894 7.018 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.377 18.419 16.769 15.363 14.153 13.099 12.172 11.348 10.610 9.941 9.332 8.774 8.261 7.787 7.340 6.773 6.687 6.620 6.577 6.561 6.576 6.620 6.688 6.770 6.852 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.385 18.427 16.776 15.371 14.160 13.107 12.180 11.357 10.619 9.952 9.344 8.788 8.278 7.808 7.371 6.759 6.661 6.578 6.513 6.467 6.444 6.445 6.467 6.509 6.562 6.619 6.671 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.393 18.435 16.784 15.378 14.168 13.114 12.188 11.365 10.628 9.962 9.356 8.801 8.294 7.828 7.398 6.752 6.646 6.552 6.472 6.407 6.359 6.330 6.319 6.326 6.348 6.381 6.419 6.457 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.400 18.442 16.791 15.385 14.175 13.121 12.196 11.373 10.637 9.972 9.367 8.814 8.309 7.846 7.422 6.750 6.638 6.536 6.445 6.367 6.302 6.252 6.218 6.199 6.194 6.202 6.219 6.243 6.270 6.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.408 18.449 16.798 15.392 14.182 13.129 12.203 11.381 10.646 9.981 9.377 8.826 8.322 7.862 7.441 6.751 6.635 6.527 6.429 6.341 6.264 6.200 6.148 6.109 6.083 6.070 6.067 6.073 6.086 6.104 6.126 99999.999 99999.999 99999.999 99999.999 99999.999 20.414 18.456 16.805 15.399 14.188 13.135 12.210 11.389 10.654 9.991 9.388 8.838 8.335 7.876 7.458 6.755 6.635 6.523 6.419 6.324 6.239 6.163 6.099 6.045 6.003 5.972 5.952 5.941 5.938 5.943 5.953 5.969 5.989 99999.999 99999.999 99999.999 20.421 18.463 16.811 15.405 14.195 13.142 12.217 11.397 10.662 10.000 9.398 8.849 8.347 7.889 7.472 6.760 6.638 6.522 6.414 6.314 6.222 6.138 6.064 6.000 5.945 5.900 5.865 5.840 5.822 5.813 5.811 5.816 5.826 5.842 99999.999 99999.999 20.428 18.469 16.818 15.412 14.202 13.149 12.224 11.404 10.670 10.009 9.408 8.860 8.359 7.901 7.484 6.767 6.642 6.524 6.413 6.308 6.211 6.122 6.040 5.967 5.903 5.847 5.800 5.762 5.732 5.711 5.696 5.689 5.688 5.694 5.705 5.723 20.434 18.476 16.824 15.418 14.208 13.155 12.231 11.411 10.678 10.017 9.417 8.870 8.370 7.913 7.496 6.775 6.649 6.528 6.414 6.307 6.205 6.111 6.024 5.944 5.872 5.808 5.751 5.703 5.662 5.630 5.604 5.586 5.574 5.569 5.570 5.578 20.485 18.531 16.880 15.474 14.265 13.214 12.292 11.476 10.748 10.094 9.501 8.962 8.469 8.018 7.603 6.873 6.741 6.613 6.490 6.370 6.255 6.144 6.036 5.932 5.832 5.735 5.642 5.553 5.467 5.384 5.306 5.231 5.159 5.092 5.028 4.967 20.518 18.573 16.925 15.520 14.311 13.261 12.342 11.529 10.805 10.156 9.570 9.037 8.551 8.105 7.696 6.972 6.840 6.713 6.589 6.469 6.352 6.239 6.128 6.021 5.917 5.816 5.717 5.621 5.527 5.436 5.348 5.261 5.177 5.095 5.015 4.937 20.539 18.604 16.960 15.557 14.350 13.302 12.384 11.573 10.853 10.208 9.626 9.099 8.618 8.179 7.775 7.060 6.930 6.804 6.681 6.562 6.446 6.334 6.224 6.118 6.014 5.913 5.814 5.717 5.623 5.531 5.441 5.353 5.267 5.183 5.100 5.019 20.548 18.628 16.989 15.588 14.382 13.336 12.419 11.611 10.893 10.251 9.674 9.151 8.675 8.241 7.842 7.136 7.008 6.884 6.763 6.645 6.531 6.420 6.312 6.207 6.105 6.005 5.907 5.812 5.719 5.628 5.539 5.452 5.366 5.283 5.200 5.120 20.549 18.644 17.011 15.614 14.410 13.365 12.450 11.643 10.928 10.289 9.714 9.195 8.724 8.294 7.900 7.203 7.076 6.954 6.834 6.719 6.606 6.497 6.390 6.287 6.186 6.088 5.992 5.898 5.806 5.717 5.629 5.544 5.460 5.378 5.297 5.217 20.543 18.655 17.029 15.635 14.433 13.390 12.476 11.672 10.958 10.321 9.749 9.234 8.766 8.340 7.949 7.261 7.136 7.015 6.897 6.783 6.672 6.564 6.459 6.357 6.258 6.161 6.067 5.975 5.885 5.797 5.711 5.627 5.544 5.464 5.385 5.307 20.532 18.662 17.043 15.652 14.453 13.411 12.499 11.696 10.984 10.349 9.780 9.267 8.802 8.379 7.993 7.311 7.188 7.068 6.952 6.839 6.730 6.624 6.520 6.420 6.322 6.226 6.133 6.043 5.954 5.868 5.783 5.701 5.620 5.541 5.463 5.387 99999.999 18.666 17.053 15.667 14.470 13.430 12.520 11.718 11.008 10.375 9.807 9.296 8.834 8.414 8.031 7.356 7.234 7.115 7.001 6.889 6.781 6.676 6.574 6.475 6.378 6.284 6.192 6.103 6.016 5.931 5.847 5.766 5.687 5.609 5.532 5.458 margarite CaAl4Si2O12H2 P-T:All Wt.(g/mol) = 398.190 V(cc/mol) = 129.640 D(g/cc) = 3.072 Ref: H&P2011 5 1.000 9 4.000 8 2.000 7 4.000 2 -14.000 1 42.241 34.600 27.968 22.222 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.241 34.600 27.968 22.222 17.196 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.244 34.603 27.972 22.225 17.199 12.748 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.250 34.610 27.978 22.232 17.206 12.755 8.758 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.261 34.621 27.989 22.243 17.217 12.766 8.769 5.128 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.278 34.638 28.007 22.260 17.234 12.784 8.788 5.147 1.784 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.303 34.665 28.033 22.286 17.260 12.811 8.815 5.177 1.815 -1.345 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.339 34.702 28.070 22.323 17.297 12.849 8.855 5.219 1.861 -1.294 -4.330 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.388 34.753 28.121 22.374 17.348 12.900 8.909 5.276 1.923 -1.225 -4.249 -7.226 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.452 34.820 28.188 22.441 17.416 12.969 8.980 5.352 2.005 -1.134 -4.142 -7.096 -10.020 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.535 34.907 28.275 22.527 17.503 13.058 9.072 5.449 2.111 -1.016 -4.005 -6.928 -9.824 -12.547 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.638 35.016 28.385 22.637 17.613 13.170 9.189 5.573 2.244 -0.868 -3.832 -6.716 -9.566 -12.351 -14.311 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.716 35.100 28.469 22.720 17.697 13.255 9.278 5.667 2.345 -0.755 -3.701 -6.555 -9.366 -12.145 -14.793 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.825 35.216 28.586 22.838 17.815 13.376 9.403 5.799 2.487 -0.598 -3.518 -6.331 -9.083 -11.816 -14.730 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.930 35.329 28.701 22.952 17.930 13.493 9.524 5.927 2.626 -0.445 -3.342 -6.116 -8.809 -11.473 -14.384 8.952 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.030 35.439 28.812 23.064 18.042 13.607 9.643 6.053 2.760 -0.297 -3.171 -5.909 -8.546 -11.133 -13.944 -6.486 0.238 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.128 35.545 28.920 23.172 18.151 13.719 9.759 6.175 2.891 -0.153 -3.007 -5.711 -8.296 -10.805 -13.481 -10.132 -7.700 -3.422 2.815 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.221 35.649 29.026 23.279 18.258 13.828 9.872 6.294 3.019 -0.013 -2.848 -5.521 -8.059 -10.495 -13.029 -11.724 -10.636 -8.713 -5.688 -1.570 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.311 35.749 29.129 23.382 18.363 13.935 9.982 6.410 3.143 0.123 -2.695 -5.341 -7.836 -10.205 -12.604 -12.581 -12.100 -11.158 -9.611 -7.348 -4.412 -1.107 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.398 35.847 29.229 23.483 18.465 14.039 10.090 6.523 3.264 0.255 -2.547 -5.168 -7.626 -9.937 -12.216 -13.085 -12.938 -12.499 -11.691 -10.433 -8.682 -6.483 -4.006 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.481 35.942 29.327 23.582 18.565 14.140 10.195 6.634 3.382 0.383 -2.403 -5.004 -7.430 -9.692 -11.867 -13.391 -13.449 -13.307 -12.917 -12.228 -11.198 -9.812 -8.110 -6.194 -4.206 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.561 36.034 29.422 23.678 18.662 14.240 10.298 6.742 3.498 0.508 -2.265 -4.847 -7.246 -9.467 -11.559 -13.574 -13.770 -13.818 -13.689 -13.349 -12.766 -11.918 -10.804 -9.455 -7.935 -6.329 -4.721 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.638 36.123 29.515 23.772 18.757 14.337 10.398 6.847 3.610 0.630 -2.131 -4.697 -7.074 -9.264 -11.291 -13.676 -13.969 -14.148 -14.193 -14.081 -13.790 -13.300 -12.600 -11.694 -10.606 -9.375 -8.056 -6.699 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.712 36.210 29.606 23.864 18.850 14.432 10.496 6.951 3.720 0.749 -2.002 -4.554 -6.913 -9.080 -11.061 -13.723 -14.087 -14.359 -14.526 -14.572 -14.481 -14.237 -13.828 -13.249 -12.506 -11.615 -10.604 -9.505 -8.349 -7.163 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.783 36.295 29.694 23.954 18.941 14.525 10.592 7.051 3.827 0.864 -1.877 -4.416 -6.763 -8.912 -10.864 -13.731 -14.147 -14.488 -14.744 -14.904 -14.955 -14.886 -14.686 -14.348 -13.870 -13.256 -12.518 -11.676 -10.749 -9.757 -8.716 99999.999 99999.999 99999.999 99999.999 99999.999 43.852 36.377 29.780 24.042 19.030 14.616 10.686 7.150 3.932 0.977 -1.755 -4.285 -6.620 -8.760 -10.695 -13.710 -14.167 -14.560 -14.883 -15.127 -15.283 -15.342 -15.295 -15.135 -14.858 -14.463 -13.954 -13.338 -12.629 -11.839 -10.981 -10.064 -9.095 99999.999 99999.999 99999.999 43.917 36.456 29.864 24.128 19.117 14.705 10.778 7.247 4.035 1.087 -1.636 -4.158 -6.486 -8.619 -10.548 -13.667 -14.156 -14.590 -14.965 -15.273 -15.508 -15.663 -15.731 -15.706 -15.582 -15.358 -15.032 -14.608 -14.092 -13.490 -12.812 -12.065 -11.255 -10.387 99999.999 99999.999 43.980 36.534 29.946 24.212 19.203 14.792 10.869 7.341 4.135 1.194 -1.521 -4.035 -6.357 -8.487 -10.418 -13.608 -14.122 -14.589 -15.003 -15.361 -15.657 -15.886 -16.042 -16.120 -16.116 -16.025 -15.846 -15.579 -15.226 -14.791 -14.278 -13.693 -13.040 -12.324 -11.546 -10.707 44.040 36.609 30.026 24.294 19.286 14.877 10.957 7.433 4.233 1.299 -1.409 -3.915 -6.232 -8.360 -10.296 -13.536 -14.071 -14.563 -15.010 -15.407 -15.751 -16.037 -16.262 -16.421 -16.510 -16.525 -16.463 -16.324 -16.107 -15.813 -15.446 -15.007 -14.500 -13.929 -13.295 -12.600 44.513 37.252 30.728 25.021 20.030 15.640 11.746 8.260 5.109 2.235 -0.406 -2.845 -5.104 -7.196 -9.128 -12.543 -13.157 -13.748 -14.318 -14.866 -15.392 -15.895 -16.377 -16.837 -17.273 -17.687 -18.077 -18.443 -18.783 -19.099 -19.388 -19.651 -19.886 -20.094 -20.274 -20.425 44.786 37.728 31.279 25.607 20.638 16.268 12.397 8.941 5.830 3.004 0.418 -1.963 -4.165 -6.206 -8.099 -11.487 -12.107 -12.709 -13.294 -13.863 -14.416 -14.954 -15.477 -15.985 -16.480 -16.962 -17.430 -17.886 -18.329 -18.761 -19.180 -19.588 -19.984 -20.369 -20.744 -21.107 44.903 38.071 31.710 26.081 21.139 16.790 12.942 9.512 6.433 3.646 1.106 -1.225 -3.375 -5.365 -7.212 -10.530 -11.140 -11.733 -12.312 -12.875 -13.425 -13.961 -14.485 -14.997 -15.497 -15.987 -16.466 -16.936 -17.397 -17.850 -18.295 -18.732 -19.162 -19.585 -20.002 -20.413 44.893 38.307 32.044 26.464 21.553 17.228 13.401 9.995 6.943 4.190 1.688 -0.599 -2.704 -4.648 -6.450 -9.687 -10.282 -10.862 -11.428 -11.979 -12.517 -13.042 -13.556 -14.058 -14.550 -15.032 -15.505 -15.969 -16.425 -16.874 -17.316 -17.751 -18.181 -18.605 -19.025 -19.440 44.782 38.455 32.298 26.773 21.896 17.596 13.791 10.407 7.380 4.654 2.186 -0.065 -2.129 -4.031 -5.791 -8.949 -9.529 -10.094 -10.645 -11.183 -11.707 -12.219 -12.719 -13.209 -13.688 -14.158 -14.619 -15.071 -15.516 -15.953 -16.384 -16.809 -17.228 -17.642 -18.052 -18.457 44.586 38.531 32.485 27.019 22.179 17.906 14.123 10.761 7.756 5.055 2.615 0.396 -1.633 -3.498 -5.220 -8.302 -8.868 -9.419 -9.956 -10.479 -10.990 -11.488 -11.975 -12.451 -12.917 -13.373 -13.821 -14.260 -14.692 -15.116 -15.534 -15.946 -16.352 -16.753 -17.150 -17.542 44.320 38.547 32.616 27.212 22.412 18.167 14.407 11.065 8.081 5.404 2.988 0.797 -1.202 -3.034 -4.722 -7.735 -8.287 -8.825 -9.348 -9.858 -10.356 -10.841 -11.315 -11.778 -12.231 -12.674 -13.109 -13.536 -13.954 -14.366 -14.771 -15.169 -15.562 -15.950 -16.334 -16.713 99999.999 38.512 32.700 27.360 22.601 18.385 14.649 11.328 8.365 5.707 3.314 1.147 -0.825 -2.628 -4.286 -7.236 -7.776 -8.301 -8.812 -9.309 -9.794 -10.267 -10.729 -11.180 -11.621 -12.053 -12.475 -12.890 -13.296 -13.696 -14.089 -14.475 -14.856 -15.232 -15.603 -15.970 meionite Ca4Al6Si6O27C P-T:All Wt.(g/mol) = 934.710 V(cc/mol) = 339.850 D(g/cc) = 2.750 Ref: H&P2011 5 -25.000 1 4.000 9 6.000 8 6.000 7 1.000 5 94.318 79.318 66.154 54.673 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.318 79.318 66.154 54.673 44.587 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.326 79.326 66.162 54.680 44.595 35.635 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.341 79.341 66.176 54.695 44.609 35.649 27.584 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.365 79.366 66.201 54.719 44.634 35.674 27.609 20.250 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.405 79.406 66.241 54.759 44.673 35.714 27.650 20.293 13.484 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.463 79.466 66.300 54.817 44.731 35.773 27.711 20.357 13.554 7.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.546 79.551 66.384 54.900 44.814 35.857 27.798 20.448 13.652 7.257 1.097 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.660 79.667 66.499 55.014 44.928 35.972 27.917 20.574 13.787 7.407 1.271 -4.786 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.810 79.821 66.652 55.165 45.078 36.125 28.075 20.740 13.965 7.604 1.499 -4.509 -10.511 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.002 80.019 66.848 55.360 45.273 36.322 28.278 20.953 14.194 7.857 1.792 -4.153 -10.085 -15.858 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.243 80.269 67.097 55.606 45.519 36.571 28.535 21.224 14.484 8.177 2.161 -3.704 -9.534 -15.349 -20.147 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.425 80.459 67.286 55.794 45.707 36.762 28.731 21.430 14.704 8.419 2.440 -3.365 -9.111 -14.880 -20.692 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.678 80.724 67.552 56.058 45.971 37.029 29.007 21.719 15.013 8.758 2.830 -2.893 -8.518 -14.164 -20.300 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 95.923 80.983 67.811 56.316 46.229 37.290 29.276 22.001 15.314 9.088 3.206 -2.440 -7.946 -13.440 -19.485 15.479 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 96.159 81.233 68.063 56.567 46.480 37.545 29.539 22.276 15.607 9.408 3.570 -2.004 -7.399 -12.732 -18.543 -8.598 1.479 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 96.386 81.477 68.309 56.812 46.726 37.794 29.795 22.544 15.893 9.719 3.921 -1.587 -6.879 -12.055 -17.587 -14.167 -10.796 -4.570 4.551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 96.605 81.714 68.548 57.051 46.965 38.037 30.045 22.806 16.171 10.021 4.261 -1.187 -6.385 -11.416 -16.665 -16.500 -15.232 -12.665 -8.406 -2.537 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 96.815 81.943 68.781 57.284 47.200 38.275 30.289 23.061 16.442 10.315 4.589 -0.805 -5.919 -10.818 -15.803 -17.682 -17.358 -16.317 -14.339 -11.272 -7.219 -2.703 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 97.019 82.167 69.009 57.512 47.428 38.507 30.528 23.310 16.706 10.601 4.907 -0.439 -5.479 -10.263 -15.013 -18.318 -18.508 -18.246 -17.410 -15.882 -13.610 -10.685 -7.397 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 97.214 82.384 69.230 57.734 47.652 38.734 30.761 23.554 16.965 10.880 5.214 -0.089 -5.066 -9.751 -14.302 -18.649 -19.155 -19.347 -19.155 -18.501 -17.326 -15.616 -13.447 -10.989 -8.479 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 97.403 82.594 69.446 57.952 47.871 38.955 30.989 23.792 17.217 11.151 5.512 0.246 -4.677 -9.281 -13.668 -18.795 -19.509 -19.992 -20.198 -20.078 -19.585 -18.688 -17.393 -15.754 -13.881 -11.910 -9.974 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 97.584 82.799 69.657 58.164 48.084 39.172 31.212 24.025 17.463 11.415 5.800 0.567 -4.311 -8.850 -13.110 -18.821 -19.679 -20.359 -20.829 -21.057 -21.008 -20.653 -19.980 -18.998 -17.748 -16.298 -14.733 -13.130 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 97.758 82.998 69.862 58.371 48.293 39.384 31.431 24.252 17.704 11.673 6.080 0.875 -3.967 -8.456 -12.622 -18.766 -19.728 -20.547 -21.201 -21.667 -21.920 -21.938 -21.703 -21.211 -20.470 -19.511 -18.377 -17.120 -15.788 -14.417 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 97.926 83.192 70.062 58.574 48.497 39.592 31.644 24.475 17.939 11.924 6.351 1.171 -3.642 -8.094 -12.196 -18.653 -19.693 -20.613 -21.400 -22.036 -22.504 -22.785 -22.864 -22.731 -22.385 -21.834 -21.097 -20.204 -19.187 -18.073 -16.886 99999.999 99999.999 99999.999 99999.999 99999.999 98.087 83.380 70.258 58.771 48.697 39.795 31.853 24.692 18.168 12.169 6.615 1.456 -3.334 -7.760 -11.824 -18.500 -19.598 -20.595 -21.480 -22.241 -22.865 -23.338 -23.647 -23.781 -23.735 -23.508 -23.106 -22.544 -21.839 -21.010 -20.076 -19.048 -17.933 99999.999 99999.999 99999.999 98.242 83.562 70.448 58.965 48.893 39.994 32.057 24.905 18.393 12.409 6.871 1.731 -3.040 -7.450 -11.494 -18.317 -19.461 -20.516 -21.476 -22.331 -23.072 -23.687 -24.167 -24.503 -24.686 -24.713 -24.583 -24.302 -23.878 -23.322 -22.646 -21.860 -20.971 -19.982 99999.999 99999.999 98.391 83.740 70.634 59.154 49.084 40.189 32.258 25.114 18.613 12.643 7.122 1.997 -2.758 -7.156 -11.195 -18.113 -19.292 -20.393 -21.410 -22.338 -23.167 -23.891 -24.502 -24.990 -25.350 -25.576 -25.664 -25.616 -25.432 -25.120 -24.685 -24.134 -23.473 -22.706 -21.834 -20.856 98.534 83.912 70.816 59.339 49.271 40.379 32.454 25.318 18.828 12.872 7.366 2.257 -2.485 -6.874 -10.913 -17.893 -19.100 -20.236 -21.299 -22.282 -23.181 -23.990 -24.701 -25.308 -25.805 -26.187 -26.450 -26.590 -26.608 -26.506 -26.285 -25.950 -25.504 -24.951 -24.292 -23.528 99.663 85.387 72.405 60.977 50.942 42.086 34.211 27.147 20.754 14.917 9.547 4.579 -0.031 -4.314 -8.293 -15.412 -16.711 -17.970 -19.190 -20.371 -21.515 -22.621 -23.689 -24.720 -25.712 -26.666 -27.580 -28.455 -29.288 -30.078 -30.826 -31.528 -32.186 -32.796 -33.360 -33.875 100.335 86.477 73.650 62.295 52.306 43.490 35.662 28.659 22.343 16.601 11.342 6.494 2.005 -2.164 -6.042 -13.030 -14.317 -15.571 -16.793 -17.985 -19.147 -20.281 -21.387 -22.468 -23.524 -24.555 -25.563 -26.548 -27.512 -28.453 -29.373 -30.273 -31.152 -32.011 -32.850 -33.670 100.644 87.261 74.620 63.357 53.425 44.656 36.874 29.925 23.674 18.011 12.844 8.098 3.716 -0.346 -4.122 -10.931 -12.188 -13.413 -14.608 -15.775 -16.915 -18.029 -19.119 -20.186 -21.232 -22.256 -23.262 -24.249 -25.219 -26.172 -27.111 -28.034 -28.944 -29.842 -30.727 -31.601 100.660 87.796 75.366 64.211 54.347 45.629 37.894 30.995 24.802 19.206 14.116 9.457 5.169 1.203 -2.478 -9.105 -10.328 -11.520 -12.682 -13.817 -14.926 -16.010 -17.071 -18.109 -19.127 -20.125 -21.105 -22.068 -23.014 -23.946 -24.864 -25.769 -26.663 -27.545 -28.418 -29.281 100.438 88.126 75.925 64.891 55.103 46.442 38.756 31.905 25.764 20.227 15.204 10.621 6.414 2.534 -1.060 -7.517 -8.707 -9.866 -10.996 -12.098 -13.175 -14.227 -15.256 -16.264 -17.250 -18.218 -19.167 -20.100 -21.016 -21.918 -22.807 -23.683 -24.547 -25.401 -26.245 -27.080 100.017 88.285 76.328 65.425 55.721 47.120 39.485 32.682 26.590 21.106 16.142 11.624 7.489 3.684 0.169 -6.131 -7.290 -8.418 -9.517 -10.589 -11.636 -12.658 -13.657 -14.634 -15.590 -16.527 -17.447 -18.349 -19.235 -20.107 -20.965 -21.810 -22.644 -23.467 -24.280 -25.084 99.428 88.301 76.598 65.834 56.220 47.684 40.102 33.346 27.301 21.866 16.954 12.494 8.422 4.685 1.239 -4.918 -6.047 -7.147 -8.218 -9.262 -10.280 -11.274 -12.245 -13.194 -14.123 -15.032 -15.923 -16.797 -17.655 -18.498 -19.328 -20.145 -20.949 -21.743 -22.527 -23.302 99999.999 88.194 76.754 66.135 56.616 48.149 40.622 33.914 27.914 22.525 17.662 13.253 9.236 5.559 2.176 -3.851 -4.955 -6.029 -7.074 -8.092 -9.084 -10.052 -10.997 -11.921 -12.824 -13.707 -14.573 -15.421 -16.254 -17.071 -17.875 -18.666 -19.444 -20.212 -20.970 -21.718 merwinite Ca3MgSi2O8 P-T:All Wt.(g/mol) = 328.720 V(cc/mol) = 98.470 D(g/cc) = 3.338 Ref: H&P2011 4 3.000 9 1.000 10 2.000 7 -8.000 1 79.902 72.477 66.103 60.623 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.902 72.477 66.103 60.623 55.872 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.904 72.479 66.104 60.624 55.874 51.714 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.907 72.482 66.107 60.627 55.877 51.717 48.036 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.912 72.487 66.112 60.632 55.882 51.722 48.041 44.747 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.920 72.495 66.120 60.640 55.890 51.730 48.049 44.756 41.777 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.932 72.507 66.132 60.652 55.902 51.743 48.062 44.770 41.792 39.063 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.950 72.525 66.149 60.669 55.918 51.760 48.080 44.789 41.813 39.087 36.547 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.973 72.548 66.172 60.692 55.941 51.783 48.105 44.815 41.841 39.119 36.585 34.178 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.004 72.579 66.203 60.722 55.972 51.814 48.137 44.850 41.879 39.161 36.635 34.241 31.931 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.043 72.619 66.242 60.761 56.011 51.854 48.179 44.894 41.927 39.216 36.699 34.321 32.032 29.825 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.092 72.668 66.291 60.809 56.060 51.904 48.231 44.950 41.988 39.284 36.780 34.421 32.160 29.960 27.943 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.128 72.705 66.328 60.846 56.097 51.942 48.270 44.992 42.034 39.335 36.840 34.497 32.257 30.076 27.889 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.177 72.757 66.379 60.897 56.148 51.995 48.326 45.051 42.098 39.407 36.925 34.601 32.392 30.248 28.027 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.224 72.806 66.429 60.947 56.198 52.046 48.379 45.107 42.160 39.476 37.005 34.701 32.521 30.417 28.237 32.970 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.269 72.853 66.476 60.994 56.246 52.095 48.431 45.163 42.219 39.543 37.083 34.796 32.644 30.581 28.466 28.701 30.176 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.310 72.897 66.521 61.040 56.293 52.143 48.481 45.216 42.277 39.607 37.157 34.886 32.759 30.735 28.691 27.710 28.001 28.792 30.017 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.350 72.940 66.565 61.084 56.338 52.189 48.529 45.267 42.333 39.669 37.228 34.972 32.868 30.880 28.906 27.310 27.222 27.372 27.816 28.505 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.387 72.981 66.607 61.127 56.381 52.234 48.576 45.317 42.387 39.729 37.297 35.054 32.971 31.015 29.104 27.120 26.862 26.741 26.790 27.027 27.415 27.836 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.421 73.020 66.647 61.168 56.423 52.277 48.621 45.365 42.440 39.787 37.363 35.132 33.066 31.139 29.284 27.028 26.679 26.418 26.267 26.242 26.344 26.548 26.786 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.454 73.057 66.686 61.207 56.463 52.319 48.665 45.412 42.490 39.843 37.426 35.206 33.156 31.253 29.446 26.991 26.586 26.245 25.980 25.803 25.721 25.732 25.814 25.930 26.031 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.484 73.092 66.723 61.245 56.502 52.359 48.707 45.457 42.539 39.897 37.487 35.276 33.240 31.356 29.589 26.986 26.545 26.153 25.818 25.548 25.349 25.225 25.170 25.170 25.201 25.236 25.248 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.512 73.126 66.759 61.282 56.539 52.398 48.748 45.501 42.587 39.949 37.546 35.343 33.318 31.451 29.715 27.002 26.536 26.110 25.729 25.399 25.124 24.907 24.750 24.648 24.591 24.563 24.547 24.529 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.538 73.158 66.793 61.317 56.576 52.436 48.788 45.544 42.633 40.000 37.602 35.407 33.391 31.537 29.824 27.031 26.547 26.098 25.686 25.314 24.987 24.708 24.477 24.296 24.160 24.061 23.991 23.938 23.894 23.853 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.562 73.188 66.825 61.351 56.611 52.472 48.826 45.585 42.677 40.049 37.656 35.467 33.460 31.616 29.920 27.070 26.573 26.107 25.672 25.271 24.908 24.584 24.301 24.060 23.860 23.699 23.571 23.470 23.390 23.326 23.274 99999.999 99999.999 99999.999 99999.999 99999.999 80.585 73.217 66.856 61.383 56.644 52.507 48.863 45.625 42.721 40.096 37.708 35.525 33.524 31.688 30.002 27.115 26.609 26.130 25.678 25.257 24.867 24.511 24.189 23.904 23.655 23.442 23.262 23.113 22.990 22.890 22.810 22.746 22.700 99999.999 99999.999 99999.999 80.605 73.244 66.886 61.414 56.677 52.541 48.899 45.663 42.763 40.142 37.759 35.581 33.585 31.754 30.075 27.164 26.651 26.163 25.699 25.262 24.853 24.472 24.122 23.803 23.517 23.262 23.040 22.847 22.682 22.544 22.428 22.335 22.262 22.210 99999.999 99999.999 80.624 73.270 66.914 61.444 56.708 52.574 48.934 45.700 42.803 40.187 37.808 35.635 33.643 31.816 30.141 27.217 26.699 26.203 25.730 25.281 24.857 24.459 24.087 23.743 23.427 23.140 22.882 22.653 22.451 22.275 22.125 21.998 21.894 21.812 21.753 21.716 80.640 73.294 66.942 61.473 56.738 52.606 48.968 45.737 42.843 40.230 37.855 35.686 33.699 31.876 30.202 27.271 26.749 26.248 25.768 25.311 24.875 24.463 24.075 23.711 23.373 23.060 22.774 22.514 22.280 22.072 21.888 21.729 21.593 21.481 21.391 21.324 80.721 73.464 67.149 61.702 56.984 52.869 49.250 46.042 43.177 40.598 38.261 36.132 34.183 32.395 30.749 27.830 27.299 26.785 26.286 25.801 25.332 24.876 24.434 24.006 23.591 23.188 22.799 22.422 22.058 21.707 21.369 21.043 20.731 20.431 20.145 19.871 80.667 73.523 67.258 61.841 57.144 53.048 49.448 46.263 43.422 40.872 38.567 36.472 34.558 32.803 31.189 28.322 27.800 27.292 26.799 26.320 25.853 25.400 24.958 24.528 24.109 23.700 23.301 22.912 22.533 22.163 21.801 21.448 21.103 20.766 20.437 20.116 80.506 73.493 67.289 61.907 57.236 53.161 49.582 46.417 43.600 41.074 38.797 36.731 34.848 33.124 31.540 28.730 28.218 27.721 27.237 26.768 26.311 25.866 25.433 25.010 24.599 24.197 23.804 23.421 23.046 22.680 22.321 21.969 21.625 21.287 20.956 20.630 80.260 73.392 67.255 61.914 57.273 53.221 49.663 46.519 43.723 41.220 38.968 36.928 35.072 33.376 31.820 29.064 28.562 28.075 27.602 27.143 26.696 26.261 25.837 25.425 25.023 24.630 24.247 23.873 23.507 23.149 22.799 22.455 22.119 21.788 21.464 21.146 79.942 73.231 67.169 61.873 57.264 53.237 49.702 46.578 43.802 41.321 39.090 37.075 35.244 33.573 32.042 29.336 28.844 28.367 27.903 27.454 27.016 26.591 26.177 25.774 25.381 24.998 24.625 24.260 23.904 23.555 23.214 22.880 22.553 22.232 21.917 21.608 79.566 73.021 67.038 61.791 57.216 53.216 49.703 46.601 43.845 41.383 39.174 37.180 35.371 33.723 32.216 29.556 29.073 28.605 28.151 27.710 27.282 26.865 26.460 26.066 25.682 25.308 24.944 24.588 24.240 23.901 23.569 23.244 22.926 22.614 22.308 22.008 79.140 72.769 66.869 61.673 57.135 53.164 49.675 46.593 43.857 41.415 39.225 37.250 35.462 33.836 32.350 29.733 29.258 28.799 28.353 27.920 27.500 27.092 26.695 26.309 25.934 25.568 25.211 24.864 24.524 24.193 23.869 23.553 23.243 22.939 22.641 22.350 99999.999 72.482 66.668 61.525 57.025 53.084 49.619 46.559 43.843 41.420 39.248 37.292 35.523 33.916 32.450 29.872 29.406 28.954 28.516 28.091 27.678 27.278 26.889 26.510 26.142 25.784 25.435 25.095 24.763 24.439 24.123 23.813 23.511 23.215 22.925 22.640 microcline KAlSi3O8 P-T:All Wt.(g/mol) = 278.340 V(cc/mol) = 108.710 D(g/cc) = 2.560 Ref: H&P2011 5 1.000 12 1.000 8 3.000 7 -4.000 2 -4.000 1 -0.328 -0.845 -1.448 -2.021 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.328 -0.845 -1.448 -2.021 -2.542 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.326 -0.843 -1.446 -2.020 -2.541 -3.011 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.324 -0.841 -1.444 -2.017 -2.538 -3.008 -3.438 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.321 -0.836 -1.439 -2.012 -2.533 -3.003 -3.433 -3.833 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.315 -0.829 -1.432 -2.005 -2.525 -2.995 -3.424 -3.824 -4.205 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.307 -0.819 -1.421 -1.994 -2.514 -2.984 -3.412 -3.812 -4.192 -4.567 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.233 -0.726 -1.321 -1.891 -2.410 -2.877 -3.302 -3.695 -4.068 -4.432 -4.801 -5.193 -5.622 -6.068 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.202 -0.686 -1.278 -1.846 -2.363 -2.829 -3.252 -3.643 -4.012 -4.371 -4.733 -5.113 -5.525 -5.972 -6.328 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.180 -0.656 -1.245 -1.812 -2.328 -2.793 -3.214 -3.604 -3.970 -4.325 -4.681 -5.052 -5.451 -5.889 -6.374 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 -0.077 -0.505 -1.076 -1.634 -2.144 -2.602 -3.016 -3.395 -3.748 -4.084 -4.410 -4.735 -5.064 -5.410 -5.836 -4.822 -4.274 -3.346 -2.027 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.058 -0.473 -1.039 -1.594 -2.102 -2.559 -2.971 -3.347 -3.697 -4.028 -4.349 -4.664 -4.979 -5.302 -5.687 -5.101 -4.833 -4.396 -3.734 -2.858 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.042 -0.443 -1.004 -1.556 -2.062 -2.517 -2.927 -3.301 -3.647 -3.975 -4.289 -4.596 -4.898 -5.202 -5.547 -5.228 -5.085 -4.850 -4.493 -3.994 -3.364 -2.674 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.027 -0.415 -0.970 -1.520 -2.024 -2.477 -2.885 -3.256 -3.600 -3.923 -4.232 -4.531 -4.822 -5.108 -5.419 -5.285 -5.208 -5.075 -4.870 -4.575 -4.184 -3.708 -3.185 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.016 -0.389 -0.938 -1.485 -1.987 -2.438 -2.844 -3.213 -3.554 -3.873 -4.178 -4.469 -4.750 -5.021 -5.303 -5.302 -5.266 -5.192 -5.071 -4.891 -4.645 -4.331 -3.958 -3.548 -3.132 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.006 -0.365 -0.908 -1.452 -1.952 -2.401 -2.805 -3.171 -3.509 -3.825 -4.125 -4.410 -4.682 -4.940 -5.198 -5.297 -5.287 -5.250 -5.180 -5.070 -4.914 -4.707 -4.449 -4.148 -3.818 -3.476 -3.139 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.002 -0.342 -0.880 -1.421 -1.918 -2.366 -2.767 -3.131 -3.466 -3.779 -4.074 -4.354 -4.618 -4.866 -5.104 -5.277 -5.285 -5.273 -5.237 -5.172 -5.073 -4.937 -4.761 -4.546 -4.298 -4.025 -3.739 -3.448 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.007 -0.322 -0.853 -1.391 -1.886 -2.331 -2.731 -3.092 -3.424 -3.734 -4.025 -4.299 -4.557 -4.797 -5.021 -5.247 -5.268 -5.274 -5.260 -5.226 -5.166 -5.077 -4.959 -4.808 -4.627 -4.419 -4.189 -3.944 -3.691 -3.433 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.011 -0.303 -0.828 -1.362 -1.855 -2.298 -2.695 -3.055 -3.384 -3.690 -3.977 -4.248 -4.500 -4.734 -4.947 -5.211 -5.241 -5.259 -5.262 -5.249 -5.216 -5.162 -5.083 -4.979 -4.849 -4.694 -4.517 -4.320 -4.108 -3.885 -3.652 99999.999 99999.999 99999.999 99999.999 99999.999 0.012 -0.286 -0.805 -1.335 -1.825 -2.266 -2.662 -3.018 -3.345 -3.648 -3.932 -4.198 -4.446 -4.675 -4.881 -5.171 -5.208 -5.235 -5.250 -5.252 -5.239 -5.208 -5.159 -5.089 -4.998 -4.885 -4.751 -4.598 -4.427 -4.241 -4.042 -3.831 -3.609 99999.999 99999.999 99999.999 0.011 -0.271 -0.783 -1.309 -1.797 -2.236 -2.629 -2.984 -3.307 -3.607 -3.888 -4.150 -4.395 -4.620 -4.822 -5.127 -5.169 -5.203 -5.227 -5.241 -5.242 -5.229 -5.202 -5.157 -5.095 -5.015 -4.916 -4.799 -4.665 -4.515 -4.350 -4.171 -3.979 -3.775 99999.999 99999.999 0.009 -0.257 -0.762 -1.285 -1.770 -2.207 -2.598 -2.950 -3.271 -3.568 -3.845 -4.104 -4.346 -4.568 -4.767 -5.082 -5.128 -5.167 -5.198 -5.220 -5.231 -5.232 -5.221 -5.196 -5.156 -5.101 -5.030 -4.943 -4.840 -4.721 -4.588 -4.440 -4.279 -4.104 -3.916 -3.714 0.005 -0.245 -0.743 -1.262 -1.744 -2.179 -2.567 -2.917 -3.236 -3.530 -3.804 -4.060 -4.298 -4.517 -4.716 -5.035 -5.084 -5.127 -5.163 -5.191 -5.211 -5.222 -5.223 -5.213 -5.191 -5.155 -5.106 -5.043 -4.966 -4.874 -4.769 -4.649 -4.516 -4.369 -4.210 -4.036 -0.129 -0.201 -0.620 -1.095 -1.547 -1.957 -2.323 -2.649 -2.943 -3.209 -3.454 -3.680 -3.889 -4.082 -4.260 -4.569 -4.624 -4.677 -4.727 -4.774 -4.820 -4.863 -4.903 -4.941 -4.976 -5.008 -5.038 -5.064 -5.086 -5.105 -5.120 -5.131 -5.138 -5.140 -5.137 -5.129 -0.403 -0.276 -0.605 -1.027 -1.444 -1.826 -2.167 -2.470 -2.739 -2.980 -3.198 -3.397 -3.579 -3.746 -3.899 -4.169 -4.217 -4.264 -4.309 -4.354 -4.396 -4.438 -4.478 -4.517 -4.555 -4.592 -4.628 -4.663 -4.698 -4.731 -4.763 -4.794 -4.824 -4.854 -4.882 -4.909 -0.790 -0.449 -0.677 -1.040 -1.416 -1.766 -2.081 -2.360 -2.605 -2.823 -3.016 -3.190 -3.347 -3.489 -3.618 -3.843 -3.884 -3.923 -3.960 -3.997 -4.033 -4.067 -4.101 -4.134 -4.167 -4.199 -4.230 -4.261 -4.292 -4.322 -4.352 -4.382 -4.412 -4.442 -4.472 -4.502 -1.267 -0.700 -0.821 -1.119 -1.450 -1.767 -2.053 -2.307 -2.529 -2.723 -2.893 -3.043 -3.177 -3.296 -3.402 -3.584 -3.616 -3.647 -3.676 -3.705 -3.733 -3.760 -3.786 -3.812 -3.837 -3.861 -3.886 -3.910 -3.934 -3.958 -3.981 -4.005 -4.030 -4.054 -4.079 -4.104 -1.820 -1.017 -1.024 -1.253 -1.536 -1.816 -2.073 -2.300 -2.499 -2.670 -2.818 -2.946 -3.058 -3.155 -3.240 -3.380 -3.404 -3.427 -3.448 -3.469 -3.489 -3.509 -3.527 -3.545 -3.563 -3.580 -3.597 -3.614 -3.631 -3.648 -3.664 -3.681 -3.698 -3.716 -3.733 -3.752 -2.437 -1.390 -1.277 -1.434 -1.667 -1.908 -2.134 -2.334 -2.508 -2.657 -2.784 -2.891 -2.981 -3.057 -3.122 -3.223 -3.239 -3.254 -3.269 -3.282 -3.295 -3.307 -3.318 -3.329 -3.340 -3.350 -3.360 -3.369 -3.379 -3.389 -3.399 -3.408 -3.419 -3.429 -3.440 -3.451 -3.108 -1.810 -1.575 -1.655 -1.835 -2.036 -2.229 -2.402 -2.552 -2.678 -2.784 -2.870 -2.940 -2.997 -3.042 -3.105 -3.114 -3.122 -3.130 -3.136 -3.142 -3.147 -3.152 -3.156 -3.160 -3.163 -3.166 -3.169 -3.172 -3.176 -3.179 -3.182 -3.186 -3.190 -3.194 -3.199 99999.999 -2.273 -1.910 -1.912 -2.037 -2.196 -2.356 -2.500 -2.625 -2.729 -2.813 -2.879 -2.930 -2.968 -2.995 -3.022 -3.024 -3.026 -3.026 -3.026 -3.025 -3.024 -3.022 -3.020 -3.017 -3.014 -3.011 -3.008 -3.005 -3.002 -2.999 -2.996 -2.994 -2.992 -2.990 -2.989 monticellite CaMgSiO4 P-T:All Wt.(g/mol) = 156.480 V(cc/mol) = 51.480 D(g/cc) = 3.040 Ref: H&P2011 4 1.000 9 1.000 10 1.000 7 -4.000 1 35.427 31.989 29.037 26.501 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.427 31.989 29.037 26.501 24.307 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.428 31.990 29.038 26.502 24.308 22.389 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.430 31.992 29.039 26.504 24.309 22.391 20.695 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.433 31.995 29.042 26.507 24.312 22.394 20.698 19.182 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.437 31.999 29.046 26.511 24.317 22.398 20.703 19.187 17.815 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.444 32.006 29.053 26.518 24.323 22.405 20.710 19.194 17.823 16.566 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.454 32.016 29.063 26.527 24.333 22.415 20.720 19.205 17.835 16.579 15.407 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.467 32.029 29.076 26.540 24.345 22.428 20.733 19.219 17.851 16.597 15.427 14.313 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.484 32.046 29.093 26.557 24.362 22.445 20.751 19.238 17.871 16.620 15.455 14.346 13.273 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.506 32.069 29.115 26.578 24.384 22.467 20.774 19.262 17.898 16.650 15.489 14.389 13.326 12.304 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.533 32.096 29.142 26.606 24.412 22.495 20.803 19.293 17.931 16.687 15.533 14.443 13.394 12.372 11.459 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.553 32.117 29.163 26.627 24.433 22.516 20.825 19.317 17.956 16.715 15.566 14.483 13.446 12.433 11.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.581 32.146 29.192 26.656 24.462 22.546 20.856 19.349 17.992 16.754 15.611 14.540 13.518 12.522 11.484 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.608 32.174 29.220 26.684 24.490 22.575 20.886 19.381 18.026 16.792 15.655 14.593 13.587 12.612 11.592 14.648 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.633 32.201 29.247 26.711 24.517 22.603 20.915 19.412 18.059 16.829 15.697 14.645 13.652 12.699 11.711 12.189 13.110 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.657 32.227 29.274 26.737 24.544 22.630 20.943 19.441 18.091 16.864 15.738 14.694 13.714 12.781 11.829 11.617 11.855 12.381 13.171 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.680 32.252 29.299 26.762 24.569 22.656 20.970 19.470 18.122 16.898 15.777 14.740 13.773 12.858 11.943 11.383 11.403 11.559 11.885 12.360 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.701 32.276 29.323 26.787 24.594 22.681 20.997 19.498 18.152 16.931 15.815 14.785 13.828 12.930 12.048 11.269 11.191 11.191 11.288 11.494 11.792 12.116 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.722 32.298 29.347 26.811 24.618 22.706 21.023 19.526 18.181 16.964 15.851 14.827 13.880 12.996 12.144 11.212 11.081 11.000 10.981 11.034 11.162 11.350 11.564 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.741 32.320 29.369 26.834 24.641 22.730 21.048 19.552 18.210 16.995 15.886 14.868 13.928 13.057 12.230 11.185 11.023 10.895 10.811 10.775 10.795 10.868 10.984 11.122 11.256 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.759 32.341 29.391 26.856 24.664 22.753 21.072 19.578 18.237 17.025 15.919 14.906 13.974 13.113 12.306 11.178 10.994 10.837 10.712 10.623 10.574 10.567 10.601 10.668 10.754 10.844 10.924 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.776 32.361 29.412 26.877 24.686 22.776 21.095 19.603 18.264 17.054 15.952 14.943 14.016 13.164 12.373 11.183 10.984 10.808 10.656 10.531 10.438 10.378 10.351 10.356 10.387 10.436 10.493 10.551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.792 32.381 29.432 26.898 24.707 22.798 21.118 19.627 18.290 17.082 15.983 14.978 14.056 13.211 12.432 11.196 10.987 10.796 10.626 10.477 10.354 10.256 10.186 10.144 10.128 10.133 10.155 10.188 10.226 10.267 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.807 32.399 29.452 26.918 24.728 22.819 21.140 19.650 18.315 17.110 16.013 15.011 14.094 13.253 12.483 11.214 10.998 10.797 10.613 10.448 10.303 10.179 10.078 10.001 9.947 9.914 9.900 9.903 9.917 9.940 9.970 99999.999 99999.999 99999.999 99999.999 99999.999 35.822 32.417 29.471 26.937 24.748 22.840 21.162 19.673 18.340 17.136 16.042 15.043 14.129 13.292 12.527 11.236 11.014 10.806 10.613 10.435 10.274 10.131 10.008 9.904 9.821 9.757 9.713 9.685 9.672 9.672 9.683 9.704 9.734 99999.999 99999.999 99999.999 35.835 32.433 29.489 26.956 24.767 22.860 21.183 19.695 18.364 17.162 16.071 15.074 14.162 13.328 12.566 11.261 11.035 10.821 10.620 10.433 10.261 10.104 9.964 9.840 9.735 9.647 9.576 9.522 9.484 9.460 9.449 9.450 9.462 9.485 99999.999 99999.999 35.847 32.449 29.506 26.974 24.786 22.879 21.203 19.717 18.387 17.188 16.098 15.104 14.194 13.362 12.602 11.288 11.059 10.840 10.634 10.440 10.259 10.092 9.938 9.800 9.677 9.569 9.478 9.402 9.341 9.295 9.263 9.243 9.236 9.240 9.257 9.286 35.858 32.465 29.523 26.992 24.804 22.898 21.223 19.738 18.410 17.212 16.125 15.133 14.225 13.394 12.635 11.317 11.084 10.863 10.652 10.453 10.265 10.089 9.926 9.776 9.640 9.517 9.409 9.315 9.235 9.169 9.117 9.077 9.051 9.036 9.034 9.044 35.927 32.581 29.658 27.137 24.957 23.058 21.393 19.919 18.605 17.424 16.356 15.383 14.495 13.681 12.934 11.615 11.376 11.145 10.921 10.704 10.495 10.292 10.096 9.906 9.723 9.546 9.375 9.211 9.053 8.902 8.757 8.618 8.486 8.361 8.242 8.129 35.928 32.641 29.743 27.236 25.066 23.176 21.519 20.056 18.754 17.588 16.535 15.580 14.709 13.911 13.179 11.884 11.649 11.420 11.199 10.984 10.775 10.571 10.374 10.182 9.994 9.812 9.635 9.462 9.293 9.129 8.969 8.813 8.661 8.512 8.368 8.227 35.874 32.656 29.788 27.298 25.140 23.260 21.613 20.159 18.868 17.714 16.675 15.735 14.879 14.097 13.380 12.112 11.882 11.658 11.441 11.230 11.026 10.826 10.632 10.444 10.260 10.080 9.905 9.734 9.567 9.404 9.244 9.088 8.934 8.784 8.637 8.492 35.777 32.634 29.800 27.331 25.186 23.317 21.679 20.236 18.955 17.811 16.784 15.857 15.015 14.247 13.544 12.302 12.077 11.859 11.647 11.441 11.241 11.046 10.857 10.673 10.494 10.319 10.148 9.981 9.818 9.659 9.503 9.350 9.200 9.054 8.909 8.768 35.644 32.582 29.786 27.338 25.208 23.351 21.724 20.290 19.018 17.885 16.869 15.953 15.123 14.368 13.677 12.461 12.240 12.027 11.820 11.619 11.423 11.234 11.049 10.870 10.695 10.524 10.358 10.196 10.038 9.883 9.732 9.584 9.438 9.296 9.156 9.019 35.481 32.505 29.748 27.324 25.211 23.366 21.750 20.325 19.063 17.939 16.933 16.028 15.209 14.465 13.786 12.593 12.377 12.168 11.965 11.768 11.577 11.392 11.212 11.037 10.867 10.701 10.539 10.381 10.227 10.077 9.930 9.786 9.646 9.508 9.372 9.240 35.292 32.406 29.692 27.292 25.197 23.365 21.760 20.345 19.092 17.978 16.981 16.085 15.276 14.542 13.874 12.702 12.490 12.285 12.087 11.894 11.707 11.526 11.350 11.179 11.013 10.851 10.693 10.540 10.390 10.244 10.101 9.961 9.825 9.691 9.560 9.431 99999.999 32.290 29.618 27.245 25.168 23.350 21.756 20.351 19.108 18.002 17.014 16.127 15.327 14.603 13.944 12.792 12.584 12.383 12.188 11.999 11.816 11.639 11.467 11.300 11.137 10.979 10.825 10.675 10.529 10.386 10.247 10.111 9.978 9.848 9.721 9.596 mullite-Al Al2.5Si0.5O4.75 P-T:All Wt.(g/mol) = 314.983 V(cc/mol) = 50.830 D(g/cc) = 6.197 Ref: H&P2011 4 5.000 8 1.000 7 5.500 2 -15.000 1 518.372 469.909 428.813 393.580 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 518.372 469.909 428.813 393.580 363.038 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 518.375 469.912 428.815 393.583 363.041 336.290 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 518.380 469.917 428.821 393.589 363.047 336.296 312.641 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 518.388 469.927 428.830 393.598 363.056 336.306 312.652 291.550 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 518.402 469.941 428.845 393.613 363.071 336.322 312.668 291.568 272.591 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 518.422 469.963 428.867 393.635 363.094 336.345 312.693 291.595 272.621 255.414 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 518.451 469.993 428.898 393.666 363.126 336.378 312.729 291.634 272.664 255.463 239.718 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 518.490 470.035 428.940 393.709 363.169 336.424 312.777 291.686 272.722 255.529 239.797 225.264 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 518.542 470.090 428.996 393.766 363.227 336.484 312.841 291.755 272.799 255.617 239.902 225.394 211.924 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 518.608 470.161 429.068 393.839 363.302 336.561 312.923 291.845 272.898 255.729 240.037 225.562 212.120 199.776 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 518.690 470.251 429.159 393.931 363.396 336.659 313.027 291.958 273.022 255.871 240.206 225.774 212.381 199.953 189.322 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 518.752 470.318 429.229 394.001 363.468 336.734 313.106 292.043 273.117 255.978 240.334 225.935 212.584 200.155 188.699 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 518.838 470.413 429.326 394.099 363.568 336.839 313.217 292.163 273.249 256.128 240.513 226.160 212.872 200.489 188.699 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 518.920 470.504 429.420 394.195 363.666 336.940 313.325 292.280 273.377 256.273 240.685 226.375 213.152 200.842 189.038 201.584 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 518.999 470.592 429.511 394.288 363.762 337.039 313.430 292.393 273.502 256.414 240.850 226.582 213.421 201.193 189.493 183.270 188.519 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 519.074 470.678 429.600 394.379 363.854 337.136 313.532 292.503 273.623 256.550 241.010 226.779 213.676 201.533 189.978 178.918 179.080 181.520 186.404 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 519.146 470.760 429.686 394.467 363.945 337.230 313.632 292.611 273.740 256.682 241.163 226.967 213.917 201.854 190.454 176.991 175.563 175.207 176.244 178.676 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 519.215 470.840 429.769 394.552 364.033 337.321 313.729 292.715 273.855 256.810 241.311 227.145 214.143 202.154 190.903 175.934 173.787 172.268 171.547 171.757 172.852 174.485 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 519.281 470.918 429.850 394.636 364.118 337.410 313.823 292.817 273.966 256.934 241.454 227.315 214.354 202.429 191.312 175.296 172.753 170.637 169.039 168.051 167.725 168.011 168.712 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 519.343 470.992 429.929 394.717 364.202 337.497 313.915 292.916 274.074 257.054 241.591 227.477 214.551 202.681 191.678 174.894 172.106 169.638 167.542 165.877 164.692 164.001 163.759 163.848 164.098 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 519.403 471.065 430.006 394.796 364.283 337.582 314.005 293.012 274.179 257.171 241.723 227.630 214.734 202.908 191.998 174.638 171.686 168.991 166.586 164.506 162.786 161.453 160.504 159.904 159.577 159.420 159.332 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 519.460 471.135 430.081 394.873 364.363 337.665 314.092 293.106 274.282 257.284 241.850 227.776 214.904 203.113 192.274 174.478 171.411 168.561 165.948 163.595 161.528 159.767 158.323 157.189 156.338 155.719 155.269 154.924 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 519.515 471.202 430.153 394.948 364.440 337.745 314.177 293.198 274.382 257.395 241.973 227.914 215.062 203.297 192.508 174.385 171.234 168.272 165.513 162.973 160.667 158.612 156.819 155.293 154.026 152.996 152.169 151.505 150.963 150.511 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 519.566 471.268 430.223 395.021 364.516 337.824 314.261 293.287 274.480 257.502 242.092 228.046 215.209 203.462 192.705 174.340 171.125 168.081 165.215 162.539 160.063 157.799 155.757 153.944 152.359 150.994 149.835 148.857 148.035 147.342 146.757 99999.999 99999.999 99999.999 99999.999 99999.999 519.615 471.331 430.292 395.092 364.589 337.901 314.342 293.375 274.575 257.606 242.207 228.172 215.347 203.611 192.871 174.331 171.066 167.959 165.013 162.236 159.635 157.218 154.993 152.966 151.139 149.512 148.078 146.825 145.738 144.797 143.987 143.294 142.708 99999.999 99999.999 99999.999 519.662 471.392 430.358 395.161 364.661 337.976 314.421 293.460 274.667 257.708 242.318 228.294 215.476 203.747 193.012 174.347 171.044 167.888 164.881 162.027 159.331 156.799 154.436 152.247 150.236 148.404 146.750 145.266 143.946 142.777 141.748 140.847 140.065 139.396 99999.999 99999.999 519.706 471.451 430.423 395.229 364.731 338.049 314.499 293.543 274.758 257.807 242.426 228.410 215.600 203.873 193.135 174.384 171.050 167.855 164.799 161.885 159.116 156.496 154.027 151.715 149.561 147.569 145.738 144.066 142.548 141.179 139.950 138.853 137.881 137.027 136.286 135.657 519.748 471.508 430.485 395.294 364.800 338.121 314.574 293.624 274.846 257.904 242.532 228.524 215.720 203.994 193.250 174.436 171.078 167.851 164.757 161.796 158.969 156.279 153.728 151.319 149.054 146.935 144.963 143.137 141.456 139.916 138.512 137.239 136.090 135.061 134.146 133.343 520.048 471.979 431.023 395.867 365.400 338.751 315.242 294.342 275.625 258.756 243.464 229.533 216.794 205.108 194.361 175.324 171.868 168.518 165.273 162.127 159.079 156.125 153.263 150.490 147.805 145.205 142.689 140.255 137.903 135.631 133.437 131.322 129.283 127.320 125.431 123.615 520.168 472.299 431.423 396.311 365.875 339.255 315.780 294.919 276.253 259.442 244.216 230.355 217.681 206.053 195.349 176.333 172.867 169.502 166.235 163.062 159.978 156.980 154.066 151.230 148.472 145.787 143.173 140.629 138.150 135.736 133.383 131.091 128.856 126.678 124.555 122.484 520.145 472.498 431.714 396.653 366.251 339.661 316.216 295.390 276.765 260.003 244.833 231.031 218.418 206.848 196.197 177.257 173.802 170.446 167.185 164.016 160.934 157.935 155.017 152.175 149.408 146.710 144.081 141.516 139.013 136.571 134.185 131.855 129.577 127.351 125.173 123.042 520.008 472.600 431.918 396.912 366.548 339.988 316.572 295.778 277.188 260.467 245.344 231.594 219.035 207.519 196.919 178.071 174.632 171.290 168.044 164.887 161.818 158.831 155.923 153.090 150.331 147.641 145.017 142.457 139.958 137.518 135.133 132.803 130.523 128.293 126.110 123.972 519.780 472.624 432.049 397.103 366.780 340.251 316.864 296.098 277.540 260.855 245.771 232.066 219.555 208.087 197.537 178.780 175.357 172.033 168.802 165.661 162.607 159.635 156.741 153.923 151.177 148.500 145.889 143.342 140.855 138.426 136.053 133.733 131.464 129.244 127.071 124.943 519.477 472.584 432.121 397.238 366.957 340.461 317.102 296.364 277.834 261.180 246.131 232.464 219.995 208.572 198.066 179.396 175.990 172.681 169.467 166.342 163.303 160.346 157.468 154.665 151.934 149.271 146.675 144.142 141.670 139.255 136.896 134.591 132.336 130.130 127.971 125.857 519.112 472.490 432.143 397.325 367.088 340.626 317.295 296.583 278.080 261.454 246.436 232.803 220.371 208.986 198.520 179.931 176.540 173.248 170.048 166.939 163.915 160.973 158.109 155.321 152.604 149.956 147.375 144.856 142.398 139.998 137.653 135.362 133.122 130.931 128.786 126.687 99999.999 472.353 432.122 397.371 367.179 340.752 317.450 296.764 278.286 261.686 246.695 233.092 220.692 209.342 198.912 180.396 177.020 173.742 170.557 167.462 164.452 161.524 158.674 155.899 153.197 150.563 147.994 145.489 143.045 140.658 138.327 136.050 133.823 131.645 129.515 127.429 mullite-Si Al2SiO5 P-T:All Wt.(g/mol) = 162.043 V(cc/mol) = 49.870 D(g/cc) = 3.249 Ref: H&P2011 4 2.000 8 1.000 7 1.000 2 -6.000 1 19.453 15.729 12.488 9.672 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.453 15.729 12.488 9.672 7.204 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.454 15.730 12.489 9.673 7.205 5.016 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.457 15.733 12.492 9.676 7.209 5.020 3.052 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.462 15.738 12.497 9.682 7.214 5.025 3.057 1.265 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.469 15.747 12.506 9.690 7.222 5.033 3.066 1.274 -0.381 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.481 15.759 12.518 9.702 7.234 5.046 3.079 1.288 -0.366 -1.918 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.497 15.776 12.535 9.719 7.251 5.063 3.098 1.307 -0.345 -1.894 -3.380 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.519 15.799 12.559 9.743 7.275 5.088 3.123 1.334 -0.315 -1.862 -3.342 -4.792 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.548 15.830 12.590 9.774 7.307 5.120 3.157 1.370 -0.277 -1.819 -3.292 -4.732 -6.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.585 15.870 12.630 9.814 7.348 5.162 3.200 1.416 -0.227 -1.764 -3.228 -4.654 -6.058 -7.370 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.631 15.920 12.681 9.866 7.399 5.214 3.255 1.474 -0.165 -1.694 -3.147 -4.556 -5.939 -7.282 -8.222 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.666 15.958 12.720 9.905 7.438 5.255 3.296 1.518 -0.117 -1.642 -3.086 -4.481 -5.847 -7.189 -8.452 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.715 16.012 12.775 9.959 7.494 5.311 3.355 1.580 -0.050 -1.568 -3.001 -4.377 -5.717 -7.038 -8.429 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.761 16.064 12.828 10.013 7.548 5.366 3.412 1.641 0.015 -1.496 -2.919 -4.277 -5.590 -6.881 -8.274 2.503 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.806 16.114 12.879 10.065 7.600 5.420 3.468 1.699 0.078 -1.427 -2.839 -4.181 -5.469 -6.726 -8.075 -4.717 -1.590 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.849 16.163 12.929 10.116 7.652 5.472 3.523 1.757 0.139 -1.359 -2.762 -4.088 -5.353 -6.575 -7.864 -6.417 -5.299 -3.314 -0.398 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.891 16.210 12.978 10.165 7.702 5.524 3.576 1.813 0.199 -1.293 -2.688 -4.000 -5.243 -6.432 -7.658 -7.160 -6.669 -5.787 -4.387 -2.467 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.931 16.256 13.026 10.213 7.751 5.574 3.628 1.868 0.258 -1.230 -2.616 -3.916 -5.140 -6.299 -7.464 -7.559 -7.352 -6.929 -6.222 -5.177 -3.812 -2.264 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.969 16.301 13.072 10.260 7.798 5.622 3.678 1.921 0.315 -1.168 -2.546 -3.835 -5.042 -6.175 -7.285 -7.795 -7.743 -7.555 -7.193 -6.620 -5.814 -4.795 -3.638 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.006 16.344 13.118 10.306 7.845 5.670 3.728 1.973 0.370 -1.107 -2.479 -3.759 -4.951 -6.061 -7.125 -7.937 -7.982 -7.932 -7.766 -7.459 -6.991 -6.356 -5.569 -4.678 -3.748 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.041 16.386 13.162 10.351 7.891 5.717 3.776 2.024 0.425 -1.048 -2.415 -3.685 -4.865 -5.958 -6.984 -8.023 -8.131 -8.171 -8.126 -7.983 -7.725 -7.342 -6.833 -6.212 -5.507 -4.759 -4.006 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.075 16.427 13.205 10.395 7.935 5.762 3.823 2.074 0.478 -0.991 -2.352 -3.615 -4.785 -5.863 -6.860 -8.071 -8.224 -8.324 -8.361 -8.325 -8.204 -7.989 -7.674 -7.262 -6.763 -6.195 -5.583 -4.951 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.108 16.467 13.247 10.438 7.979 5.807 3.870 2.122 0.529 -0.935 -2.291 -3.548 -4.710 -5.777 -6.754 -8.093 -8.279 -8.423 -8.517 -8.554 -8.526 -8.427 -8.249 -7.991 -7.655 -7.248 -6.783 -6.276 -5.740 -5.188 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.139 16.505 13.287 10.480 8.021 5.851 3.915 2.170 0.580 -0.881 -2.232 -3.484 -4.640 -5.699 -6.662 -8.096 -8.308 -8.484 -8.619 -8.709 -8.748 -8.730 -8.651 -8.506 -8.294 -8.018 -7.684 -7.298 -6.872 -6.414 -5.932 99999.999 99999.999 99999.999 99999.999 99999.999 20.169 16.542 13.327 10.521 8.063 5.893 3.959 2.216 0.629 -0.828 -2.175 -3.422 -4.573 -5.628 -6.584 -8.086 -8.317 -8.517 -8.684 -8.814 -8.902 -8.944 -8.936 -8.874 -8.757 -8.584 -8.357 -8.080 -7.757 -7.396 -7.002 -6.579 -6.131 99999.999 99999.999 99999.999 20.197 16.579 13.366 10.561 8.104 5.935 4.002 2.262 0.678 -0.776 -2.119 -3.362 -4.510 -5.562 -6.516 -8.066 -8.312 -8.531 -8.722 -8.882 -9.007 -9.094 -9.139 -9.141 -9.096 -9.004 -8.863 -8.676 -8.445 -8.173 -7.864 -7.523 -7.152 -6.752 99999.999 99999.999 20.224 16.614 13.404 10.600 8.144 5.976 4.045 2.306 0.725 -0.726 -2.065 -3.304 -4.449 -5.500 -6.455 -8.038 -8.296 -8.530 -8.740 -8.923 -9.076 -9.198 -9.285 -9.335 -9.346 -9.317 -9.245 -9.132 -8.977 -8.784 -8.554 -8.289 -7.993 -7.666 -7.310 -6.925 20.250 16.648 13.441 10.638 8.183 6.016 4.086 2.350 0.771 -0.676 -2.012 -3.248 -4.391 -5.441 -6.397 -8.005 -8.272 -8.518 -8.743 -8.944 -9.120 -9.269 -9.388 -9.476 -9.531 -9.550 -9.534 -9.481 -9.390 -9.264 -9.102 -8.907 -8.679 -8.421 -8.134 -7.817 20.450 16.938 13.763 10.975 8.530 6.374 4.457 2.739 1.184 -0.235 -1.540 -2.745 -3.861 -4.894 -5.849 -7.539 -7.843 -8.136 -8.419 -8.691 -8.952 -9.202 -9.442 -9.671 -9.889 -10.095 -10.291 -10.474 -10.646 -10.805 -10.952 -11.086 -11.207 -11.314 -11.409 -11.490 20.558 17.149 14.014 11.246 8.813 6.668 4.763 3.060 1.524 0.127 -1.151 -2.329 -3.418 -4.428 -5.365 -7.043 -7.350 -7.649 -7.939 -8.221 -8.495 -8.761 -9.020 -9.272 -9.518 -9.756 -9.988 -10.214 -10.434 -10.648 -10.855 -11.057 -11.254 -11.445 -11.630 -11.810 20.591 17.298 14.208 11.463 9.045 6.911 5.018 3.328 1.808 0.430 -0.827 -1.981 -3.046 -4.032 -4.948 -6.593 -6.896 -7.190 -7.477 -7.757 -8.029 -8.295 -8.555 -8.809 -9.057 -9.299 -9.537 -9.770 -9.998 -10.221 -10.441 -10.657 -10.869 -11.078 -11.284 -11.487 20.566 17.396 14.356 11.637 9.235 7.114 5.233 3.554 2.048 0.686 -0.552 -1.686 -2.730 -3.694 -4.589 -6.197 -6.492 -6.781 -7.061 -7.335 -7.603 -7.864 -8.119 -8.368 -8.612 -8.851 -9.086 -9.316 -9.542 -9.764 -9.983 -10.198 -10.410 -10.620 -10.827 -11.031 20.493 17.452 14.466 11.775 9.392 7.284 5.414 3.747 2.252 0.905 -0.318 -1.434 -2.459 -3.404 -4.279 -5.849 -6.138 -6.419 -6.693 -6.961 -7.222 -7.476 -7.725 -7.969 -8.207 -8.441 -8.670 -8.894 -9.115 -9.332 -9.546 -9.756 -9.964 -10.169 -10.371 -10.571 20.379 17.473 14.544 11.884 9.519 7.425 5.567 3.911 2.428 1.093 -0.116 -1.217 -2.225 -3.152 -4.009 -5.545 -5.827 -6.101 -6.369 -6.630 -6.884 -7.133 -7.375 -7.612 -7.845 -8.072 -8.295 -8.513 -8.728 -8.939 -9.147 -9.351 -9.553 -9.752 -9.948 -10.142 20.233 17.466 14.595 11.966 9.623 7.543 5.697 4.052 2.580 1.255 0.059 -1.029 -2.022 -2.934 -3.775 -5.278 -5.553 -5.822 -6.083 -6.337 -6.586 -6.828 -7.065 -7.296 -7.522 -7.743 -7.960 -8.173 -8.381 -8.586 -8.788 -8.987 -9.182 -9.375 -9.565 -9.753 99999.999 17.435 14.623 12.027 9.705 7.641 5.807 4.173 2.711 1.397 0.211 -0.865 -1.845 -2.743 -3.570 -5.043 -5.312 -5.575 -5.830 -6.079 -6.322 -6.558 -6.789 -7.015 -7.235 -7.451 -7.662 -7.869 -8.072 -8.272 -8.468 -8.660 -8.850 -9.037 -9.222 -9.404 muscovite KAl3Si3O12H2 P-T:All Wt.(g/mol) = 398.310 V(cc/mol) = 140.830 D(g/cc) = 2.828 Ref: H&P2011 4 1.000 12 3.000 8 3.000 7 -10.000 1 15.172 11.416 8.044 5.086 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.172 11.416 8.044 5.086 2.484 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.175 11.418 8.046 5.088 2.487 0.174 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.179 11.423 8.051 5.093 2.492 0.179 -1.908 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.186 11.431 8.059 5.101 2.500 0.187 -1.899 -3.812 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.198 11.444 8.073 5.115 2.513 0.201 -1.885 -3.796 -5.578 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.214 11.463 8.092 5.134 2.533 0.222 -1.863 -3.774 -5.553 -7.247 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.238 11.490 8.120 5.162 2.562 0.251 -1.833 -3.741 -5.518 -7.208 -8.863 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.271 11.527 8.158 5.201 2.601 0.291 -1.791 -3.697 -5.470 -7.155 -8.801 -10.458 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.313 11.575 8.207 5.251 2.652 0.343 -1.736 -3.639 -5.407 -7.085 -8.720 -10.360 -12.020 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.367 11.636 8.271 5.316 2.718 0.411 -1.665 -3.564 -5.326 -6.995 -8.615 -10.232 -11.872 -13.435 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.434 11.714 8.352 5.398 2.801 0.496 -1.576 -3.469 -5.224 -6.881 -8.483 -10.072 -11.677 -13.278 -14.364 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.483 11.772 8.412 5.459 2.864 0.561 -1.509 -3.397 -5.147 -6.796 -8.384 -9.951 -11.527 -13.121 -14.672 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.551 11.852 8.497 5.546 2.952 0.652 -1.414 -3.297 -5.038 -6.676 -8.245 -9.782 -11.315 -12.873 -14.599 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.614 11.929 8.578 5.629 3.037 0.739 -1.322 -3.200 -4.933 -6.560 -8.112 -9.620 -11.111 -12.617 -14.335 2.262 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.674 12.003 8.657 5.710 3.120 0.825 -1.234 -3.105 -4.832 -6.448 -7.983 -9.465 -10.915 -12.365 -14.008 -8.353 -3.636 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.730 12.074 8.732 5.788 3.200 0.907 -1.147 -3.014 -4.733 -6.339 -7.859 -9.316 -10.728 -12.123 -13.668 -10.834 -9.072 -6.043 -1.665 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.783 12.141 8.805 5.863 3.277 0.987 -1.063 -2.925 -4.637 -6.234 -7.740 -9.175 -10.552 -11.893 -13.336 -11.903 -11.064 -9.655 -7.491 -4.576 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.832 12.206 8.875 5.936 3.352 1.065 -0.982 -2.838 -4.545 -6.132 -7.625 -9.039 -10.386 -11.679 -13.025 -12.469 -12.045 -11.309 -10.161 -8.523 -6.425 -4.076 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.878 12.268 8.943 6.007 3.425 1.140 -0.903 -2.755 -4.454 -6.034 -7.514 -8.911 -10.230 -11.481 -12.741 -12.794 -12.598 -12.206 -11.563 -10.616 -9.332 -7.744 -5.966 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.920 12.327 9.008 6.075 3.496 1.214 -0.826 -2.673 -4.367 -5.938 -7.408 -8.788 -10.084 -11.299 -12.485 -12.984 -12.928 -12.738 -12.382 -11.823 -11.034 -10.004 -8.759 -7.368 -5.931 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.960 12.383 9.071 6.141 3.564 1.285 -0.752 -2.594 -4.282 -5.845 -7.305 -8.671 -9.947 -11.132 -12.258 -13.091 -13.129 -13.068 -12.889 -12.569 -12.086 -11.423 -10.581 -9.580 -8.464 -7.290 -6.116 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.996 12.437 9.131 6.205 3.630 1.353 -0.680 -2.517 -4.199 -5.755 -7.206 -8.560 -9.819 -10.981 -12.060 -13.145 -13.247 -13.275 -13.214 -13.050 -12.765 -12.348 -11.789 -11.091 -10.270 -9.354 -8.378 -7.378 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.030 12.489 9.190 6.266 3.694 1.420 -0.609 -2.443 -4.119 -5.668 -7.110 -8.453 -9.699 -10.843 -11.889 -13.161 -13.311 -13.401 -13.423 -13.366 -13.218 -12.968 -12.607 -12.133 -11.548 -10.865 -10.100 -9.276 -8.415 -7.533 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.060 12.538 9.246 6.326 3.757 1.485 -0.541 -2.370 -4.041 -5.584 -7.017 -8.352 -9.587 -10.718 -11.741 -13.151 -13.336 -13.473 -13.555 -13.575 -13.523 -13.392 -13.173 -12.863 -12.459 -11.964 -11.387 -10.739 -10.034 -9.286 -8.505 99999.999 99999.999 99999.999 99999.999 99999.999 16.088 12.584 9.299 6.384 3.817 1.548 -0.475 -2.300 -3.965 -5.501 -6.928 -8.254 -9.481 -10.604 -11.614 -13.122 -13.334 -13.507 -13.634 -13.710 -13.729 -13.684 -13.570 -13.381 -13.114 -12.768 -12.347 -11.854 -11.298 -10.689 -10.033 -9.338 -8.606 99999.999 99999.999 99999.999 16.113 12.628 9.351 6.439 3.875 1.609 -0.410 -2.231 -3.891 -5.421 -6.841 -8.161 -9.381 -10.498 -11.504 -13.079 -13.312 -13.512 -13.673 -13.792 -13.865 -13.885 -13.849 -13.751 -13.589 -13.359 -13.063 -12.700 -12.276 -11.796 -11.263 -10.685 -10.064 -9.402 99999.999 99999.999 16.136 12.670 9.401 6.493 3.932 1.669 -0.348 -2.164 -3.819 -5.344 -6.757 -8.070 -9.285 -10.399 -11.404 -13.025 -13.276 -13.496 -13.685 -13.837 -13.950 -14.020 -14.043 -14.016 -13.934 -13.795 -13.598 -13.343 -13.031 -12.663 -12.244 -11.776 -11.263 -10.707 -10.108 -9.468 16.155 12.710 9.449 6.545 3.987 1.726 -0.287 -2.099 -3.750 -5.268 -6.675 -7.982 -9.193 -10.305 -11.311 -12.964 -13.228 -13.465 -13.675 -13.853 -13.998 -14.107 -14.176 -14.203 -14.184 -14.117 -14.000 -13.831 -13.611 -13.341 -13.021 -12.653 -12.240 -11.783 -11.284 -10.744 16.226 13.000 9.828 6.973 4.448 2.217 0.236 -1.539 -3.145 -4.612 -5.963 -7.214 -8.375 -9.451 -10.444 -12.191 -12.504 -12.804 -13.092 -13.368 -13.631 -13.882 -14.121 -14.347 -14.559 -14.758 -14.944 -15.114 -15.270 -15.410 -15.535 -15.643 -15.734 -15.807 -15.863 -15.901 16.101 13.124 10.059 7.262 4.777 2.579 0.629 -1.112 -2.680 -4.103 -5.406 -6.607 -7.719 -8.751 -9.707 -11.417 -11.729 -12.032 -12.327 -12.612 -12.890 -13.160 -13.422 -13.677 -13.925 -14.166 -14.400 -14.628 -14.849 -15.064 -15.273 -15.475 -15.671 -15.862 -16.046 -16.225 15.819 13.115 10.170 7.440 5.000 2.837 0.919 -0.790 -2.322 -3.707 -4.968 -6.125 -7.192 -8.180 -9.096 -10.739 -11.041 -11.335 -11.621 -11.900 -12.171 -12.437 -12.696 -12.949 -13.197 -13.440 -13.678 -13.912 -14.141 -14.367 -14.589 -14.808 -15.024 -15.236 -15.447 -15.655 15.412 12.998 10.183 7.528 5.137 3.013 1.128 -0.549 -2.050 -3.400 -4.624 -5.741 -6.767 -7.714 -8.591 -10.163 -10.452 -10.733 -11.007 -11.274 -11.534 -11.789 -12.038 -12.282 -12.521 -12.755 -12.986 -13.212 -13.435 -13.655 -13.872 -14.087 -14.299 -14.509 -14.718 -14.926 14.903 12.793 10.116 7.540 5.204 3.120 1.269 -0.377 -1.846 -3.165 -4.355 -5.437 -6.426 -7.336 -8.175 -9.676 -9.952 -10.220 -10.481 -10.735 -10.984 -11.226 -11.464 -11.696 -11.923 -12.146 -12.365 -12.581 -12.793 -13.003 -13.210 -13.414 -13.617 -13.817 -14.017 -14.215 14.308 12.513 9.981 7.490 5.210 3.169 1.354 -0.261 -1.701 -2.989 -4.149 -5.198 -6.154 -7.029 -7.834 -9.268 -9.531 -9.786 -10.034 -10.276 -10.513 -10.743 -10.968 -11.188 -11.404 -11.615 -11.823 -12.027 -12.228 -12.426 -12.621 -12.814 -13.005 -13.194 -13.382 -13.569 13.640 12.172 9.789 7.385 5.165 3.169 1.390 -0.193 -1.603 -2.863 -3.994 -5.014 -5.939 -6.782 -7.556 -8.927 -9.177 -9.420 -9.657 -9.887 -10.111 -10.330 -10.544 -10.753 -10.957 -11.157 -11.353 -11.546 -11.735 -11.922 -12.106 -12.288 -12.468 -12.646 -12.823 -12.998 99999.999 11.776 9.546 7.233 5.076 3.127 1.385 -0.166 -1.547 -2.779 -3.883 -4.876 -5.772 -6.587 -7.331 -8.643 -8.882 -9.114 -9.339 -9.558 -9.772 -9.979 -10.182 -10.380 -10.574 -10.763 -10.949 -11.131 -11.310 -11.486 -11.660 -11.831 -12.001 -12.168 -12.334 -12.499 paragonite NaAl3Si3O12H2 P-T:All Wt.(g/mol) = 382.200 V(cc/mol) = 132.110 D(g/cc) = 2.893 Ref: H&P2011 4 1.000 13 3.000 8 3.000 7 -10.000 1 17.914 13.803 10.139 6.941 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.914 13.803 10.139 6.941 4.140 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.917 13.805 10.142 6.943 4.143 1.664 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.921 13.810 10.147 6.948 4.148 1.669 -0.557 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.928 13.818 10.155 6.957 4.156 1.678 -0.548 -2.579 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.940 13.831 10.168 6.970 4.170 1.692 -0.534 -2.564 -4.446 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.957 13.850 10.188 6.990 4.190 1.712 -0.512 -2.541 -4.421 -6.202 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.982 13.877 10.216 7.018 4.219 1.742 -0.481 -2.508 -4.386 -6.163 -7.893 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.015 13.915 10.254 7.057 4.258 1.782 -0.440 -2.464 -4.338 -6.109 -7.830 -9.554 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.059 13.964 10.304 7.108 4.309 1.835 -0.384 -2.405 -4.274 -6.038 -7.748 -9.455 -11.176 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.114 14.026 10.369 7.173 4.376 1.903 -0.313 -2.329 -4.192 -5.947 -7.642 -9.326 -11.025 -12.643 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.182 14.104 10.450 7.255 4.460 1.989 -0.223 -2.234 -4.089 -5.832 -7.509 -9.163 -10.828 -12.483 -13.617 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.233 14.163 10.511 7.318 4.523 2.054 -0.155 -2.161 -4.011 -5.746 -7.408 -9.041 -10.676 -12.323 -13.926 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.303 14.245 10.596 7.405 4.612 2.145 -0.060 -2.060 -3.902 -5.625 -7.268 -8.870 -10.461 -12.071 -13.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.368 14.323 10.679 7.489 4.697 2.234 0.033 -1.962 -3.796 -5.508 -7.133 -8.706 -10.254 -11.812 -13.579 3.118 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.430 14.398 10.758 7.570 4.781 2.320 0.122 -1.867 -3.693 -5.395 -7.004 -8.549 -10.055 -11.556 -13.247 -7.582 -2.834 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.488 14.470 10.834 7.649 4.861 2.403 0.209 -1.775 -3.594 -5.285 -6.878 -8.399 -9.866 -11.310 -12.902 -10.083 -8.314 -5.267 -0.866 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.543 14.539 10.908 7.725 4.939 2.483 0.294 -1.685 -3.497 -5.179 -6.758 -8.256 -9.688 -11.077 -12.565 -11.160 -10.322 -8.908 -6.733 -3.805 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.594 14.604 10.979 7.799 5.015 2.562 0.375 -1.598 -3.404 -5.076 -6.642 -8.119 -9.519 -10.860 -12.250 -11.730 -11.310 -10.575 -9.423 -7.779 -5.672 -3.314 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.641 14.667 11.048 7.870 5.088 2.638 0.455 -1.514 -3.313 -4.977 -6.530 -7.989 -9.362 -10.659 -11.961 -12.057 -11.866 -11.478 -10.836 -9.887 -8.599 -7.005 -5.222 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.686 14.727 11.113 7.938 5.159 2.711 0.532 -1.432 -3.225 -4.880 -6.422 -7.865 -9.214 -10.475 -11.701 -12.248 -12.198 -12.014 -11.660 -11.103 -10.313 -9.280 -8.031 -6.637 -5.196 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.727 14.785 11.177 8.005 5.228 2.783 0.607 -1.352 -3.139 -4.787 -6.318 -7.746 -9.075 -10.306 -11.472 -12.355 -12.400 -12.345 -12.171 -11.854 -11.372 -10.709 -9.866 -8.862 -7.743 -6.566 -5.390 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.765 14.840 11.238 8.069 5.295 2.852 0.680 -1.275 -3.056 -4.696 -6.218 -7.634 -8.946 -10.153 -11.271 -12.408 -12.518 -12.553 -12.498 -12.337 -12.056 -11.640 -11.081 -10.382 -9.559 -8.641 -7.663 -6.661 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.800 14.892 11.297 8.131 5.359 2.919 0.751 -1.200 -2.975 -4.608 -6.122 -7.526 -8.825 -10.014 -11.097 -12.423 -12.581 -12.679 -12.708 -12.655 -12.511 -12.263 -11.904 -11.431 -10.846 -10.160 -9.394 -8.568 -7.704 -6.821 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.833 14.942 11.353 8.191 5.422 2.985 0.819 -1.127 -2.896 -4.523 -6.028 -7.424 -8.711 -9.887 -10.948 -12.413 -12.606 -12.751 -12.840 -12.865 -12.817 -12.689 -12.474 -12.165 -11.762 -11.267 -10.688 -10.039 -9.332 -8.581 -7.798 99999.999 99999.999 99999.999 99999.999 99999.999 18.862 14.990 11.408 8.249 5.483 3.048 0.886 -1.056 -2.820 -4.440 -5.938 -7.325 -8.604 -9.771 -10.819 -12.383 -12.604 -12.784 -12.918 -13.000 -13.024 -12.983 -12.872 -12.686 -12.420 -12.075 -11.653 -11.160 -10.603 -9.991 -9.333 -8.635 -7.901 99999.999 99999.999 99999.999 18.889 15.035 11.460 8.306 5.542 3.110 0.951 -0.986 -2.746 -4.359 -5.851 -7.231 -8.503 -9.665 -10.707 -12.339 -12.581 -12.788 -12.957 -13.082 -13.160 -13.185 -13.152 -13.057 -12.897 -12.669 -12.373 -12.010 -11.586 -11.103 -10.569 -9.988 -9.364 -8.700 99999.999 99999.999 18.913 15.078 11.511 8.360 5.599 3.169 1.014 -0.919 -2.673 -4.281 -5.766 -7.139 -8.406 -9.564 -10.606 -12.284 -12.543 -12.772 -12.967 -13.126 -13.245 -13.320 -13.347 -13.323 -13.244 -13.107 -12.911 -12.656 -12.344 -11.975 -11.555 -11.085 -10.569 -10.010 -9.408 -8.764 18.934 15.118 11.559 8.412 5.654 3.227 1.075 -0.854 -2.603 -4.205 -5.683 -7.051 -8.313 -9.469 -10.512 -12.222 -12.494 -12.740 -12.956 -13.142 -13.293 -13.407 -13.480 -13.511 -13.495 -13.430 -13.314 -13.147 -12.927 -12.656 -12.335 -11.966 -11.551 -11.092 -10.590 -10.045 19.021 15.417 11.944 8.844 6.118 3.721 1.601 -0.290 -1.994 -3.544 -4.965 -6.276 -7.487 -8.605 -9.635 -11.438 -11.759 -12.067 -12.363 -12.645 -12.915 -13.172 -13.416 -13.647 -13.864 -14.067 -14.255 -14.429 -14.587 -14.730 -14.856 -14.965 -15.057 -15.131 -15.187 -15.225 18.910 15.547 12.178 9.135 6.449 4.084 1.995 0.138 -1.526 -3.031 -4.404 -5.664 -6.825 -7.899 -8.890 -10.654 -10.975 -11.286 -11.587 -11.880 -12.164 -12.439 -12.706 -12.966 -13.218 -13.463 -13.700 -13.931 -14.155 -14.372 -14.583 -14.787 -14.985 -15.176 -15.362 -15.541 18.641 15.544 12.292 9.315 6.673 4.343 2.287 0.462 -1.167 -2.633 -3.963 -5.178 -6.294 -7.323 -8.273 -9.969 -10.279 -10.580 -10.873 -11.158 -11.436 -11.706 -11.970 -12.228 -12.480 -12.726 -12.968 -13.204 -13.436 -13.664 -13.888 -14.108 -14.325 -14.539 -14.750 -14.959 18.247 15.433 12.308 9.404 6.811 4.519 2.495 0.703 -0.894 -2.326 -3.618 -4.792 -5.866 -6.854 -7.764 -9.386 -9.683 -9.971 -10.252 -10.525 -10.791 -11.051 -11.305 -11.553 -11.795 -12.033 -12.266 -12.495 -12.720 -12.942 -13.160 -13.376 -13.590 -13.801 -14.010 -14.218 17.749 15.232 12.243 9.417 6.877 4.626 2.636 0.875 -0.691 -2.090 -3.348 -4.487 -5.523 -6.472 -7.345 -8.896 -9.179 -9.454 -9.721 -9.981 -10.235 -10.482 -10.724 -10.960 -11.190 -11.417 -11.638 -11.856 -12.070 -12.281 -12.489 -12.695 -12.898 -13.099 -13.299 -13.497 17.165 14.957 12.109 9.366 6.882 4.674 2.720 0.990 -0.546 -1.915 -3.142 -4.248 -5.250 -6.164 -7.002 -8.484 -8.754 -9.016 -9.270 -9.518 -9.759 -9.994 -10.223 -10.447 -10.666 -10.880 -11.090 -11.296 -11.498 -11.697 -11.894 -12.087 -12.279 -12.469 -12.656 -12.843 16.508 14.619 11.917 9.261 6.836 4.673 2.755 1.057 -0.450 -1.790 -2.988 -4.064 -5.035 -5.917 -6.722 -8.140 -8.398 -8.647 -8.890 -9.125 -9.354 -9.577 -9.795 -10.007 -10.214 -10.417 -10.615 -10.809 -11.000 -11.188 -11.373 -11.555 -11.735 -11.914 -12.090 -12.265 99999.999 14.227 11.675 9.108 6.746 4.628 2.748 1.082 -0.395 -1.707 -2.878 -3.926 -4.868 -5.721 -6.496 -7.855 -8.101 -8.339 -8.570 -8.794 -9.012 -9.224 -9.430 -9.631 -9.827 -10.019 -10.207 -10.390 -10.571 -10.748 -10.922 -11.094 -11.263 -11.430 -11.596 -11.760 nepheline NaAlSiO4 P-T:All Wt.(g/mol) = 142.050 V(cc/mol) = 54.190 D(g/cc) = 2.621 Ref: H&P2011 4 1.000 13 1.000 8 1.000 7 -4.000 1 15.246 13.125 11.276 9.682 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.246 13.125 11.276 9.682 8.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.247 13.126 11.277 9.683 8.300 7.088 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.249 13.128 11.279 9.685 8.302 7.090 6.014 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.253 13.131 11.283 9.689 8.306 7.094 6.018 5.048 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.258 13.137 11.288 9.694 8.311 7.099 6.023 5.054 4.169 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.266 13.145 11.297 9.702 8.319 7.108 6.032 5.063 4.179 3.356 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.278 13.157 11.308 9.714 8.331 7.119 6.044 5.076 4.192 3.371 2.587 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.294 13.173 11.324 9.729 8.347 7.135 6.060 5.093 4.211 3.391 2.611 1.848 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.314 13.195 11.345 9.750 8.367 7.156 6.082 5.116 4.235 3.418 2.642 1.885 1.137 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.341 13.222 11.373 9.777 8.394 7.183 6.110 5.145 4.267 3.453 2.682 1.933 1.193 0.490 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.374 13.256 11.407 9.811 8.428 7.218 6.145 5.183 4.306 3.496 2.732 1.994 1.267 0.553 0.017 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.399 13.282 11.433 9.837 8.454 7.244 6.172 5.211 4.337 3.530 2.770 2.040 1.324 0.613 -0.080 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.433 13.319 11.469 9.873 8.490 7.280 6.210 5.250 4.379 3.576 2.823 2.104 1.404 0.708 -0.042 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.466 13.354 11.504 9.908 8.525 7.316 6.247 5.289 4.420 3.621 2.874 2.165 1.481 0.804 0.061 5.545 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.498 13.387 11.539 9.942 8.560 7.351 6.282 5.326 4.460 3.664 2.924 2.225 1.555 0.899 0.185 1.913 3.486 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.528 13.420 11.572 9.976 8.593 7.385 6.317 5.363 4.499 3.706 2.971 2.281 1.625 0.990 0.313 1.067 1.629 2.624 4.072 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.557 13.452 11.604 10.008 8.625 7.418 6.351 5.398 4.536 3.747 3.018 2.335 1.692 1.076 0.436 0.706 0.952 1.394 2.093 3.045 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.584 13.482 11.635 10.039 8.657 7.450 6.384 5.433 4.573 3.787 3.062 2.387 1.755 1.157 0.552 0.519 0.622 0.833 1.187 1.707 2.382 3.138 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.611 13.512 11.665 10.070 8.687 7.481 6.416 5.466 4.609 3.826 3.105 2.436 1.814 1.232 0.659 0.414 0.439 0.532 0.713 0.999 1.399 1.902 2.467 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.636 13.540 11.695 10.099 8.717 7.511 6.448 5.499 4.644 3.863 3.146 2.484 1.870 1.301 0.754 0.355 0.332 0.356 0.439 0.592 0.825 1.140 1.527 1.963 2.411 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.660 13.568 11.723 10.128 8.747 7.541 6.478 5.531 4.677 3.900 3.186 2.529 1.922 1.364 0.840 0.324 0.269 0.250 0.272 0.343 0.472 0.662 0.914 1.220 1.565 1.927 2.288 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.683 13.595 11.751 10.156 8.775 7.570 6.508 5.562 4.710 3.935 3.225 2.572 1.971 1.421 0.914 0.312 0.235 0.185 0.167 0.186 0.246 0.353 0.510 0.714 0.960 1.238 1.536 1.841 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.704 13.620 11.778 10.183 8.802 7.598 6.537 5.593 4.743 3.970 3.263 2.613 2.017 1.474 0.979 0.312 0.219 0.148 0.101 0.084 0.098 0.148 0.237 0.366 0.532 0.733 0.961 1.210 1.471 1.738 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.725 13.645 11.804 10.210 8.829 7.625 6.565 5.622 4.774 4.004 3.299 2.653 2.061 1.522 1.036 0.321 0.216 0.129 0.062 0.018 0.000 0.010 0.051 0.124 0.229 0.366 0.532 0.723 0.932 1.157 1.394 99999.999 99999.999 99999.999 99999.999 99999.999 15.744 13.669 11.829 10.236 8.856 7.652 6.593 5.651 4.805 4.036 3.334 2.691 2.102 1.566 1.085 0.337 0.222 0.124 0.042 -0.022 -0.064 -0.084 -0.078 -0.046 0.013 0.100 0.213 0.352 0.512 0.691 0.887 1.096 1.318 99999.999 99999.999 99999.999 15.763 13.692 11.854 10.261 8.881 7.678 6.620 5.679 4.835 4.068 3.368 2.727 2.141 1.608 1.128 0.357 0.235 0.127 0.034 -0.044 -0.104 -0.146 -0.167 -0.166 -0.142 -0.095 -0.023 0.071 0.188 0.324 0.478 0.649 0.835 1.036 99999.999 99999.999 15.781 13.714 11.877 10.285 8.906 7.704 6.646 5.707 4.864 4.099 3.402 2.763 2.178 1.646 1.167 0.380 0.254 0.138 0.036 -0.053 -0.128 -0.186 -0.227 -0.250 -0.253 -0.236 -0.199 -0.140 -0.061 0.037 0.154 0.288 0.438 0.604 0.784 0.980 15.797 13.736 11.900 10.309 8.930 7.729 6.672 5.734 4.892 4.130 3.434 2.797 2.214 1.683 1.204 0.407 0.275 0.154 0.045 -0.053 -0.138 -0.210 -0.267 -0.308 -0.333 -0.340 -0.329 -0.300 -0.252 -0.186 -0.103 -0.003 0.114 0.247 0.394 0.557 15.916 13.911 12.096 10.514 9.142 7.947 6.898 5.971 5.143 4.398 3.721 3.103 2.538 2.020 1.546 0.719 0.572 0.430 0.295 0.164 0.040 -0.079 -0.193 -0.301 -0.404 -0.501 -0.592 -0.677 -0.756 -0.829 -0.896 -0.956 -1.009 -1.056 -1.096 -1.129 15.962 14.025 12.237 10.669 9.306 8.118 7.078 6.160 5.344 4.612 3.952 3.351 2.802 2.299 1.838 1.026 0.879 0.737 0.600 0.467 0.338 0.213 0.092 -0.026 -0.139 -0.250 -0.357 -0.461 -0.561 -0.659 -0.754 -0.846 -0.934 -1.020 -1.104 -1.184 15.950 14.090 12.335 10.784 9.432 8.253 7.221 6.312 5.506 4.787 4.139 3.553 3.020 2.532 2.085 1.296 1.153 1.015 0.880 0.750 0.623 0.500 0.381 0.264 0.151 0.040 -0.068 -0.173 -0.276 -0.377 -0.476 -0.572 -0.667 -0.760 -0.852 -0.942 15.890 14.116 12.397 10.866 9.527 8.358 7.335 6.435 5.638 4.929 4.294 3.720 3.200 2.726 2.293 1.529 1.390 1.256 1.126 1.000 0.877 0.758 0.642 0.529 0.419 0.312 0.207 0.104 0.004 -0.094 -0.191 -0.286 -0.379 -0.471 -0.562 -0.651 15.793 14.110 12.431 10.922 9.597 8.438 7.424 6.533 5.745 5.046 4.421 3.859 3.351 2.889 2.468 1.728 1.595 1.465 1.340 1.218 1.099 0.985 0.873 0.764 0.658 0.555 0.454 0.355 0.259 0.164 0.071 -0.020 -0.110 -0.198 -0.285 -0.371 15.664 14.077 12.440 10.954 9.645 8.498 7.494 6.611 5.832 5.141 4.526 3.974 3.477 3.027 2.617 1.900 1.770 1.645 1.524 1.406 1.292 1.182 1.074 0.970 0.868 0.768 0.672 0.577 0.485 0.394 0.305 0.218 0.133 0.048 -0.035 -0.117 15.507 14.021 12.427 10.967 9.675 8.541 7.546 6.672 5.901 5.219 4.612 4.069 3.582 3.142 2.743 2.047 1.921 1.800 1.683 1.570 1.460 1.353 1.249 1.149 1.051 0.956 0.863 0.772 0.683 0.597 0.512 0.429 0.347 0.267 0.188 0.110 99999.999 13.945 12.397 10.964 9.689 8.567 7.583 6.718 5.956 5.282 4.683 4.149 3.670 3.239 2.850 2.173 2.051 1.934 1.821 1.711 1.605 1.502 1.402 1.305 1.211 1.119 1.030 0.943 0.858 0.775 0.694 0.614 0.536 0.459 0.384 0.310 nickel_oxide NiO P-T:All Wt.(g/mol) = 74.690 V(cc/mol) = 10.970 D(g/cc) = 6.809 Ref: H&P2011 3 1.000 26 1.000 2 -2.000 1 14.124 12.522 11.160 9.991 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.124 12.522 11.160 9.991 8.977 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.124 12.523 11.160 9.992 8.978 8.088 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.125 12.524 11.161 9.992 8.979 8.089 7.297 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.127 12.525 11.163 9.994 8.980 8.090 7.299 6.587 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.130 12.528 11.165 9.996 8.982 8.092 7.301 6.590 5.942 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.134 12.532 11.169 10.000 8.986 8.096 7.305 6.593 5.946 5.349 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.140 12.537 11.174 10.005 8.991 8.101 7.310 6.599 5.952 5.355 4.794 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.148 12.545 11.181 10.012 8.998 8.108 7.317 6.606 5.959 5.363 4.804 4.269 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.158 12.555 11.191 10.021 9.007 8.117 7.326 6.615 5.970 5.375 4.817 4.284 3.769 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.172 12.568 11.203 10.033 9.018 8.128 7.338 6.628 5.983 5.389 4.834 4.305 3.793 3.309 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.189 12.584 11.219 10.048 9.033 8.143 7.353 6.643 5.999 5.407 4.855 4.331 3.825 3.337 2.932 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.202 12.597 11.231 10.060 9.045 8.154 7.364 6.655 6.012 5.421 4.871 4.351 3.850 3.363 2.890 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.221 12.614 11.248 10.076 9.061 8.170 7.381 6.672 6.030 5.441 4.894 4.378 3.885 3.405 2.908 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.239 12.632 11.265 10.092 9.076 8.186 7.396 6.689 6.047 5.460 4.915 4.404 3.918 3.448 2.955 5.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.257 12.649 11.281 10.108 9.092 8.201 7.412 6.705 6.064 5.478 4.936 4.429 3.950 3.489 3.011 3.503 4.129 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.274 12.666 11.297 10.124 9.107 8.216 7.427 6.721 6.081 5.496 4.957 4.454 3.981 3.529 3.068 3.131 3.324 3.702 4.261 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.291 12.682 11.313 10.139 9.122 8.231 7.442 6.736 6.097 5.514 4.976 4.477 4.009 3.567 3.124 2.970 3.026 3.167 3.419 3.772 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.307 12.698 11.328 10.154 9.137 8.246 7.457 6.751 6.113 5.531 4.995 4.499 4.037 3.602 3.175 2.886 2.879 2.921 3.024 3.200 3.437 3.702 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.323 12.714 11.343 10.169 9.151 8.260 7.472 6.766 6.129 5.548 5.014 4.520 4.062 3.635 3.223 2.838 2.797 2.787 2.816 2.891 3.015 3.181 3.369 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.339 12.729 11.358 10.183 9.165 8.274 7.486 6.781 6.144 5.564 5.032 4.541 4.086 3.665 3.265 2.810 2.748 2.708 2.694 2.712 2.765 2.853 2.971 3.107 3.245 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.354 12.744 11.373 10.197 9.179 8.288 7.500 6.795 6.159 5.580 5.049 4.560 4.109 3.693 3.303 2.795 2.718 2.659 2.619 2.601 2.609 2.645 2.707 2.791 2.891 2.996 3.097 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.369 12.759 11.387 10.211 9.193 8.302 7.513 6.809 6.174 5.596 5.066 4.579 4.130 3.718 3.335 2.788 2.702 2.629 2.571 2.530 2.509 2.509 2.530 2.573 2.633 2.705 2.785 2.867 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.384 12.774 11.402 10.225 9.206 8.315 7.527 6.823 6.188 5.611 5.082 4.597 4.150 3.740 3.364 2.786 2.693 2.611 2.540 2.484 2.442 2.418 2.410 2.421 2.448 2.489 2.542 2.603 2.669 2.736 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.399 12.788 11.416 10.239 9.220 8.328 7.540 6.836 6.202 5.626 5.098 4.614 4.169 3.761 3.388 2.789 2.690 2.601 2.522 2.454 2.398 2.355 2.327 2.314 2.315 2.330 2.358 2.396 2.443 2.495 2.552 99999.999 99999.999 99999.999 99999.999 99999.999 14.413 12.802 11.429 10.252 9.233 8.341 7.553 6.850 6.216 5.640 5.114 4.630 4.187 3.780 3.409 2.795 2.692 2.597 2.511 2.434 2.368 2.313 2.269 2.238 2.220 2.214 2.220 2.237 2.264 2.298 2.340 2.387 2.440 99999.999 99999.999 99999.999 14.426 12.816 11.443 10.265 9.246 8.354 7.566 6.863 6.230 5.654 5.129 4.646 4.204 3.798 3.428 2.803 2.697 2.598 2.506 2.423 2.349 2.284 2.229 2.184 2.150 2.128 2.116 2.115 2.124 2.141 2.166 2.199 2.238 2.284 99999.999 99999.999 14.440 12.830 11.456 10.278 9.258 8.366 7.578 6.876 6.243 5.668 5.144 4.662 4.220 3.814 3.445 2.812 2.703 2.601 2.506 2.418 2.337 2.265 2.201 2.146 2.100 2.065 2.038 2.022 2.015 2.017 2.027 2.045 2.070 2.102 2.141 2.186 14.453 12.843 11.469 10.291 9.271 8.379 7.591 6.888 6.256 5.682 5.158 4.677 4.236 3.830 3.460 2.823 2.712 2.607 2.509 2.416 2.331 2.253 2.182 2.119 2.064 2.018 1.980 1.951 1.931 1.919 1.916 1.920 1.931 1.950 1.976 2.008 14.571 12.966 11.590 10.409 9.386 8.493 7.705 7.005 6.376 5.807 5.290 4.815 4.380 3.978 3.609 2.955 2.836 2.722 2.611 2.504 2.400 2.300 2.204 2.111 2.022 1.936 1.853 1.774 1.699 1.627 1.558 1.493 1.432 1.375 1.321 1.271 14.667 13.071 11.695 10.513 9.488 8.594 7.806 7.106 6.480 5.915 5.402 4.933 4.503 4.107 3.741 3.090 2.971 2.856 2.744 2.635 2.529 2.426 2.325 2.228 2.133 2.040 1.950 1.862 1.777 1.693 1.612 1.533 1.456 1.381 1.307 1.236 14.745 13.162 11.788 10.605 9.579 8.684 7.896 7.196 6.572 6.009 5.500 5.035 4.610 4.218 3.857 3.213 3.096 2.981 2.870 2.761 2.656 2.553 2.453 2.355 2.260 2.167 2.076 1.987 1.900 1.815 1.731 1.649 1.569 1.490 1.413 1.337 14.811 13.242 11.872 10.688 9.662 8.766 7.977 7.278 6.654 6.094 5.587 5.126 4.704 4.317 3.960 3.324 3.208 3.094 2.984 2.877 2.773 2.672 2.573 2.476 2.381 2.289 2.199 2.111 2.025 1.940 1.857 1.775 1.695 1.617 1.539 1.463 14.865 13.313 11.947 10.765 9.738 8.841 8.051 7.352 6.729 6.170 5.665 5.207 4.789 4.405 4.052 3.423 3.308 3.196 3.088 2.982 2.879 2.779 2.681 2.586 2.493 2.402 2.313 2.226 2.141 2.058 1.976 1.896 1.817 1.739 1.663 1.588 14.910 13.377 12.016 10.834 9.808 8.910 8.120 7.421 6.798 6.240 5.736 5.280 4.865 4.484 4.134 3.512 3.399 3.288 3.181 3.077 2.975 2.876 2.780 2.686 2.594 2.504 2.417 2.331 2.247 2.165 2.085 2.006 1.929 1.853 1.778 1.704 14.948 13.434 12.079 10.899 9.873 8.975 8.184 7.485 6.862 6.305 5.802 5.348 4.934 4.556 4.209 3.593 3.480 3.371 3.265 3.162 3.062 2.964 2.869 2.776 2.686 2.597 2.511 2.427 2.344 2.263 2.184 2.107 2.031 1.956 1.882 1.810 99999.999 13.487 12.138 10.960 9.933 9.035 8.245 7.545 6.922 6.365 5.863 5.410 4.998 4.622 4.277 3.666 3.555 3.447 3.342 3.240 3.141 3.044 2.950 2.858 2.769 2.682 2.597 2.513 2.432 2.352 2.275 2.198 2.123 2.050 1.977 1.906 osumilite(1) KMg2Al5Si10O30 P-T:All Wt.(g/mol) = 983.450 V(cc/mol) = 378.930 D(g/cc) = 2.595 Ref: H&P2011 6 1.000 12 2.000 10 5.000 8 10.000 7 -10.000 2 -20.000 1 56.326 46.046 36.764 28.611 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.326 46.046 36.764 28.611 21.452 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.332 46.053 36.771 28.618 21.459 15.123 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.343 46.066 36.784 28.631 21.473 15.136 9.460 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.363 46.088 36.807 28.654 21.495 15.160 9.484 4.330 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.393 46.122 36.842 28.689 21.531 15.196 9.522 4.370 -0.378 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.437 46.173 36.895 28.743 21.585 15.251 9.579 4.429 -0.314 -4.767 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.501 46.245 36.970 28.818 21.662 15.329 9.660 4.514 -0.223 -4.667 -8.946 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.587 46.344 37.072 28.922 21.767 15.436 9.770 4.630 -0.099 -4.532 -8.792 -13.003 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.699 46.474 37.207 29.059 21.905 15.577 9.916 4.783 0.064 -4.353 -8.587 -12.761 -16.934 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.841 46.640 37.380 29.234 22.083 15.759 10.104 4.980 0.274 -4.123 -8.326 -12.449 -16.570 -20.544 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.016 46.848 37.597 29.455 22.307 15.988 10.340 5.229 0.539 -3.834 -7.996 -12.057 -16.099 -20.120 -23.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.146 47.003 37.761 29.622 22.477 16.161 10.520 5.417 0.740 -3.614 -7.748 -11.761 -15.738 -19.729 -23.696 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.324 47.220 37.989 29.856 22.714 16.404 10.772 5.681 1.021 -3.308 -7.401 -11.348 -15.231 -19.131 -23.391 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.491 47.427 38.209 30.082 22.944 16.640 11.016 5.937 1.294 -3.011 -7.066 -10.952 -14.741 -18.525 -22.732 7.516 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.648 47.625 38.422 30.300 23.167 16.869 11.253 6.186 1.558 -2.724 -6.743 -10.571 -14.272 -17.933 -21.965 -12.575 -3.905 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.794 47.815 38.626 30.511 23.383 17.090 11.483 6.427 1.815 -2.446 -6.431 -10.206 -13.826 -17.364 -21.182 -17.172 -14.116 -8.659 -0.697 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.932 47.996 38.823 30.715 23.592 17.306 11.706 6.662 2.064 -2.176 -6.130 -9.857 -13.402 -16.825 -20.425 -19.083 -17.777 -15.387 -11.573 -6.366 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.060 48.170 39.013 30.913 23.795 17.514 11.923 6.889 2.306 -1.914 -5.840 -9.523 -13.000 -16.320 -19.714 -20.041 -19.519 -18.401 -16.502 -13.683 -10.010 -5.899 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.179 48.336 39.196 31.103 23.992 17.717 12.133 7.111 2.541 -1.660 -5.560 -9.203 -12.622 -15.850 -19.060 -20.546 -20.451 -19.982 -19.036 -17.512 -15.357 -12.639 -9.585 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.289 48.494 39.372 31.288 24.182 17.914 12.338 7.326 2.770 -1.414 -5.289 -8.897 -12.265 -15.415 -18.469 -20.800 -20.966 -20.875 -20.466 -19.673 -18.442 -16.760 -14.681 -12.340 -9.930 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.390 48.645 39.541 31.466 24.367 18.105 12.537 7.535 2.992 -1.175 -5.027 -8.605 -11.928 -15.014 -17.939 -20.902 -21.240 -21.390 -21.312 -20.964 -20.306 -19.310 -17.976 -16.347 -14.509 -12.573 -10.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.484 48.789 39.704 31.639 24.546 18.290 12.730 7.738 3.208 -0.943 -4.775 -8.325 -11.612 -14.646 -17.470 -20.905 -21.363 -21.675 -21.817 -21.758 -21.472 -20.931 -20.123 -19.054 -17.755 -16.281 -14.701 -13.080 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.569 48.926 39.861 31.805 24.719 18.470 12.917 7.935 3.418 -0.718 -4.530 -8.056 -11.314 -14.307 -17.057 -20.841 -21.385 -21.813 -22.107 -22.247 -22.212 -21.983 -21.544 -20.888 -20.025 -18.974 -17.773 -16.464 -15.086 -13.670 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.647 49.057 40.012 31.966 24.887 18.645 13.100 8.127 3.622 -0.498 -4.293 -7.799 -11.032 -13.995 -16.694 -20.731 -21.339 -21.851 -22.255 -22.536 -22.680 -22.670 -22.494 -22.141 -21.611 -20.909 -20.050 -19.058 -17.958 -16.777 -15.531 99999.999 99999.999 99999.999 99999.999 99999.999 58.717 49.181 40.156 32.122 25.050 18.814 13.277 8.314 3.821 -0.286 -4.064 -7.551 -10.764 -13.706 -16.375 -20.588 -21.244 -21.819 -22.305 -22.690 -22.963 -23.113 -23.128 -23.000 -22.722 -22.294 -21.721 -21.012 -20.184 -19.251 -18.229 -17.130 -15.958 99999.999 99999.999 99999.999 58.780 49.298 40.296 32.272 25.208 18.979 13.449 8.496 4.014 -0.078 -3.842 -7.313 -10.510 -13.437 -16.090 -20.421 -21.115 -21.738 -22.285 -22.748 -23.119 -23.387 -23.546 -23.585 -23.500 -23.286 -22.942 -22.473 -21.884 -21.186 -20.388 -19.499 -18.525 -17.470 99999.999 99999.999 58.835 49.410 40.429 32.417 25.360 19.138 13.617 8.673 4.203 0.123 -3.626 -7.082 -10.265 -13.182 -15.829 -20.237 -20.960 -21.621 -22.215 -22.738 -23.183 -23.542 -23.808 -23.976 -24.038 -23.991 -23.830 -23.557 -23.173 -22.682 -22.090 -21.402 -20.625 -19.761 -18.813 -17.779 58.884 49.516 40.558 32.557 25.508 19.293 13.779 8.845 4.386 0.319 -3.415 -6.858 -10.029 -12.938 -15.584 -20.042 -20.787 -21.477 -22.109 -22.678 -23.179 -23.608 -23.959 -24.225 -24.402 -24.486 -24.471 -24.357 -24.142 -23.829 -23.418 -22.914 -22.320 -21.639 -20.873 -20.022 59.021 50.275 41.573 33.709 26.751 20.613 15.177 10.330 5.974 2.026 -1.581 -4.892 -7.942 -10.751 -13.337 -17.891 -18.708 -19.497 -20.256 -20.986 -21.688 -22.362 -23.007 -23.624 -24.211 -24.768 -25.296 -25.792 -26.257 -26.689 -27.087 -27.450 -27.778 -28.069 -28.324 -28.541 58.625 50.577 42.176 34.478 27.630 21.579 16.224 11.461 7.197 3.351 -0.144 -3.339 -6.273 -8.974 -11.465 -15.887 -16.691 -17.471 -18.228 -18.963 -19.677 -20.370 -21.044 -21.699 -22.336 -22.955 -23.558 -24.144 -24.714 -25.268 -25.807 -26.331 -26.840 -27.334 -27.814 -28.280 57.803 50.513 42.449 34.939 28.218 22.265 16.994 12.314 8.135 4.381 0.985 -2.106 -4.934 -7.531 -9.923 -14.171 -14.945 -15.697 -16.428 -17.139 -17.830 -18.503 -19.159 -19.800 -20.424 -21.035 -21.632 -22.217 -22.789 -23.351 -23.902 -24.443 -24.975 -25.498 -26.014 -26.522 56.637 50.150 42.450 35.150 28.568 22.721 17.540 12.942 8.845 5.176 1.869 -1.127 -3.859 -6.359 -8.656 -12.727 -13.468 -14.187 -14.886 -15.566 -16.227 -16.871 -17.499 -18.112 -18.710 -19.295 -19.867 -20.428 -20.978 -21.518 -22.050 -22.572 -23.088 -23.596 -24.098 -24.594 55.186 49.538 42.225 35.149 28.720 22.986 17.899 13.385 9.368 5.779 2.555 -0.356 -2.999 -5.409 -7.617 -11.517 -12.226 -12.913 -13.580 -14.228 -14.858 -15.471 -16.069 -16.651 -17.220 -17.775 -18.318 -18.850 -19.372 -19.884 -20.387 -20.883 -21.371 -21.852 -22.328 -22.798 53.497 48.717 41.808 34.971 28.702 23.089 18.100 13.672 9.734 6.222 3.076 0.244 -2.317 -4.645 -6.770 -10.509 -11.186 -11.842 -12.478 -13.096 -13.696 -14.279 -14.847 -15.400 -15.939 -16.465 -16.979 -17.483 -17.975 -18.459 -18.933 -19.400 -19.859 -20.312 -20.758 -21.200 51.605 47.718 41.228 34.638 28.539 23.053 18.166 13.825 9.967 6.530 3.458 0.701 -1.785 -4.036 -6.084 -9.672 -10.319 -10.946 -11.554 -12.143 -12.714 -13.269 -13.809 -14.334 -14.845 -15.343 -15.830 -16.305 -16.771 -17.227 -17.674 -18.113 -18.544 -18.969 -19.388 -19.802 99999.999 46.565 40.505 34.173 28.250 22.896 18.115 13.864 10.086 6.723 3.722 1.035 -1.380 -3.560 -5.536 -8.982 -9.602 -10.202 -10.782 -11.344 -11.888 -12.417 -12.930 -13.429 -13.914 -14.387 -14.848 -15.297 -15.737 -16.167 -16.589 -17.003 -17.409 -17.808 -18.202 -18.590 osumilite(2) KMg3Al3Si11O30 P-T:All Wt.(g/mol) = 981.880 V(cc/mol) = 384.400 D(g/cc) = 2.554 Ref: H&P2011 6 1.000 12 3.000 10 3.000 8 11.000 7 -14.000 2 -16.000 1 46.513 38.971 32.001 25.842 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.513 38.971 32.001 25.842 20.434 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.518 38.977 32.007 25.848 20.441 15.667 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.527 38.988 32.019 25.860 20.453 15.679 11.418 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.542 39.007 32.038 25.879 20.472 15.699 11.439 7.584 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.567 39.036 32.069 25.911 20.504 15.732 11.472 7.619 4.079 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.604 39.080 32.114 25.957 20.551 15.780 11.522 7.671 4.135 0.820 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.655 39.141 32.179 26.023 20.619 15.849 11.593 7.746 4.214 0.906 -2.282 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.725 39.225 32.268 26.114 20.710 15.942 11.690 7.847 4.323 1.025 -2.147 -5.297 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.816 39.335 32.384 26.232 20.831 16.066 11.818 7.982 4.466 1.181 -1.970 -5.088 -8.236 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.930 39.476 32.533 26.385 20.986 16.225 11.982 8.154 4.649 1.381 -1.743 -4.819 -7.919 -10.973 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.069 39.650 32.718 26.576 21.181 16.424 12.189 8.371 4.880 1.633 -1.458 -4.481 -7.513 -10.577 -13.114 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.171 39.780 32.858 26.719 21.328 16.575 12.345 8.535 5.055 1.823 -1.243 -4.226 -7.202 -10.230 -13.348 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.308 39.959 33.052 26.920 21.533 16.786 12.564 8.765 5.299 2.089 -0.943 -3.872 -6.769 -9.712 -13.000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.435 40.129 33.237 27.112 21.731 16.990 12.776 8.987 5.536 2.346 -0.654 -3.532 -6.352 -9.194 -12.410 8.996 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.552 40.291 33.415 27.298 21.922 17.186 12.980 9.202 5.765 2.594 -0.376 -3.207 -5.953 -8.691 -11.754 -5.182 0.901 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.659 40.444 33.585 27.476 22.106 17.377 13.178 9.410 5.986 2.835 -0.108 -2.895 -5.574 -8.210 -11.094 -8.358 -6.248 -2.452 3.057 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.757 40.589 33.747 27.648 22.284 17.561 13.370 9.612 6.201 3.067 0.151 -2.596 -5.213 -7.756 -10.460 -9.625 -8.752 -7.118 -4.489 -0.911 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.845 40.726 33.903 27.812 22.455 17.738 13.555 9.807 6.409 3.292 0.400 -2.310 -4.873 -7.330 -9.867 -10.220 -9.898 -9.159 -7.874 -5.949 -3.447 -0.678 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.925 40.855 34.052 27.971 22.620 17.910 13.735 9.996 6.611 3.510 0.640 -2.037 -4.550 -6.933 -9.322 -10.498 -10.475 -10.189 -9.571 -8.551 -7.096 -5.261 -3.217 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.996 40.977 34.194 28.123 22.780 18.076 13.908 10.179 6.806 3.720 0.872 -1.776 -4.247 -6.564 -8.826 -10.603 -10.760 -10.738 -10.494 -9.983 -9.170 -8.046 -6.656 -5.100 -3.518 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.058 41.092 34.329 28.269 22.933 18.236 14.077 10.357 6.995 3.924 1.095 -1.526 -3.960 -6.224 -8.381 -10.603 -10.878 -11.022 -11.008 -10.806 -10.390 -9.740 -8.860 -7.782 -6.569 -5.302 -4.059 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.113 41.200 34.458 28.410 23.081 18.391 14.239 10.529 7.179 4.122 1.311 -1.287 -3.690 -5.909 -7.985 -10.537 -10.893 -11.148 -11.285 -11.284 -11.124 -10.788 -10.269 -9.573 -8.721 -7.756 -6.725 -5.675 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.159 41.301 34.581 28.544 23.224 18.541 14.397 10.696 7.357 4.314 1.519 -1.058 -3.435 -5.619 -7.632 -10.426 -10.840 -11.174 -11.415 -11.549 -11.562 -11.441 -11.176 -10.762 -10.206 -9.524 -8.743 -7.891 -6.997 -6.081 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.198 41.396 34.699 28.673 23.361 18.685 14.549 10.857 7.529 4.499 1.720 -0.838 -3.194 -5.351 -7.321 -10.286 -10.742 -11.132 -11.447 -11.677 -11.813 -11.842 -11.756 -11.550 -11.221 -10.775 -10.223 -9.581 -8.867 -8.099 -7.287 99999.999 99999.999 99999.999 99999.999 99999.999 48.229 41.484 34.810 28.797 23.493 18.825 14.696 11.014 7.697 4.680 1.915 -0.628 -2.965 -5.103 -7.043 -10.126 -10.613 -11.045 -11.414 -11.714 -11.937 -12.075 -12.120 -12.066 -11.910 -11.650 -11.290 -10.839 -10.305 -9.700 -9.034 -8.313 -7.541 99999.999 99999.999 99999.999 48.253 41.566 34.916 28.915 23.620 18.960 14.839 11.166 7.859 4.854 2.103 -0.424 -2.747 -4.870 -6.794 -9.951 -10.462 -10.925 -11.335 -11.687 -11.975 -12.193 -12.335 -12.395 -12.369 -12.255 -12.051 -11.760 -11.388 -10.940 -10.422 -9.840 -9.199 -8.498 99999.999 99999.999 48.270 41.642 35.016 29.029 23.743 19.090 14.977 11.313 8.016 5.024 2.286 -0.228 -2.537 -4.649 -6.565 -9.766 -10.295 -10.782 -11.223 -11.614 -11.951 -12.230 -12.445 -12.591 -12.665 -12.664 -12.584 -12.426 -12.192 -11.883 -11.503 -11.057 -10.546 -9.974 -9.339 -8.641 48.280 41.711 35.111 29.137 23.860 19.215 15.111 11.455 8.169 5.188 2.463 -0.038 -2.335 -4.438 -6.349 -9.576 -10.118 -10.623 -11.087 -11.509 -11.883 -12.208 -12.479 -12.692 -12.843 -12.929 -12.948 -12.898 -12.778 -12.589 -12.332 -12.010 -11.623 -11.173 -10.662 -10.088 48.036 42.117 35.796 29.977 24.804 20.245 16.223 12.655 9.467 6.594 3.986 1.605 -0.577 -2.577 -4.411 -7.626 -8.202 -8.758 -9.292 -9.807 -10.302 -10.777 -11.232 -11.667 -12.083 -12.478 -12.852 -13.205 -13.535 -13.843 -14.128 -14.388 -14.623 -14.833 -15.016 -15.173 47.264 42.070 36.072 30.438 25.391 20.930 16.996 13.514 10.416 7.641 5.137 2.863 0.789 -1.108 -2.847 -5.909 -6.463 -7.000 -7.519 -8.023 -8.512 -8.986 -9.447 -9.894 -10.329 -10.751 -11.162 -11.561 -11.949 -12.327 -12.694 -13.051 -13.397 -13.734 -14.061 -14.378 46.071 41.659 36.021 30.596 25.691 21.340 17.499 14.105 11.094 8.409 5.999 3.823 1.848 0.048 -1.596 -4.486 -5.008 -5.514 -6.005 -6.480 -6.942 -7.391 -7.828 -8.253 -8.668 -9.072 -9.467 -9.853 -10.231 -10.602 -10.965 -11.321 -11.672 -12.016 -12.355 -12.690 44.536 40.951 35.700 30.504 25.755 21.523 17.782 14.477 11.552 8.953 6.631 4.545 2.661 0.953 -0.603 -3.322 -3.812 -4.286 -4.745 -5.190 -5.621 -6.040 -6.448 -6.844 -7.230 -7.607 -7.975 -8.334 -8.687 -9.032 -9.372 -9.705 -10.034 -10.357 -10.677 -10.993 42.718 39.994 35.154 30.202 25.622 21.518 17.881 14.669 11.830 9.313 7.074 5.072 3.274 1.650 0.178 -2.379 -2.838 -3.281 -3.709 -4.123 -4.525 -4.914 -5.291 -5.658 -6.015 -6.363 -6.702 -7.033 -7.357 -7.674 -7.985 -8.291 -8.592 -8.889 -9.181 -9.471 40.661 38.828 34.416 29.723 25.321 21.352 17.825 14.708 11.955 9.520 7.360 5.438 3.719 2.175 0.782 -1.623 -2.052 -2.465 -2.864 -3.249 -3.622 -3.982 -4.332 -4.670 -4.999 -5.319 -5.630 -5.933 -6.230 -6.519 -6.803 -7.081 -7.355 -7.624 -7.889 -8.150 38.401 37.483 33.514 29.090 24.876 21.048 17.636 14.616 11.950 9.596 7.513 5.666 4.023 2.554 1.235 -1.025 -1.426 -1.811 -2.183 -2.541 -2.886 -3.220 -3.542 -3.855 -4.157 -4.450 -4.735 -5.013 -5.283 -5.547 -5.804 -6.057 -6.304 -6.547 -6.786 -7.022 99999.999 35.983 32.469 28.324 24.304 20.624 17.330 14.410 11.832 9.559 7.552 5.778 4.206 2.808 1.560 -0.564 -0.938 -1.297 -1.643 -1.975 -2.295 -2.603 -2.901 -3.188 -3.465 -3.734 -3.995 -4.248 -4.494 -4.734 -4.967 -5.196 -5.419 -5.639 -5.854 -6.066 osumilite-Fe KFe2Al5Si10O30 P-T:All Wt.(g/mol) = 1046.540 V(cc/mol) = 384.500 D(g/cc) = 2.722 Ref: H&P2011 6 1.000 12 2.000 11 5.000 8 10.000 7 -10.000 2 -20.000 1 45.628 36.424 28.039 20.639 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.628 36.424 28.039 20.639 14.120 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.635 36.431 28.046 20.646 14.128 8.340 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.646 36.444 28.059 20.660 14.141 8.354 3.152 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.666 36.466 28.082 20.683 14.164 8.377 3.176 -1.565 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.696 36.501 28.118 20.719 14.201 8.415 3.215 -1.524 -5.909 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.742 36.554 28.172 20.773 14.256 8.471 3.272 -1.464 -5.844 -9.977 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.807 36.628 28.249 20.851 14.334 8.550 3.354 -1.378 -5.753 -9.877 -13.871 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.895 36.729 28.353 20.956 14.441 8.659 3.466 -1.261 -5.628 -9.740 -13.715 -17.671 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.011 36.862 28.491 21.096 14.582 8.802 3.614 -1.105 -5.463 -9.560 -13.510 -17.428 -21.374 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.157 37.032 28.668 21.275 14.763 8.987 3.805 -0.906 -5.250 -9.328 -13.246 -17.116 -21.010 -24.787 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.337 37.245 28.890 21.501 14.991 9.220 4.046 -0.654 -4.982 -9.036 -12.915 -16.723 -20.538 -24.359 -27.322 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.471 37.405 29.058 21.672 15.165 9.397 4.228 -0.463 -4.779 -8.815 -12.665 -16.425 -20.176 -23.966 -27.764 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.654 37.627 29.292 21.910 15.407 9.644 4.484 -0.195 -4.495 -8.506 -12.316 -16.011 -19.668 -23.367 -27.447 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.827 37.840 29.517 22.141 15.642 9.884 4.732 0.064 -4.219 -8.206 -11.979 -15.613 -19.178 -22.761 -26.784 2.975 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.989 38.044 29.735 22.365 15.870 10.117 4.973 0.317 -3.951 -7.916 -11.654 -15.231 -18.709 -22.168 -26.018 -16.644 -8.146 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.141 38.239 29.945 22.581 16.091 10.344 5.207 0.562 -3.691 -7.635 -11.340 -14.865 -18.261 -21.600 -25.236 -21.126 -18.112 -12.757 -4.968 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.284 38.426 30.147 22.791 16.305 10.563 5.434 0.800 -3.439 -7.362 -11.036 -14.514 -17.836 -21.061 -24.481 -22.982 -21.678 -19.318 -15.569 -10.469 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.417 38.605 30.343 22.993 16.512 10.776 5.655 1.031 -3.194 -7.098 -10.744 -14.178 -17.434 -20.557 -23.772 -23.907 -23.369 -22.251 -20.372 -17.598 -13.996 -9.975 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.541 38.777 30.531 23.189 16.714 10.983 5.870 1.256 -2.955 -6.841 -10.461 -13.856 -17.054 -20.086 -23.120 -24.390 -24.268 -23.784 -22.835 -21.324 -19.201 -16.532 -13.541 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.657 38.940 30.712 23.379 16.909 11.184 6.078 1.475 -2.723 -6.592 -10.188 -13.548 -16.696 -19.651 -22.530 -24.627 -24.761 -24.645 -24.221 -23.423 -22.201 -20.541 -18.496 -16.201 -13.843 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.764 39.097 30.887 23.562 17.098 11.380 6.281 1.687 -2.498 -6.350 -9.924 -13.254 -16.358 -19.249 -22.001 -24.716 -25.018 -25.137 -25.036 -24.673 -24.009 -23.017 -21.698 -20.094 -18.289 -16.392 -14.511 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.862 39.246 31.055 23.739 17.282 11.569 6.478 1.894 -2.279 -6.115 -9.669 -12.972 -16.040 -18.879 -21.532 -24.709 -25.127 -25.405 -25.518 -25.438 -25.136 -24.588 -23.782 -22.722 -21.441 -19.991 -18.441 -16.853 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.953 39.389 31.217 23.911 17.460 11.754 6.670 2.095 -2.066 -5.887 -9.422 -12.701 -15.740 -18.539 -21.118 -24.637 -25.139 -25.530 -25.791 -25.905 -25.849 -25.604 -25.157 -24.500 -23.642 -22.604 -21.421 -20.134 -18.783 -17.396 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.036 39.525 31.373 24.077 17.632 11.932 6.856 2.291 -1.858 -5.665 -9.182 -12.442 -15.456 -18.226 -20.754 -24.519 -25.084 -25.557 -25.926 -26.177 -26.294 -26.264 -26.073 -25.712 -25.178 -24.478 -23.628 -22.648 -21.567 -20.406 -19.184 99999.999 99999.999 99999.999 99999.999 99999.999 48.111 39.654 31.523 24.237 17.800 12.106 7.037 2.481 -1.656 -5.449 -8.951 -12.192 -15.187 -17.935 -20.433 -24.370 -24.982 -25.516 -25.965 -26.316 -26.561 -26.686 -26.682 -26.539 -26.251 -25.818 -25.245 -24.542 -23.722 -22.803 -21.798 -20.718 -19.569 99999.999 99999.999 99999.999 48.179 39.777 31.668 24.392 17.962 12.275 7.213 2.667 -1.459 -5.239 -8.726 -11.951 -14.930 -17.664 -20.145 -24.199 -24.846 -25.428 -25.936 -26.364 -26.703 -26.944 -27.079 -27.099 -26.999 -26.774 -26.425 -25.954 -25.368 -24.676 -23.888 -23.012 -22.055 -21.019 99999.999 99999.999 48.239 39.894 31.807 24.542 18.119 12.439 7.385 2.847 -1.268 -5.035 -8.507 -11.718 -14.683 -17.407 -19.883 -24.011 -24.686 -25.304 -25.858 -26.344 -26.755 -27.084 -27.325 -27.470 -27.514 -27.452 -27.280 -27.000 -26.613 -26.123 -25.535 -24.855 -24.088 -23.238 -22.305 -21.290 48.293 40.005 31.940 24.687 18.272 12.598 7.551 3.023 -1.081 -4.836 -8.294 -11.491 -14.445 -17.160 -19.635 -23.811 -24.508 -25.154 -25.745 -26.276 -26.743 -27.140 -27.462 -27.703 -27.859 -27.924 -27.895 -27.769 -27.547 -27.230 -26.819 -26.317 -25.728 -25.055 -24.299 -23.462 48.480 40.816 33.005 25.886 19.559 13.959 8.987 4.544 0.539 -3.100 -6.433 -9.502 -12.336 -14.953 -17.368 -21.632 -22.400 -23.141 -23.854 -24.542 -25.203 -25.837 -26.445 -27.027 -27.581 -28.107 -28.605 -29.074 -29.513 -29.921 -30.296 -30.639 -30.948 -31.222 -31.461 -31.664 48.130 41.168 33.657 26.701 20.481 14.966 10.072 5.709 1.794 -1.746 -4.970 -7.925 -10.646 -13.156 -15.477 -19.610 -20.364 -21.096 -21.807 -22.498 -23.169 -23.822 -24.458 -25.076 -25.677 -26.263 -26.833 -27.388 -27.929 -28.455 -28.967 -29.465 -29.950 -30.421 -30.879 -31.325 47.354 41.152 33.976 27.207 21.111 15.691 10.879 6.596 2.764 -0.686 -3.814 -6.668 -9.284 -11.693 -13.916 -17.879 -18.603 -19.307 -19.991 -20.658 -21.307 -21.940 -22.557 -23.160 -23.749 -24.326 -24.890 -25.443 -25.985 -26.518 -27.041 -27.555 -28.061 -28.560 -29.052 -29.537 46.232 40.835 34.023 27.461 21.503 16.186 11.461 7.258 3.506 0.138 -2.903 -5.664 -8.186 -10.500 -12.631 -16.419 -17.110 -17.782 -18.435 -19.071 -19.691 -20.294 -20.884 -21.459 -22.022 -22.572 -23.112 -23.641 -24.161 -24.673 -25.176 -25.672 -26.161 -26.644 -27.123 -27.596 44.824 40.269 33.843 27.504 21.694 16.489 11.856 7.735 4.060 0.770 -2.190 -4.868 -7.303 -9.530 -11.573 -15.193 -15.852 -16.493 -17.115 -17.719 -18.308 -18.881 -19.441 -19.986 -20.520 -21.041 -21.552 -22.053 -22.544 -23.028 -23.503 -23.972 -24.434 -24.891 -25.343 -25.790 43.177 39.493 33.470 27.367 21.717 16.630 12.092 8.055 4.457 1.242 -1.642 -4.242 -6.598 -8.744 -10.706 -14.168 -14.797 -15.406 -15.998 -16.573 -17.132 -17.676 -18.206 -18.723 -19.227 -19.720 -20.202 -20.674 -21.137 -21.592 -22.039 -22.479 -22.913 -23.342 -23.765 -24.184 41.326 38.538 32.933 27.076 21.593 16.631 12.193 8.241 4.721 1.579 -1.233 -3.761 -6.043 -8.113 -10.000 -13.314 -13.914 -14.495 -15.058 -15.605 -16.136 -16.652 -17.154 -17.644 -18.121 -18.586 -19.041 -19.486 -19.922 -20.350 -20.770 -21.183 -21.590 -21.991 -22.387 -22.778 99999.999 37.429 32.253 26.652 21.343 16.510 12.177 8.312 4.870 1.800 -0.943 -3.402 -5.615 -7.615 -9.432 -12.608 -13.180 -13.734 -14.271 -14.791 -15.296 -15.786 -16.262 -16.726 -17.177 -17.617 -18.047 -18.467 -18.878 -19.280 -19.675 -20.063 -20.445 -20.821 -21.192 -21.558 pargasite NaCa2Mg4Al3Si6O24H2 P-T:All Wt.(g/mol) = 835.860 V(cc/mol) = 271.900 D(g/cc) = 3.074 Ref: H&P2011 6 1.000 13 2.000 9 4.000 10 3.000 8 6.000 7 -22.000 1 109.669 95.972 84.073 73.810 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 109.669 95.972 84.073 73.810 64.902 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 109.674 95.977 84.078 73.815 64.907 57.095 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 109.683 95.987 84.088 73.824 64.917 57.104 50.167 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 109.698 96.003 84.104 73.841 64.933 57.121 50.184 43.943 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 109.721 96.028 84.129 73.866 64.959 57.148 50.212 43.972 38.282 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 109.757 96.066 84.167 73.904 64.998 57.187 50.254 44.017 38.330 33.055 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 109.807 96.119 84.222 73.959 65.053 57.244 50.313 44.080 38.399 33.132 28.136 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 109.875 96.192 84.295 74.033 65.128 57.321 50.393 44.166 38.493 33.238 28.259 23.420 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 109.964 96.288 84.393 74.131 65.227 57.423 50.500 44.279 38.616 33.376 28.422 23.620 18.892 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.076 96.410 84.517 74.256 65.354 57.553 50.637 44.425 38.775 33.554 28.631 23.877 19.201 14.720 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.215 96.563 84.673 74.414 65.514 57.718 50.809 44.609 38.974 33.777 28.893 24.200 19.602 15.081 11.439 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.319 96.678 84.791 74.533 65.635 57.842 50.939 44.748 39.126 33.946 29.090 24.443 19.909 15.421 10.977 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.460 96.837 84.955 74.699 65.804 58.017 51.122 44.943 39.337 34.181 29.365 24.781 20.339 15.942 11.233 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.594 96.989 85.113 74.860 65.968 58.185 51.298 45.131 39.541 34.409 29.629 25.105 20.754 16.471 11.824 39.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.719 97.135 85.265 75.015 66.126 58.349 51.470 45.313 39.739 34.628 29.883 25.415 21.149 16.988 12.515 20.416 28.304 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.837 97.274 85.411 75.164 66.279 58.507 51.635 45.490 39.930 34.841 30.127 25.710 21.524 17.482 13.221 16.039 18.719 23.621 30.763 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.948 97.407 85.551 75.309 66.427 58.660 51.796 45.661 40.116 35.046 30.362 25.992 21.878 17.948 13.901 14.183 15.224 17.282 20.658 25.284 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 111.052 97.534 85.687 75.448 66.570 58.808 51.952 45.827 40.295 35.245 30.588 26.260 22.211 18.381 14.536 13.226 13.530 14.398 16.000 18.452 21.672 25.247 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 111.148 97.655 85.817 75.583 66.709 58.952 52.103 45.989 40.470 35.437 30.806 26.516 22.523 18.782 15.116 12.696 12.598 12.858 13.569 14.823 16.659 19.005 21.631 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 111.238 97.771 85.941 75.712 66.843 59.091 52.249 46.145 40.639 35.623 31.015 26.759 22.815 19.150 15.636 12.404 12.059 11.963 12.172 12.744 13.727 15.128 16.888 18.871 20.894 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 111.322 97.881 86.061 75.838 66.972 59.226 52.391 46.296 40.803 35.803 31.216 26.990 23.088 19.485 16.097 12.257 11.750 11.426 11.323 11.479 11.929 12.697 13.777 15.126 16.658 18.264 19.840 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 111.399 97.986 86.177 75.958 67.098 59.357 52.529 46.443 40.962 35.977 31.410 27.210 23.343 19.790 16.499 12.205 11.584 11.107 10.797 10.680 10.783 11.128 11.723 12.562 13.610 14.814 16.108 17.427 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 111.470 98.086 86.287 76.075 67.219 59.483 52.662 46.586 41.116 36.146 31.598 27.419 23.581 20.067 16.848 12.217 11.514 10.927 10.474 10.170 10.037 10.090 10.344 10.801 11.453 12.276 13.236 14.291 15.402 16.541 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 111.536 98.180 86.394 76.187 67.336 59.606 52.792 46.724 41.266 36.310 31.778 27.619 23.804 20.319 17.149 12.274 11.510 10.843 10.285 9.849 9.547 9.395 9.403 9.579 9.924 10.430 11.082 11.855 12.725 13.668 14.666 99999.999 99999.999 99999.999 99999.999 99999.999 111.595 98.270 86.496 76.296 67.450 59.725 52.917 46.859 41.412 36.469 31.952 27.811 24.015 20.549 17.409 12.363 11.553 10.826 10.191 9.656 9.232 8.930 8.758 8.725 8.836 9.089 9.480 9.997 10.626 11.350 12.155 13.031 13.971 99999.999 99999.999 99999.999 111.649 98.356 86.593 76.400 67.559 59.840 53.039 46.989 41.553 36.623 32.121 27.995 24.213 20.762 17.636 12.475 11.629 10.856 10.162 9.554 9.038 8.624 8.318 8.128 8.059 8.115 8.294 8.592 9.002 9.516 10.122 10.813 11.582 12.427 99999.999 99999.999 111.698 98.436 86.687 76.501 67.665 59.951 53.157 47.116 41.690 36.773 32.284 28.172 24.403 20.961 17.840 12.604 11.730 10.922 10.183 9.517 8.932 8.432 8.024 7.714 7.507 7.407 7.416 7.533 7.757 8.081 8.502 9.012 9.606 10.282 11.037 11.873 111.741 98.513 86.776 76.598 67.767 60.059 53.272 47.239 41.824 36.918 32.443 28.343 24.586 21.151 18.030 12.745 11.850 11.014 10.239 9.529 8.889 8.323 7.836 7.433 7.118 6.896 6.769 6.739 6.805 6.967 7.221 7.565 7.994 8.506 9.099 9.771 111.908 99.055 87.475 77.383 68.616 60.967 54.245 48.290 42.968 38.171 33.815 29.836 26.190 22.845 19.776 14.386 13.419 12.486 11.588 10.722 9.889 9.089 8.321 7.585 6.881 6.210 5.572 4.967 4.397 3.861 3.360 2.896 2.469 2.079 1.727 1.414 111.671 99.258 87.870 77.887 69.198 61.614 54.957 49.073 43.832 39.126 34.871 30.999 27.458 24.211 21.228 15.952 14.995 14.068 13.168 12.296 11.450 10.628 9.830 9.055 8.302 7.569 6.858 6.166 5.493 4.839 4.203 3.584 2.983 2.399 1.832 1.280 111.112 99.191 88.024 78.168 69.567 62.055 55.464 49.647 44.478 39.854 35.687 31.908 28.463 25.310 22.416 17.295 16.364 15.461 14.585 13.733 12.906 12.101 11.317 10.554 9.810 9.084 8.375 7.682 7.005 6.341 5.692 5.055 4.430 3.816 3.213 2.619 110.295 98.905 87.980 78.267 69.763 62.329 55.806 50.055 44.954 40.402 36.313 32.617 29.259 26.193 23.383 18.420 17.519 16.645 15.797 14.973 14.172 13.393 12.634 11.895 11.175 10.471 9.784 9.111 8.453 7.808 7.175 6.553 5.942 5.341 4.749 4.165 109.266 98.437 87.773 78.214 69.817 62.465 56.013 50.327 45.290 40.805 36.786 33.166 29.885 26.899 24.168 19.358 18.486 17.640 16.820 16.024 15.251 14.500 13.768 13.056 12.361 11.684 11.022 10.375 9.742 9.122 8.514 7.917 7.330 6.753 6.184 5.623 108.059 97.819 87.429 78.033 69.750 62.484 56.105 50.485 45.512 41.089 37.135 33.583 30.373 27.459 24.802 20.134 19.289 18.472 17.679 16.910 16.164 15.438 14.733 14.047 13.379 12.727 12.092 11.471 10.863 10.269 9.686 9.115 8.554 8.002 7.459 6.923 106.704 97.073 86.968 77.743 69.579 62.405 56.101 50.548 45.636 41.273 37.380 33.890 30.745 27.898 25.307 20.772 19.954 19.162 18.395 17.652 16.930 16.230 15.550 14.889 14.245 13.618 13.007 12.410 11.827 11.257 10.699 10.152 9.616 9.088 8.570 8.060 99999.999 96.219 86.406 77.359 69.320 62.240 56.014 50.528 45.677 41.373 37.538 34.106 31.020 28.233 25.705 21.293 20.500 19.732 18.988 18.269 17.571 16.894 16.237 15.599 14.978 14.374 13.786 13.212 12.651 12.104 11.568 11.044 10.530 10.025 9.530 9.042 periclase MgO P-T:All Wt.(g/mol) = 40.310 V(cc/mol) = 11.250 D(g/cc) = 3.583 Ref: H&P2011 3 1.000 10 1.000 2 -2.000 1 23.792 21.384 19.351 17.619 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.792 21.384 19.351 17.619 16.126 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.793 21.384 19.351 17.619 16.126 14.825 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.794 21.385 19.352 17.620 16.127 14.825 13.678 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.795 21.386 19.353 17.621 16.128 14.826 13.680 12.658 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.797 21.388 19.355 17.622 16.129 14.828 13.681 12.660 11.740 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.800 21.390 19.357 17.625 16.132 14.830 13.684 12.662 11.743 10.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.804 21.394 19.361 17.628 16.135 14.834 13.687 12.666 11.747 10.911 10.137 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.809 21.399 19.365 17.633 16.140 14.839 13.692 12.672 11.753 10.918 10.145 9.420 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.817 21.406 19.372 17.639 16.146 14.845 13.699 12.679 11.761 10.927 10.156 9.434 8.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.826 21.415 19.380 17.647 16.154 14.853 13.708 12.688 11.772 10.938 10.171 9.452 8.771 8.135 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.838 21.426 19.390 17.657 16.164 14.863 13.718 12.700 11.784 10.953 10.189 9.475 8.800 8.160 7.624 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.847 21.434 19.398 17.665 16.172 14.871 13.727 12.709 11.794 10.964 10.202 9.492 8.822 8.184 7.576 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.860 21.446 19.410 17.676 16.182 14.882 13.738 12.721 11.808 10.980 10.221 9.516 8.854 8.223 7.590 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.873 21.457 19.421 17.686 16.193 14.893 13.750 12.733 11.821 10.995 10.239 9.539 8.884 8.262 7.633 9.634 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.885 21.469 19.431 17.697 16.203 14.904 13.761 12.745 11.834 11.010 10.256 9.561 8.913 8.301 7.686 7.996 8.616 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.896 21.480 19.442 17.707 16.214 14.914 13.771 12.757 11.847 11.024 10.273 9.582 8.940 8.338 7.741 7.603 7.770 8.133 8.689 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.908 21.490 19.452 17.717 16.223 14.924 13.782 12.768 11.859 11.038 10.289 9.602 8.966 8.373 7.794 7.431 7.454 7.569 7.801 8.142 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.919 21.501 19.462 17.727 16.233 14.934 13.792 12.779 11.871 11.051 10.305 9.621 8.990 8.406 7.844 7.339 7.297 7.307 7.383 7.536 7.757 8.009 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.930 21.511 19.472 17.736 16.243 14.944 13.802 12.789 11.883 11.064 10.319 9.639 9.013 8.436 7.888 7.285 7.207 7.163 7.161 7.209 7.310 7.457 7.629 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.940 21.521 19.482 17.746 16.252 14.953 13.812 12.800 11.894 11.077 10.334 9.656 9.034 8.463 7.928 7.252 7.152 7.076 7.030 7.018 7.044 7.109 7.206 7.324 7.446 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.950 21.531 19.491 17.755 16.261 14.962 13.822 12.810 11.905 11.089 10.348 9.672 9.054 8.488 7.963 7.232 7.118 7.022 6.948 6.899 6.878 6.887 6.925 6.988 7.069 7.156 7.242 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.960 21.540 19.500 17.764 16.270 14.971 13.831 12.820 11.916 11.101 10.361 9.687 9.072 8.510 7.994 7.221 7.096 6.987 6.894 6.821 6.769 6.741 6.736 6.755 6.793 6.847 6.909 6.974 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.970 21.550 19.509 17.773 16.279 14.980 13.840 12.830 11.927 11.112 10.374 9.702 9.089 8.530 8.019 7.216 7.084 6.964 6.859 6.769 6.696 6.641 6.607 6.592 6.596 6.616 6.649 6.692 6.741 6.793 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.979 21.559 19.518 17.781 16.287 14.989 13.849 12.840 11.937 11.124 10.387 9.716 9.104 8.548 8.041 7.216 7.077 6.950 6.835 6.733 6.645 6.573 6.516 6.476 6.453 6.445 6.452 6.471 6.499 6.534 6.575 99999.999 99999.999 99999.999 99999.999 99999.999 23.988 21.568 19.527 17.790 16.296 14.997 13.858 12.849 11.947 11.135 10.399 9.729 9.119 8.564 8.059 7.218 7.075 6.943 6.821 6.710 6.611 6.525 6.452 6.394 6.349 6.320 6.303 6.299 6.307 6.323 6.348 6.379 6.417 99999.999 99999.999 99999.999 23.997 21.576 19.535 17.798 16.304 15.006 13.867 12.858 11.957 11.146 10.411 9.742 9.133 8.578 8.075 7.223 7.077 6.940 6.812 6.695 6.587 6.491 6.406 6.334 6.273 6.226 6.191 6.168 6.156 6.154 6.162 6.178 6.201 6.232 99999.999 99999.999 24.006 21.585 19.543 17.806 16.312 15.014 13.875 12.867 11.967 11.156 10.422 9.755 9.146 8.592 8.089 7.229 7.080 6.940 6.808 6.685 6.572 6.468 6.374 6.290 6.218 6.156 6.106 6.067 6.038 6.020 6.011 6.012 6.020 6.037 6.061 6.093 24.014 21.593 19.551 17.814 16.320 15.022 13.884 12.876 11.976 11.166 10.433 9.767 9.159 8.605 8.102 7.237 7.086 6.943 6.808 6.681 6.562 6.452 6.351 6.259 6.176 6.104 6.042 5.989 5.947 5.914 5.891 5.877 5.871 5.874 5.884 5.902 24.086 21.667 19.625 17.886 16.392 15.095 13.959 12.955 12.061 11.258 10.533 9.875 9.274 8.726 8.224 7.343 7.184 7.031 6.883 6.741 6.603 6.470 6.343 6.219 6.101 5.987 5.878 5.773 5.673 5.577 5.486 5.399 5.317 5.239 5.166 5.098 24.140 21.727 19.685 17.947 16.453 15.157 14.023 13.022 12.132 11.334 10.616 9.964 9.371 8.828 8.331 7.455 7.296 7.142 6.993 6.849 6.709 6.573 6.441 6.314 6.189 6.069 5.951 5.838 5.727 5.619 5.515 5.413 5.314 5.218 5.125 5.034 24.179 21.775 19.737 17.999 16.506 15.211 14.078 13.079 12.192 11.399 10.685 10.039 9.452 8.915 8.424 7.556 7.399 7.247 7.099 6.955 6.816 6.681 6.549 6.421 6.297 6.176 6.058 5.943 5.831 5.721 5.615 5.510 5.408 5.309 5.211 5.115 24.208 21.815 19.780 18.044 16.552 15.257 14.126 13.129 12.244 11.455 10.745 10.104 9.522 8.990 8.504 7.646 7.491 7.340 7.194 7.052 6.914 6.780 6.650 6.523 6.400 6.280 6.163 6.049 5.938 5.829 5.723 5.619 5.518 5.418 5.321 5.225 24.227 21.848 19.817 18.083 16.592 15.299 14.168 13.173 12.290 11.503 10.797 10.160 9.582 9.055 8.574 7.725 7.572 7.422 7.278 7.138 7.002 6.869 6.741 6.616 6.494 6.376 6.260 6.148 6.038 5.931 5.826 5.724 5.623 5.525 5.429 5.335 24.239 21.875 19.849 18.118 16.628 15.335 14.206 13.212 12.331 11.546 10.843 10.209 9.635 9.112 8.635 7.795 7.643 7.495 7.353 7.214 7.079 6.949 6.822 6.698 6.578 6.461 6.348 6.237 6.129 6.023 5.920 5.819 5.720 5.624 5.529 5.437 24.245 21.897 19.877 18.148 16.660 15.369 14.240 13.247 12.368 11.585 10.884 10.253 9.682 9.163 8.689 7.857 7.706 7.560 7.419 7.282 7.149 7.020 6.894 6.772 6.654 6.538 6.426 6.317 6.210 6.106 6.004 5.905 5.808 5.713 5.620 5.529 99999.999 21.916 19.901 18.175 16.689 15.399 14.271 13.280 12.402 11.620 10.921 10.292 9.724 9.208 8.737 7.912 7.762 7.618 7.478 7.342 7.211 7.083 6.959 6.838 6.721 6.607 6.496 6.388 6.283 6.180 6.080 5.982 5.886 5.793 5.701 5.611 periclase-Fe FeO P-T:All Wt.(g/mol) = 71.844 V(cc/mol) = 12.060 D(g/cc) = 5.957 Ref: H&P2011 3 1.000 11 1.000 2 -2.000 1 17.659 15.768 14.167 12.798 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.659 15.768 14.167 12.798 11.614 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.660 15.768 14.167 12.798 11.614 10.578 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.661 15.769 14.168 12.799 11.615 10.578 9.660 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.662 15.770 14.169 12.800 11.616 10.579 9.661 8.839 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.664 15.772 14.171 12.802 11.618 10.581 9.663 8.841 8.096 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.667 15.775 14.174 12.804 11.620 10.584 9.666 8.844 8.100 7.417 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.671 15.779 14.177 12.808 11.624 10.588 9.670 8.848 8.104 7.422 6.786 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.677 15.785 14.183 12.813 11.629 10.593 9.675 8.854 8.110 7.429 6.794 6.192 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.685 15.792 14.190 12.820 11.636 10.599 9.682 8.861 8.119 7.438 6.805 6.206 5.630 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.695 15.802 14.199 12.829 11.644 10.608 9.691 8.871 8.129 7.450 6.820 6.224 5.652 5.111 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.708 15.814 14.210 12.840 11.656 10.619 9.703 8.883 8.143 7.465 6.837 6.246 5.681 5.137 4.672 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.718 15.823 14.219 12.849 11.664 10.628 9.712 8.893 8.153 7.477 6.851 6.263 5.703 5.162 4.635 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.732 15.836 14.232 12.861 11.676 10.640 9.724 8.906 8.167 7.493 6.870 6.287 5.734 5.200 4.654 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.745 15.849 14.244 12.873 11.688 10.652 9.736 8.919 8.181 7.508 6.888 6.310 5.764 5.239 4.699 6.450 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.758 15.861 14.256 12.884 11.699 10.663 9.748 8.931 8.194 7.523 6.906 6.331 5.792 5.277 4.751 5.047 5.580 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.771 15.873 14.267 12.895 11.710 10.674 9.760 8.943 8.207 7.538 6.922 6.352 5.819 5.313 4.804 4.710 4.855 5.166 5.635 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.783 15.885 14.279 12.906 11.721 10.685 9.771 8.955 8.220 7.552 6.939 6.372 5.844 5.347 4.855 4.565 4.586 4.685 4.883 5.170 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.795 15.897 14.290 12.917 11.732 10.696 9.782 8.967 8.233 7.566 6.955 6.391 5.868 5.379 4.902 4.489 4.454 4.463 4.529 4.658 4.843 5.049 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.806 15.908 14.301 12.928 11.742 10.707 9.793 8.978 8.245 7.579 6.970 6.409 5.890 5.408 4.946 4.445 4.379 4.342 4.341 4.382 4.466 4.588 4.727 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.818 15.919 14.311 12.938 11.752 10.717 9.804 8.989 8.257 7.592 6.984 6.426 5.911 5.434 4.984 4.420 4.335 4.271 4.231 4.221 4.242 4.295 4.375 4.469 4.564 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.829 15.930 14.322 12.949 11.763 10.727 9.814 9.000 8.268 7.605 6.998 6.442 5.930 5.459 5.018 4.406 4.308 4.227 4.164 4.121 4.103 4.109 4.139 4.189 4.253 4.320 4.384 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.839 15.940 14.332 12.959 11.772 10.737 9.824 9.011 8.280 7.617 7.012 6.458 5.948 5.480 5.047 4.399 4.293 4.199 4.120 4.057 4.013 3.987 3.981 3.995 4.024 4.064 4.111 4.159 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.850 15.950 14.342 12.968 11.782 10.747 9.834 9.021 8.291 7.629 7.025 6.473 5.965 5.500 5.073 4.397 4.285 4.183 4.093 4.016 3.953 3.905 3.874 3.859 3.859 3.873 3.897 3.928 3.963 3.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.860 15.960 14.352 12.978 11.792 10.756 9.844 9.032 8.302 7.641 7.038 6.487 5.981 5.518 5.094 4.399 4.282 4.174 4.076 3.988 3.912 3.849 3.800 3.764 3.741 3.732 3.734 3.745 3.764 3.788 3.817 99999.999 99999.999 99999.999 99999.999 99999.999 17.869 15.970 14.362 12.987 11.801 10.766 9.853 9.042 8.312 7.652 7.051 6.500 5.996 5.534 5.113 4.404 4.283 4.170 4.066 3.971 3.886 3.811 3.748 3.696 3.656 3.628 3.611 3.604 3.606 3.616 3.631 3.653 3.679 99999.999 99999.999 99999.999 17.879 15.980 14.371 12.997 11.810 10.775 9.863 9.051 8.323 7.663 7.063 6.513 6.010 5.549 5.129 4.410 4.287 4.170 4.061 3.960 3.868 3.785 3.711 3.648 3.594 3.551 3.519 3.496 3.482 3.477 3.479 3.488 3.503 3.524 99999.999 99999.999 17.888 15.989 14.380 13.006 11.819 10.784 9.872 9.061 8.333 7.674 7.075 6.526 6.023 5.563 5.143 4.418 4.292 4.173 4.061 3.955 3.858 3.768 3.686 3.613 3.550 3.495 3.450 3.413 3.386 3.367 3.356 3.352 3.355 3.364 3.380 3.402 17.897 15.998 14.389 13.015 11.828 10.793 9.881 9.070 8.343 7.685 7.086 6.538 6.036 5.576 5.156 4.427 4.300 4.178 4.063 3.954 3.852 3.757 3.669 3.589 3.517 3.453 3.398 3.351 3.311 3.280 3.257 3.241 3.232 3.230 3.235 3.246 17.975 16.081 14.472 13.096 11.909 10.874 9.964 9.156 8.433 7.781 7.189 6.649 6.154 5.698 5.280 4.539 4.405 4.275 4.150 4.028 3.910 3.797 3.687 3.581 3.478 3.379 3.284 3.193 3.105 3.021 2.940 2.864 2.791 2.721 2.656 2.594 18.033 16.148 14.540 13.165 11.978 10.943 10.034 9.228 8.509 7.862 7.275 6.741 6.252 5.802 5.388 4.653 4.519 4.389 4.262 4.139 4.020 3.904 3.791 3.681 3.574 3.470 3.369 3.270 3.174 3.080 2.988 2.899 2.812 2.727 2.645 2.564 18.076 16.203 14.599 13.224 12.037 11.003 10.095 9.291 8.574 7.930 7.348 6.819 6.335 5.891 5.482 4.755 4.622 4.493 4.368 4.246 4.128 4.012 3.900 3.790 3.683 3.579 3.477 3.378 3.280 3.185 3.092 3.001 2.912 2.824 2.738 2.654 18.108 16.249 14.649 13.276 12.090 11.056 10.149 9.346 8.631 7.990 7.412 6.886 6.407 5.968 5.563 4.845 4.714 4.587 4.463 4.342 4.225 4.111 4.000 3.892 3.786 3.683 3.582 3.484 3.388 3.293 3.201 3.110 3.022 2.935 2.849 2.765 18.130 16.287 14.693 13.322 12.137 11.104 10.197 9.396 8.682 8.043 7.467 6.945 6.470 6.034 5.634 4.924 4.795 4.669 4.547 4.428 4.312 4.200 4.090 3.984 3.879 3.778 3.678 3.581 3.487 3.394 3.303 3.214 3.126 3.040 2.956 2.873 18.144 16.319 14.731 13.363 12.178 11.146 10.241 9.440 8.728 8.091 7.517 6.998 6.525 6.093 5.697 4.995 4.867 4.742 4.622 4.504 4.390 4.279 4.171 4.066 3.963 3.863 3.765 3.669 3.576 3.485 3.395 3.307 3.222 3.137 3.055 2.973 18.152 16.346 14.765 13.399 12.216 11.185 10.280 9.480 8.769 8.133 7.562 7.045 6.575 6.146 5.753 5.057 4.930 4.808 4.688 4.572 4.459 4.350 4.243 4.139 4.038 3.939 3.842 3.748 3.656 3.566 3.478 3.392 3.307 3.225 3.143 3.063 99999.999 16.369 14.794 13.432 12.251 11.221 10.316 9.517 8.807 8.173 7.602 7.087 6.619 6.193 5.803 5.113 4.988 4.866 4.748 4.633 4.521 4.413 4.307 4.205 4.105 4.007 3.912 3.819 3.728 3.639 3.552 3.467 3.384 3.303 3.223 3.144 perovskite-Al Al2O3 P-T:All Wt.(g/mol) = 101.960 V(cc/mol) = 25.400 D(g/cc) = 4.014 Ref: H&P2011 3 2.000 8 3.000 2 -6.000 1 26.320 21.988 18.283 15.086 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.320 21.988 18.283 15.086 12.294 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.322 21.990 18.284 15.088 12.296 9.825 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.324 21.992 18.287 15.090 12.298 9.827 7.611 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.329 21.997 18.291 15.095 12.303 9.832 7.615 5.601 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.336 22.004 18.298 15.101 12.309 9.839 7.623 5.609 3.756 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.347 22.015 18.309 15.112 12.320 9.849 7.634 5.621 3.769 2.039 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.362 22.030 18.324 15.126 12.334 9.864 7.649 5.637 3.787 2.059 0.414 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.383 22.051 18.344 15.146 12.354 9.885 7.670 5.660 3.811 2.087 0.447 -1.144 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.410 22.078 18.371 15.173 12.381 9.912 7.699 5.690 3.844 2.124 0.490 -1.091 -2.629 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.446 22.114 18.406 15.208 12.416 9.947 7.735 5.729 3.886 2.171 0.546 -1.023 -2.551 -3.962 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.491 22.160 18.451 15.252 12.460 9.992 7.782 5.778 3.940 2.231 0.616 -0.936 -2.446 -3.893 -4.897 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.526 22.194 18.485 15.286 12.493 10.026 7.817 5.816 3.981 2.276 0.669 -0.870 -2.364 -3.813 -5.152 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.574 22.243 18.533 15.333 12.541 10.074 7.868 5.869 4.038 2.340 0.744 -0.778 -2.247 -3.680 -5.157 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.621 22.291 18.581 15.380 12.588 10.122 7.917 5.921 4.094 2.402 0.816 -0.690 -2.134 -3.539 -5.024 5.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.668 22.338 18.627 15.426 12.633 10.168 7.965 5.972 4.148 2.462 0.885 -0.604 -2.025 -3.397 -4.844 -1.564 1.610 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.713 22.384 18.673 15.471 12.678 10.214 8.012 6.021 4.202 2.521 0.953 -0.523 -1.921 -3.260 -4.650 -3.322 -2.200 -0.189 2.780 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.757 22.430 18.718 15.515 12.722 10.258 8.058 6.070 4.254 2.578 1.018 -0.444 -1.822 -3.131 -4.460 -4.102 -3.622 -2.740 -1.325 0.627 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.800 22.474 18.762 15.559 12.766 10.302 8.103 6.117 4.305 2.634 1.081 -0.370 -1.729 -3.009 -4.280 -4.530 -4.341 -3.929 -3.224 -2.171 -0.787 0.790 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.842 22.517 18.805 15.601 12.808 10.345 8.148 6.164 4.354 2.688 1.142 -0.298 -1.642 -2.897 -4.115 -4.790 -4.760 -4.590 -4.239 -3.670 -2.861 -1.831 -0.656 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.883 22.560 18.847 15.643 12.850 10.388 8.191 6.210 4.403 2.741 1.201 -0.230 -1.560 -2.794 -3.968 -4.953 -5.023 -4.995 -4.846 -4.551 -4.090 -3.454 -2.662 -1.760 -0.814 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.923 22.602 18.889 15.685 12.891 10.429 8.234 6.255 4.451 2.793 1.258 -0.165 -1.484 -2.701 -3.839 -5.057 -5.194 -5.258 -5.234 -5.107 -4.862 -4.487 -3.981 -3.358 -2.648 -1.890 -1.125 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.962 22.643 18.930 15.725 12.932 10.470 8.276 6.299 4.498 2.843 1.314 -0.103 -1.413 -2.617 -3.727 -5.122 -5.306 -5.433 -5.493 -5.477 -5.373 -5.171 -4.866 -4.459 -3.961 -3.391 -2.774 -2.135 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.000 22.683 18.970 15.765 12.972 10.510 8.317 6.342 4.544 2.892 1.368 -0.044 -1.346 -2.540 -3.631 -5.160 -5.378 -5.550 -5.670 -5.730 -5.723 -5.640 -5.476 -5.228 -4.899 -4.496 -4.032 -3.523 -2.984 -2.427 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 27.037 22.723 19.010 15.805 13.011 10.550 8.358 6.384 4.588 2.941 1.420 0.013 -1.284 -2.472 -3.550 -5.178 -5.422 -5.628 -5.791 -5.907 -5.968 -5.970 -5.908 -5.777 -5.576 -5.309 -4.980 -4.598 -4.173 -3.715 -3.231 99999.999 99999.999 99999.999 99999.999 99999.999 27.074 22.762 19.049 15.843 13.050 10.589 8.398 6.426 4.633 2.988 1.471 0.068 -1.225 -2.409 -3.482 -5.181 -5.445 -5.677 -5.874 -6.030 -6.143 -6.207 -6.219 -6.174 -6.072 -5.911 -5.693 -5.423 -5.106 -4.749 -4.357 -3.935 -3.488 99999.999 99999.999 99999.999 27.110 22.800 19.088 15.882 13.088 10.627 8.437 6.467 4.676 3.034 1.520 0.121 -1.169 -2.352 -3.423 -5.174 -5.454 -5.706 -5.928 -6.115 -6.267 -6.378 -6.445 -6.467 -6.439 -6.362 -6.234 -6.057 -5.835 -5.570 -5.267 -4.930 -4.562 -4.166 99999.999 99999.999 27.145 22.838 19.125 15.919 13.125 10.665 8.476 6.507 4.718 3.079 1.568 0.172 -1.116 -2.298 -3.371 -5.158 -5.451 -5.719 -5.960 -6.173 -6.354 -6.501 -6.612 -6.684 -6.714 -6.702 -6.646 -6.546 -6.403 -6.220 -5.998 -5.740 -5.450 -5.128 -4.777 -4.397 27.179 22.875 19.163 15.956 13.162 10.702 8.514 6.547 4.760 3.124 1.616 0.222 -1.064 -2.246 -3.322 -5.136 -5.439 -5.720 -5.977 -6.209 -6.414 -6.590 -6.734 -6.845 -6.921 -6.960 -6.961 -6.924 -6.847 -6.733 -6.583 -6.397 -6.178 -5.928 -5.647 -5.337 27.482 23.212 19.506 16.299 13.504 11.047 8.865 6.910 5.141 3.528 2.046 0.678 -0.588 -1.760 -2.843 -4.759 -5.104 -5.437 -5.758 -6.067 -6.363 -6.648 -6.921 -7.182 -7.430 -7.667 -7.890 -8.101 -8.299 -8.483 -8.654 -8.812 -8.955 -9.084 -9.199 -9.300 27.727 23.501 19.806 16.600 13.806 11.349 9.172 7.225 5.469 3.873 2.412 1.066 -0.179 -1.333 -2.403 -4.321 -4.672 -5.013 -5.344 -5.666 -5.980 -6.284 -6.580 -6.868 -7.149 -7.421 -7.686 -7.944 -8.195 -8.439 -8.676 -8.907 -9.131 -9.349 -9.561 -9.766 27.926 23.752 20.070 16.869 14.075 11.620 9.446 7.505 5.758 4.175 2.730 1.403 0.177 -0.958 -2.013 -3.908 -4.257 -4.596 -4.927 -5.249 -5.563 -5.870 -6.169 -6.462 -6.747 -7.027 -7.300 -7.568 -7.830 -8.087 -8.339 -8.587 -8.830 -9.069 -9.304 -9.536 28.089 23.972 20.308 17.111 14.319 11.865 9.693 7.756 6.017 4.444 3.012 1.699 0.490 -0.628 -1.666 -3.534 -3.878 -4.213 -4.540 -4.858 -5.169 -5.473 -5.769 -6.059 -6.343 -6.621 -6.894 -7.161 -7.423 -7.681 -7.934 -8.183 -8.429 -8.671 -8.910 -9.145 28.222 24.168 20.522 17.332 14.543 12.090 9.920 7.986 6.252 4.686 3.264 1.964 0.769 -0.335 -1.358 -3.197 -3.536 -3.866 -4.187 -4.501 -4.807 -5.107 -5.399 -5.685 -5.964 -6.238 -6.507 -6.771 -7.029 -7.284 -7.534 -7.780 -8.022 -8.262 -8.498 -8.731 28.332 24.343 20.718 17.536 14.749 12.298 10.129 8.198 6.467 4.907 3.493 2.203 1.019 -0.071 -1.081 -2.893 -3.227 -3.552 -3.869 -4.177 -4.479 -4.773 -5.061 -5.342 -5.617 -5.886 -6.150 -6.409 -6.664 -6.913 -7.159 -7.401 -7.639 -7.873 -8.105 -8.334 28.423 24.502 20.899 17.724 14.941 12.491 10.324 8.394 6.667 5.112 3.703 2.421 1.247 0.167 -0.830 -2.619 -2.948 -3.268 -3.580 -3.884 -4.181 -4.470 -4.753 -5.030 -5.300 -5.565 -5.825 -6.079 -6.329 -6.574 -6.815 -7.052 -7.285 -7.515 -7.742 -7.966 99999.999 24.649 21.066 17.900 15.121 12.673 10.507 8.579 6.854 5.302 3.898 2.622 1.456 0.385 -0.602 -2.369 -2.694 -3.009 -3.317 -3.617 -3.909 -4.195 -4.473 -4.746 -5.012 -5.272 -5.528 -5.778 -6.023 -6.264 -6.501 -6.733 -6.962 -7.188 -7.410 -7.629 perovskite-Ca CaSiO3 P-T:All Wt.(g/mol) = 116.160 V(cc/mol) = 27.450 D(g/cc) = 4.232 Ref: H&P2011 4 1.000 9 1.000 7 -1.000 2 -2.000 1 32.783 30.023 27.639 25.582 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.783 30.023 27.639 25.582 23.795 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.783 30.023 27.639 25.582 23.795 22.228 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.783 30.023 27.640 25.583 23.796 22.229 20.843 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.784 30.024 27.641 25.584 23.797 22.230 20.844 19.606 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.785 30.026 27.642 25.585 23.798 22.232 20.846 19.608 18.491 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.786 30.028 27.644 25.588 23.801 22.235 20.849 19.611 18.495 17.477 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.789 30.030 27.647 25.591 23.804 22.238 20.853 19.615 18.500 17.483 16.543 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.791 30.034 27.651 25.595 23.809 22.243 20.858 19.621 18.506 17.491 16.553 15.672 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.794 30.039 27.657 25.601 23.815 22.250 20.865 19.629 18.515 17.501 16.565 15.688 14.852 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.798 30.044 27.663 25.608 23.823 22.258 20.874 19.639 18.527 17.514 16.581 15.709 14.879 14.081 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.802 30.051 27.671 25.617 23.832 22.268 20.886 19.652 18.541 17.531 16.601 15.734 14.913 14.121 13.366 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.805 30.056 27.677 25.623 23.839 22.276 20.894 19.661 18.552 17.543 16.616 15.753 14.938 14.153 13.369 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.808 30.062 27.684 25.632 23.848 22.286 20.905 19.674 18.566 17.560 16.637 15.780 14.972 14.198 13.416 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.810 30.067 27.691 25.639 23.857 22.296 20.916 19.686 18.580 17.576 16.656 15.804 15.005 14.243 13.475 13.861 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.811 30.071 27.697 25.646 23.865 22.305 20.926 19.697 18.593 17.591 16.675 15.828 15.036 14.285 13.535 13.035 13.213 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.811 30.075 27.702 25.653 23.872 22.313 20.936 19.708 18.605 17.606 16.692 15.850 15.065 14.324 13.594 12.852 12.800 12.845 12.964 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.810 30.078 27.707 25.659 23.879 22.321 20.944 19.718 18.617 17.620 16.709 15.870 15.092 14.361 13.649 12.784 12.659 12.582 12.562 12.584 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.808 30.080 27.711 25.664 23.885 22.328 20.953 19.728 18.628 17.633 16.724 15.890 15.117 14.395 13.699 12.757 12.600 12.471 12.377 12.318 12.286 12.254 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.806 30.081 27.714 25.668 23.891 22.335 20.961 19.737 18.639 17.645 16.739 15.908 15.140 14.426 13.745 12.749 12.575 12.420 12.288 12.181 12.099 12.035 11.974 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.802 30.082 27.717 25.672 23.896 22.341 20.968 19.746 18.649 17.657 16.753 15.925 15.162 14.454 13.785 12.751 12.566 12.396 12.243 12.109 11.993 11.896 11.812 11.733 11.648 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.798 30.082 27.719 25.676 23.901 22.346 20.975 19.754 18.658 17.668 16.767 15.942 15.182 14.479 13.821 12.758 12.567 12.388 12.222 12.071 11.934 11.813 11.706 11.610 11.518 11.426 11.328 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.793 30.081 27.721 25.679 23.905 22.351 20.981 19.761 18.667 17.679 16.779 15.957 15.201 14.503 13.853 12.769 12.574 12.389 12.215 12.053 11.902 11.765 11.640 11.527 11.422 11.324 11.227 11.129 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.787 30.080 27.722 25.681 23.908 22.356 20.986 19.768 18.676 17.689 16.791 15.971 15.218 14.524 13.881 12.782 12.584 12.395 12.216 12.046 11.887 11.738 11.601 11.474 11.357 11.247 11.144 11.044 10.946 10.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.781 30.078 27.722 25.683 23.911 22.360 20.992 19.775 18.683 17.698 16.803 15.984 15.234 14.543 13.904 12.796 12.596 12.405 12.222 12.047 11.882 11.725 11.579 11.442 11.314 11.194 11.082 10.976 10.875 10.777 10.683 99999.999 99999.999 99999.999 99999.999 99999.999 32.774 30.076 27.722 25.684 23.914 22.364 20.997 19.781 18.691 17.707 16.813 15.997 15.248 14.560 13.925 12.811 12.610 12.417 12.231 12.053 11.883 11.721 11.568 11.424 11.287 11.159 11.039 10.926 10.818 10.717 10.620 10.527 10.440 99999.999 99999.999 99999.999 32.766 30.073 27.721 25.685 23.916 22.367 21.001 19.786 18.698 17.715 16.823 16.009 15.262 14.576 13.943 12.826 12.624 12.430 12.242 12.062 11.889 11.723 11.565 11.415 11.273 11.138 11.010 10.890 10.776 10.669 10.567 10.471 10.381 10.296 99999.999 99999.999 32.757 30.069 27.720 25.686 23.918 22.370 21.005 19.791 18.704 17.723 16.833 16.020 15.275 14.590 13.959 12.842 12.640 12.444 12.255 12.073 11.898 11.730 11.568 11.414 11.266 11.126 10.993 10.867 10.747 10.634 10.527 10.426 10.331 10.242 10.159 10.082 32.748 30.065 27.718 25.686 23.919 22.372 21.009 19.796 18.710 17.731 16.842 16.031 15.287 14.604 13.974 12.857 12.655 12.459 12.269 12.086 11.909 11.739 11.575 11.417 11.266 11.122 10.984 10.853 10.728 10.610 10.497 10.391 10.291 10.197 10.109 10.028 32.623 29.995 27.677 25.663 23.910 22.376 21.024 19.823 18.750 17.784 16.909 16.112 15.384 14.714 14.098 13.000 12.799 12.604 12.415 12.231 12.051 11.877 11.707 11.542 11.381 11.224 11.072 10.924 10.779 10.639 10.502 10.370 10.241 10.117 9.996 9.879 32.447 29.884 27.598 25.605 23.869 22.348 21.008 19.819 18.758 17.804 16.942 16.159 15.443 14.786 14.182 13.108 12.912 12.721 12.535 12.355 12.179 12.008 11.841 11.679 11.520 11.366 11.215 11.067 10.923 10.783 10.645 10.511 10.379 10.250 10.125 10.001 32.232 29.738 27.488 25.519 23.801 22.295 20.968 19.791 18.741 17.799 16.949 16.177 15.473 14.829 14.237 13.184 12.992 12.806 12.625 12.449 12.277 12.110 11.947 11.789 11.634 11.483 11.336 11.192 11.052 10.914 10.780 10.648 10.519 10.393 10.269 10.148 31.984 29.564 27.354 25.411 23.711 22.221 20.907 19.743 18.705 17.774 16.935 16.174 15.481 14.848 14.266 13.235 13.047 12.865 12.688 12.516 12.348 12.185 12.026 11.872 11.721 11.574 11.431 11.291 11.154 11.020 10.890 10.762 10.636 10.513 10.393 10.275 31.710 29.368 27.199 25.283 23.604 22.130 20.830 19.679 18.652 17.732 16.903 16.153 15.471 14.848 14.277 13.265 13.081 12.902 12.729 12.561 12.397 12.238 12.083 11.932 11.785 11.641 11.502 11.365 11.232 11.102 10.975 10.851 10.729 10.610 10.493 10.378 31.412 29.152 27.026 25.139 23.481 22.025 20.739 19.600 18.585 17.676 16.858 16.118 15.446 14.833 14.271 13.278 13.097 12.922 12.752 12.587 12.427 12.271 12.120 11.972 11.829 11.689 11.552 11.419 11.290 11.163 11.039 10.918 10.800 10.684 10.570 10.459 31.096 28.919 26.838 24.981 23.346 21.907 20.636 19.510 18.507 17.609 16.801 16.070 15.408 14.804 14.251 13.275 13.098 12.927 12.760 12.599 12.441 12.289 12.141 11.996 11.856 11.719 11.586 11.456 11.329 11.206 11.085 10.967 10.852 10.739 10.628 10.520 99999.999 28.672 26.638 24.811 23.198 21.778 20.523 19.410 18.418 17.531 16.733 16.012 15.359 14.764 14.220 13.261 13.087 12.919 12.755 12.597 12.443 12.293 12.148 12.006 11.869 11.735 11.605 11.478 11.354 11.233 11.115 11.000 10.887 10.777 10.670 10.564 perovskite-Fe FeSiO3 P-T:All Wt.(g/mol) = 131.927 V(cc/mol) = 25.480 D(g/cc) = 5.178 Ref: H&P2011 4 1.000 11 1.000 7 -1.000 2 -2.000 1 30.401 27.548 25.087 22.967 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.401 27.548 25.087 22.967 21.129 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.402 27.548 25.087 22.968 21.129 19.520 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.402 27.549 25.088 22.968 21.130 19.520 18.098 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.403 27.550 25.089 22.969 21.131 19.522 18.099 16.830 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.404 27.551 25.091 22.971 21.133 19.524 18.102 16.832 15.688 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.406 27.553 25.093 22.974 21.136 19.527 18.105 16.836 15.692 14.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.408 27.557 25.097 22.978 21.140 19.532 18.110 16.841 15.698 14.656 13.693 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.411 27.561 25.102 22.984 21.146 19.538 18.117 16.849 15.706 14.665 13.704 12.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.414 27.567 25.109 22.991 21.154 19.546 18.125 16.858 15.717 14.678 13.719 12.819 11.962 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.418 27.574 25.117 23.000 21.163 19.556 18.137 16.871 15.731 14.693 13.737 12.843 11.992 11.181 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.423 27.582 25.127 23.010 21.175 19.569 18.150 16.886 15.748 14.713 13.761 12.872 12.030 11.221 10.479 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.426 27.588 25.134 23.019 21.184 19.578 18.161 16.897 15.760 14.728 13.778 12.894 12.058 11.255 10.465 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.429 27.596 25.144 23.029 21.195 19.591 18.175 16.913 15.778 14.748 13.803 12.925 12.098 11.306 10.507 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.431 27.603 25.152 23.040 21.207 19.603 18.188 16.928 15.795 14.767 13.826 12.953 12.136 11.356 10.568 11.647 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.432 27.608 25.161 23.049 21.217 19.615 18.201 16.942 15.811 14.786 13.848 12.981 12.171 11.403 10.635 10.406 10.782 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.433 27.614 25.168 23.058 21.227 19.626 18.213 16.956 15.826 14.803 13.869 13.007 12.205 11.448 10.701 10.123 10.154 10.333 10.645 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.432 27.618 25.174 23.066 21.236 19.636 18.225 16.968 15.841 14.820 13.888 13.031 12.236 11.490 10.763 10.011 9.933 9.925 10.004 10.159 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.430 27.621 25.180 23.073 21.245 19.646 18.235 16.981 15.855 14.836 13.907 13.054 12.266 11.529 10.820 9.959 9.832 9.746 9.710 9.731 9.799 9.880 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.428 27.624 25.186 23.080 21.252 19.655 18.246 16.992 15.868 14.852 13.925 13.076 12.293 11.565 10.873 9.935 9.782 9.656 9.562 9.507 9.490 9.505 9.534 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.424 27.626 25.190 23.086 21.260 19.663 18.255 17.003 15.881 14.866 13.943 13.097 12.318 11.598 10.919 9.927 9.758 9.608 9.482 9.383 9.313 9.271 9.252 9.245 9.237 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.420 27.627 25.194 23.091 21.266 19.671 18.264 17.014 15.893 14.880 13.959 13.116 12.342 11.628 10.961 9.927 9.748 9.584 9.438 9.312 9.209 9.127 9.068 9.026 8.995 8.968 8.936 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.415 27.628 25.197 23.096 21.273 19.678 18.273 17.024 15.904 14.893 13.974 13.135 12.364 11.655 10.997 9.933 9.747 9.574 9.415 9.272 9.146 9.039 8.950 8.878 8.820 8.773 8.732 8.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.409 27.628 25.200 23.101 21.278 19.685 18.281 17.033 15.915 14.906 13.989 13.152 12.384 11.679 11.029 9.943 9.752 9.572 9.405 9.250 9.109 8.984 8.874 8.779 8.698 8.630 8.572 8.520 8.472 8.427 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.402 27.627 25.202 23.104 21.283 19.692 18.289 17.042 15.926 14.918 14.003 13.168 12.403 11.701 11.056 9.955 9.761 9.576 9.402 9.240 9.089 8.951 8.825 8.713 8.615 8.528 8.452 8.386 8.327 8.274 8.226 99999.999 99999.999 99999.999 99999.999 99999.999 30.394 27.626 25.203 23.108 21.288 19.697 18.296 17.051 15.935 14.930 14.016 13.183 12.421 11.722 11.080 9.969 9.772 9.584 9.406 9.237 9.079 8.932 8.796 8.671 8.558 8.457 8.366 8.285 8.213 8.149 8.092 8.041 7.997 99999.999 99999.999 99999.999 30.386 27.623 25.204 23.110 21.292 19.703 18.302 17.058 15.945 14.941 14.029 13.198 12.437 11.740 11.100 9.984 9.785 9.595 9.413 9.240 9.077 8.923 8.778 8.644 8.521 8.407 8.304 8.211 8.127 8.051 7.984 7.924 7.870 7.824 99999.999 99999.999 30.377 27.621 25.205 23.113 21.296 19.708 18.308 17.066 15.954 14.951 14.041 13.212 12.453 11.757 11.119 9.999 9.799 9.607 9.423 9.247 9.080 8.921 8.770 8.629 8.497 8.375 8.262 8.158 8.063 7.977 7.899 7.828 7.766 7.711 7.663 7.623 30.367 27.618 25.204 23.114 21.299 19.712 18.314 17.073 15.962 14.961 14.053 13.225 12.468 11.773 11.136 10.015 9.814 9.621 9.435 9.257 9.086 8.923 8.769 8.622 8.484 8.354 8.233 8.120 8.016 7.920 7.833 7.753 7.681 7.617 7.560 7.511 30.236 27.556 25.176 23.107 21.308 19.734 18.349 17.120 16.023 15.036 14.143 13.331 12.589 11.908 11.282 10.173 9.971 9.775 9.585 9.401 9.222 9.049 8.880 8.717 8.558 8.404 8.255 8.110 7.970 7.835 7.704 7.577 7.455 7.338 7.225 7.116 30.051 27.448 25.107 23.063 21.281 19.722 18.350 17.134 16.049 15.076 14.196 13.398 12.669 12.002 11.389 10.301 10.103 9.911 9.724 9.542 9.366 9.194 9.027 8.864 8.706 8.551 8.401 8.254 8.111 7.971 7.834 7.701 7.571 7.445 7.321 7.200 29.823 27.305 25.006 22.988 21.226 19.682 18.324 17.121 16.048 15.087 14.220 13.435 12.719 12.064 11.463 10.398 10.204 10.016 9.833 9.655 9.483 9.315 9.151 8.992 8.837 8.685 8.538 8.393 8.253 8.115 7.980 7.849 7.720 7.594 7.470 7.349 29.561 27.131 24.878 22.889 21.147 19.621 18.276 17.086 16.026 15.077 14.222 13.448 12.744 12.101 11.511 10.468 10.278 10.094 9.915 9.741 9.573 9.409 9.249 9.093 8.942 8.794 8.650 8.510 8.373 8.238 8.107 7.979 7.854 7.731 7.610 7.492 29.270 26.933 24.727 22.769 21.050 19.541 18.211 17.034 15.986 15.048 14.204 13.441 12.748 12.116 11.537 10.515 10.329 10.149 9.974 9.804 9.639 9.479 9.323 9.171 9.024 8.880 8.739 8.602 8.469 8.338 8.211 8.086 7.964 7.845 7.728 7.613 28.956 26.715 24.558 22.631 20.936 19.445 18.130 16.967 15.931 15.004 14.171 13.419 12.737 12.115 11.546 10.543 10.361 10.184 10.013 9.847 9.686 9.529 9.377 9.229 9.084 8.944 8.807 8.674 8.544 8.417 8.292 8.171 8.053 7.937 7.823 7.712 28.621 26.478 24.373 22.479 20.807 19.335 18.037 16.886 15.863 14.947 14.125 13.383 12.711 12.099 11.540 10.555 10.376 10.204 10.036 9.873 9.715 9.562 9.413 9.268 9.127 8.990 8.857 8.726 8.600 8.476 8.355 8.237 8.121 8.008 7.898 7.790 99999.999 26.227 24.173 22.313 20.667 19.214 17.932 16.795 15.784 14.880 14.068 13.336 12.673 12.071 11.521 10.553 10.378 10.209 10.044 9.885 9.730 9.580 9.434 9.293 9.155 9.021 8.890 8.763 8.639 8.518 8.401 8.285 8.173 8.063 7.955 7.850 perovskite-Mg MgSiO3 P-T:All Wt.(g/mol) = 100.387 V(cc/mol) = 24.450 D(g/cc) = 4.106 Ref: H&P2011 4 1.000 10 1.000 7 -1.000 2 -2.000 1 33.142 30.039 27.373 25.085 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.142 30.039 27.373 25.085 23.105 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.142 30.039 27.374 25.085 23.106 21.379 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.143 30.040 27.374 25.086 23.106 21.379 19.858 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.143 30.041 27.375 25.087 23.108 21.381 19.859 18.505 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.144 30.042 27.377 25.088 23.109 21.383 19.861 18.507 17.291 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.145 30.044 27.379 25.091 23.112 21.386 19.864 18.511 17.295 16.190 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.147 30.047 27.383 25.095 23.116 21.390 19.869 18.516 17.301 16.197 15.180 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.150 30.051 27.387 25.099 23.121 21.396 19.875 18.523 17.309 16.206 15.191 14.241 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.153 30.056 27.393 25.106 23.128 21.403 19.884 18.532 17.319 16.218 15.206 14.259 13.363 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.156 30.062 27.400 25.114 23.137 21.412 19.894 18.544 17.333 16.234 15.225 14.283 13.392 12.550 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.160 30.069 27.409 25.123 23.148 21.424 19.907 18.559 17.349 16.253 15.248 14.313 13.430 12.589 11.836 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.162 30.074 27.415 25.131 23.155 21.433 19.917 18.569 17.361 16.267 15.265 14.335 13.459 12.623 11.810 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.164 30.080 27.423 25.140 23.166 21.445 19.930 18.584 17.378 16.287 15.289 14.366 13.499 12.674 11.846 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.165 30.086 27.431 25.149 23.176 21.456 19.942 18.598 17.394 16.306 15.312 14.395 13.538 12.724 11.907 13.340 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.165 30.090 27.437 25.157 23.185 21.466 19.954 18.612 17.410 16.324 15.334 14.422 13.574 12.773 11.974 11.863 12.345 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.164 30.094 27.443 25.165 23.194 21.476 19.965 18.625 17.425 16.341 15.354 14.448 13.608 12.819 12.042 11.524 11.595 11.844 12.261 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.163 30.097 27.449 25.171 23.202 21.485 19.976 18.637 17.439 16.357 15.374 14.472 13.640 12.862 12.106 11.385 11.327 11.353 11.484 11.711 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.160 30.100 27.453 25.177 23.209 21.494 19.986 18.648 17.452 16.373 15.393 14.496 13.669 12.901 12.165 11.317 11.202 11.134 11.128 11.189 11.310 11.455 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.156 30.101 27.457 25.183 23.216 21.502 19.995 18.659 17.464 16.388 15.410 14.517 13.697 12.938 12.219 11.282 11.136 11.021 10.945 10.915 10.932 10.988 11.065 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.152 30.102 27.461 25.188 23.222 21.509 20.004 18.669 17.476 16.402 15.427 14.538 13.722 12.971 12.267 11.266 11.101 10.959 10.844 10.761 10.712 10.699 10.714 10.746 10.780 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.146 30.102 27.463 25.192 23.228 21.516 20.012 18.679 17.488 16.415 15.443 14.557 13.746 13.001 12.309 11.261 11.083 10.924 10.785 10.670 10.581 10.519 10.484 10.471 10.472 10.480 10.484 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.140 30.101 27.465 25.196 23.233 21.522 20.020 18.688 17.499 16.428 15.458 14.575 13.768 13.029 12.346 11.263 11.077 10.906 10.751 10.615 10.500 10.406 10.334 10.283 10.251 10.231 10.219 10.210 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.133 30.100 27.467 25.199 23.237 21.528 20.027 18.697 17.509 16.440 15.473 14.592 13.788 13.053 12.378 11.269 11.077 10.898 10.733 10.583 10.450 10.334 10.236 10.157 10.095 10.048 10.014 9.988 9.968 9.951 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.126 30.098 27.467 25.202 23.242 21.534 20.033 18.705 17.519 16.452 15.486 14.608 13.807 13.075 12.406 11.278 11.082 10.897 10.725 10.565 10.419 10.287 10.172 10.071 9.987 9.917 9.860 9.815 9.779 9.751 9.728 99999.999 99999.999 99999.999 99999.999 99999.999 33.117 30.095 27.468 25.204 23.245 21.538 20.040 18.712 17.528 16.463 15.499 14.623 13.824 13.095 12.429 11.290 11.090 10.901 10.723 10.556 10.401 10.259 10.129 10.014 9.912 9.823 9.748 9.684 9.631 9.588 9.553 9.525 9.504 99999.999 99999.999 99999.999 33.108 30.092 27.467 25.205 23.248 21.543 20.045 18.720 17.537 16.473 15.511 14.637 13.841 13.113 12.450 11.303 11.101 10.909 10.727 10.554 10.393 10.242 10.103 9.975 9.860 9.757 9.666 9.587 9.518 9.460 9.411 9.370 9.338 9.314 99999.999 99999.999 33.098 30.088 27.467 25.206 23.251 21.547 20.051 18.726 17.545 16.483 15.523 14.651 13.856 13.130 12.468 11.317 11.113 10.919 10.733 10.557 10.390 10.234 10.087 9.951 9.825 9.711 9.607 9.515 9.433 9.361 9.298 9.245 9.201 9.165 9.137 9.118 33.088 30.084 27.465 25.207 23.253 21.550 20.055 18.732 17.552 16.492 15.534 14.664 13.870 13.146 12.484 11.332 11.127 10.930 10.743 10.563 10.393 10.231 10.079 9.936 9.803 9.680 9.566 9.463 9.369 9.285 9.211 9.146 9.089 9.042 9.002 8.972 32.948 30.012 27.426 25.189 23.251 21.563 20.082 18.772 17.607 16.562 15.620 14.766 13.989 13.278 12.628 11.482 11.275 11.075 10.881 10.693 10.511 10.335 10.165 10.000 9.840 9.686 9.537 9.393 9.254 9.121 8.992 8.868 8.750 8.636 8.527 8.424 32.757 29.895 27.348 25.135 23.215 21.542 20.074 18.779 17.627 16.596 15.669 14.829 14.066 13.370 12.732 11.608 11.405 11.207 11.016 10.830 10.650 10.475 10.305 10.140 9.979 9.823 9.671 9.524 9.380 9.240 9.103 8.971 8.841 8.715 8.593 8.473 32.523 29.743 27.237 25.051 23.151 21.494 20.041 18.759 17.620 16.602 15.688 14.862 14.113 13.430 12.805 11.704 11.504 11.311 11.124 10.942 10.765 10.594 10.427 10.266 10.108 9.955 9.805 9.660 9.518 9.380 9.244 9.112 8.984 8.858 8.734 8.614 32.256 29.561 27.100 24.943 23.065 21.425 19.986 18.717 17.591 16.586 15.685 14.871 14.134 13.463 12.851 11.772 11.577 11.388 11.205 11.027 10.855 10.687 10.525 10.367 10.213 10.063 9.918 9.776 9.637 9.502 9.370 9.242 9.116 8.993 8.872 8.754 31.960 29.356 26.942 24.815 22.959 21.337 19.914 18.659 17.545 16.552 15.663 14.861 14.136 13.476 12.875 11.818 11.627 11.442 11.263 11.089 10.921 10.757 10.599 10.445 10.295 10.149 10.007 9.869 9.734 9.602 9.474 9.349 9.227 9.107 8.990 8.876 31.641 29.130 26.765 24.670 22.837 21.234 19.827 18.585 17.484 16.503 15.625 14.835 14.120 13.472 12.881 11.845 11.658 11.477 11.302 11.132 10.967 10.807 10.652 10.502 10.355 10.213 10.075 9.940 9.809 9.681 9.557 9.435 9.316 9.200 9.087 8.976 31.303 28.887 26.572 24.510 22.702 21.118 19.726 18.499 17.411 16.441 15.574 14.795 14.091 13.453 12.872 11.855 11.672 11.495 11.323 11.157 10.996 10.840 10.688 10.541 10.398 10.259 10.125 9.993 9.865 9.741 9.620 9.501 9.386 9.273 9.163 9.055 99999.999 28.629 26.365 24.337 22.554 20.990 19.615 18.401 17.326 16.369 15.512 14.743 14.050 13.421 12.850 11.852 11.672 11.498 11.330 11.167 11.010 10.857 10.709 10.565 10.425 10.290 10.158 10.030 9.905 9.784 9.666 9.551 9.438 9.328 9.221 9.117 phase_A Mg7Si2O14H6 P-T:All Wt.(g/mol) = 456.350 V(cc/mol) = 154.220 D(g/cc) = 2.959 Ref: H&P2011 4 7.000 10 2.000 7 6.000 2 -14.000 1 119.042 106.836 96.482 87.673 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 119.042 106.836 96.482 87.673 80.108 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 119.044 106.838 96.484 87.675 80.110 73.541 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 119.048 106.843 96.488 87.679 80.114 73.546 67.774 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 119.055 106.849 96.495 87.686 80.121 73.553 67.782 62.651 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 119.066 106.860 96.506 87.697 80.132 73.564 67.794 62.664 58.048 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 119.082 106.877 96.522 87.713 80.149 73.581 67.812 62.684 58.070 53.857 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 119.105 106.900 96.545 87.736 80.172 73.605 67.838 62.712 58.102 53.894 49.977 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 119.136 106.931 96.577 87.767 80.204 73.638 67.873 62.751 58.145 53.943 50.038 46.326 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 119.176 106.973 96.618 87.808 80.245 73.682 67.920 62.801 58.201 54.009 50.118 46.428 42.877 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 119.227 107.025 96.670 87.861 80.299 73.738 67.979 62.866 58.274 54.093 50.220 46.559 43.039 39.717 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 119.291 107.091 96.736 87.927 80.367 73.808 68.054 62.948 58.365 54.198 50.348 46.723 43.249 39.903 37.149 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 119.338 107.140 96.786 87.977 80.417 73.861 68.110 63.010 58.433 54.277 50.444 46.847 43.411 40.084 36.847 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 119.402 107.208 96.854 88.047 80.488 73.935 68.189 63.095 58.529 54.387 50.577 47.018 43.638 40.365 36.969 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 119.462 107.273 96.920 88.113 80.557 74.006 68.265 63.178 58.621 54.493 50.705 47.181 43.855 40.652 37.294 52.744 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 119.519 107.335 96.984 88.178 80.622 74.075 68.338 63.258 58.710 54.595 50.827 47.337 44.062 40.932 37.680 41.569 46.115 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 119.572 107.393 97.044 88.239 80.686 74.141 68.409 63.335 58.796 54.693 50.944 47.484 44.257 41.199 38.075 38.902 40.355 43.130 47.202 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 119.622 107.449 97.102 88.299 80.747 74.205 68.478 63.410 58.879 54.787 51.056 47.624 44.440 41.449 38.455 37.746 38.217 39.303 41.175 43.775 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 119.669 107.503 97.158 88.356 80.806 74.267 68.544 63.482 58.959 54.879 51.164 47.756 44.611 41.680 38.809 37.131 37.159 37.533 38.350 39.677 41.453 43.422 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 119.712 107.553 97.211 88.411 80.863 74.326 68.608 63.552 59.037 54.966 51.266 47.881 44.770 41.892 39.129 36.774 36.560 36.567 36.853 37.467 38.432 39.697 41.119 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 119.752 107.601 97.262 88.463 80.918 74.384 68.669 63.619 59.112 55.051 51.365 48.000 44.917 42.084 39.414 36.562 36.198 35.991 35.974 36.182 36.639 37.349 38.272 39.323 40.389 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 119.789 107.647 97.311 88.514 80.970 74.440 68.729 63.684 59.184 55.133 51.459 48.111 45.053 42.258 39.662 36.439 35.975 35.631 35.426 35.383 35.522 35.856 36.379 37.063 37.855 38.686 39.494 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 119.823 107.690 97.357 88.563 81.021 74.493 68.787 63.747 59.254 55.212 51.549 48.217 45.179 42.414 39.876 36.373 35.841 35.403 35.073 34.865 34.796 34.877 35.112 35.496 36.007 36.610 37.265 37.932 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 119.854 107.731 97.402 88.610 81.070 74.545 68.842 63.808 59.322 55.288 51.636 48.316 45.296 42.553 40.058 36.347 35.765 35.260 34.842 34.522 34.310 34.216 34.247 34.404 34.681 35.063 35.527 36.047 36.600 37.169 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 119.883 107.770 97.445 88.655 81.117 74.595 68.896 63.867 59.387 55.361 51.719 48.411 45.404 42.677 40.212 36.349 35.729 35.176 34.695 34.293 33.980 33.762 33.645 33.635 33.729 33.924 34.207 34.566 34.982 35.443 35.936 99999.999 99999.999 99999.999 99999.999 99999.999 119.909 107.806 97.485 88.698 81.163 74.643 68.948 63.924 59.451 55.432 51.799 48.501 45.504 42.789 40.341 36.372 35.723 35.132 34.604 34.143 33.755 33.446 33.222 33.085 33.040 33.084 33.214 33.422 33.698 34.034 34.419 34.846 35.313 99999.999 99999.999 99999.999 119.932 107.840 97.524 88.739 81.206 74.690 68.998 63.979 59.512 55.501 51.876 48.586 45.598 42.890 40.450 36.409 35.738 35.119 34.554 34.048 33.604 33.227 32.922 32.691 32.537 32.463 32.467 32.545 32.694 32.906 33.177 33.499 33.869 34.286 99999.999 99999.999 119.953 107.872 97.561 88.779 81.249 74.735 69.047 64.033 59.571 55.568 51.950 48.668 45.687 42.984 40.546 36.457 35.769 35.127 34.535 33.994 33.507 33.078 32.710 32.407 32.170 32.002 31.904 31.875 31.913 32.014 32.175 32.392 32.662 32.982 33.351 33.769 119.971 107.903 97.596 88.817 81.289 74.778 69.094 64.085 59.629 55.632 52.022 48.748 45.772 43.073 40.634 36.513 35.811 35.153 34.538 33.970 33.449 32.980 32.564 32.204 31.902 31.660 31.480 31.363 31.307 31.312 31.375 31.494 31.667 31.891 32.166 32.491 120.031 108.105 97.858 89.115 81.616 75.134 69.484 64.517 60.114 56.178 52.636 49.429 46.516 43.864 41.448 37.245 36.495 35.774 35.080 34.412 33.771 33.155 32.564 31.998 31.457 30.940 30.448 29.981 29.538 29.121 28.729 28.362 28.021 27.706 27.418 27.155 119.904 108.154 97.986 89.289 81.824 75.372 69.755 64.826 60.466 56.582 53.095 49.948 47.093 44.495 42.125 37.977 37.230 36.509 35.811 35.136 34.483 33.851 33.239 32.645 32.071 31.513 30.973 30.449 29.941 29.448 28.970 28.507 28.058 27.622 27.199 26.790 119.629 108.084 98.008 89.365 81.939 75.521 69.936 65.040 60.719 56.878 53.440 50.344 47.542 44.996 42.674 38.608 37.875 37.166 36.479 35.815 35.170 34.546 33.939 33.351 32.778 32.222 31.681 31.153 30.640 30.139 29.649 29.172 28.705 28.248 27.801 27.363 119.236 107.917 97.945 89.363 81.980 75.597 70.044 65.181 60.894 57.091 53.695 50.644 47.890 45.391 43.116 39.135 38.418 37.724 37.052 36.402 35.772 35.160 34.567 33.990 33.430 32.885 32.354 31.837 31.333 30.840 30.359 29.888 29.428 28.976 28.533 28.099 118.748 107.672 97.811 89.296 81.959 75.614 70.093 65.262 61.007 57.238 53.879 50.868 48.156 45.700 43.469 39.570 38.869 38.190 37.534 36.899 36.283 35.686 35.107 34.545 33.999 33.468 32.951 32.447 31.956 31.477 31.008 30.550 30.102 29.663 29.232 28.810 118.181 107.362 97.620 89.175 81.888 75.581 70.094 65.294 61.070 57.332 54.006 51.031 48.357 45.940 43.748 39.926 39.240 38.577 37.935 37.314 36.713 36.131 35.566 35.018 34.486 33.968 33.465 32.975 32.498 32.032 31.578 31.134 30.700 30.274 29.858 29.449 117.548 106.999 97.379 89.009 81.775 75.508 70.055 65.285 61.090 57.382 54.087 51.144 48.503 46.122 43.966 40.216 39.544 38.894 38.266 37.659 37.072 36.503 35.951 35.417 34.898 34.394 33.904 33.427 32.963 32.511 32.069 31.639 31.217 30.806 30.402 30.007 99999.999 106.591 97.098 88.804 81.624 75.400 69.981 65.242 61.076 57.396 54.129 51.216 48.606 46.256 44.133 40.449 39.789 39.153 38.538 37.944 37.369 36.812 36.273 35.751 35.244 34.752 34.275 33.810 33.358 32.918 32.489 32.071 31.662 31.262 30.871 30.488 phlogopite-Na NaMg3AlSi3O12H2 P-T:All Wt.(g/mol) = 401.120 V(cc/mol) = 144.500 D(g/cc) = 2.776 Ref: H&P2011 5 1.000 13 3.000 10 1.000 8 3.000 7 -10.000 1 48.660 42.795 37.704 33.332 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.660 42.795 37.704 33.332 29.560 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.662 42.798 37.706 33.334 29.563 26.276 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.666 42.802 37.710 33.339 29.567 26.281 23.381 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.673 42.809 37.718 33.346 29.575 26.288 23.389 20.797 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.684 42.821 37.729 33.358 29.586 26.300 23.402 20.810 18.459 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.700 42.838 37.747 33.375 29.604 26.318 23.421 20.830 18.481 16.312 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.723 42.862 37.771 33.400 29.629 26.344 23.447 20.859 18.512 16.347 14.296 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.754 42.895 37.805 33.434 29.663 26.379 23.484 20.898 18.555 16.394 14.352 12.367 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.794 42.939 37.849 33.478 29.708 26.425 23.532 20.949 18.611 16.457 14.426 12.457 10.514 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.845 42.994 37.905 33.535 29.765 26.484 23.594 21.015 18.682 16.537 14.520 12.573 10.654 8.812 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.907 43.063 37.976 33.606 29.838 26.559 23.672 21.098 18.773 16.638 14.638 12.719 10.835 8.977 7.490 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.954 43.115 38.030 33.660 29.893 26.615 23.731 21.161 18.841 16.714 14.727 12.828 10.974 9.132 7.294 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.017 43.187 38.104 33.735 29.969 26.694 23.813 21.249 18.936 16.820 14.851 12.981 11.168 9.368 7.418 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.077 43.255 38.175 33.808 30.043 26.770 23.893 21.334 19.028 16.923 14.970 13.127 11.355 9.607 7.687 19.986 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.132 43.320 38.243 33.878 30.114 26.844 23.970 21.416 19.117 17.022 15.085 13.266 11.533 9.840 8.000 11.759 15.276 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.185 43.383 38.308 33.945 30.183 26.915 24.045 21.496 19.204 17.117 15.194 13.399 11.701 10.062 8.318 9.839 11.068 13.271 16.449 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.233 43.442 38.371 34.010 30.250 26.984 24.117 21.573 19.287 17.210 15.300 13.526 11.860 10.272 8.624 9.028 9.536 10.491 12.023 14.098 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.278 43.498 38.432 34.072 30.314 27.050 24.187 21.647 19.368 17.299 15.402 13.646 12.010 10.467 8.910 8.611 8.796 9.229 9.982 11.107 12.566 14.175 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.320 43.552 38.490 34.132 30.376 27.115 24.255 21.719 19.446 17.385 15.499 13.761 12.151 10.647 9.171 8.383 8.391 8.557 8.920 9.519 10.374 11.449 12.643 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.359 43.603 38.545 34.190 30.436 27.177 24.320 21.789 19.522 17.469 15.593 13.870 12.282 10.812 9.405 8.258 8.159 8.168 8.310 8.612 9.092 9.754 10.573 11.486 12.413 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.395 43.651 38.598 34.246 30.494 27.237 24.384 21.857 19.595 17.549 15.684 13.974 12.404 10.963 9.612 8.198 8.027 7.937 7.942 8.061 8.308 8.693 9.214 9.852 10.568 11.314 12.044 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.427 43.697 38.649 34.299 30.549 27.295 24.445 21.923 19.666 17.627 15.771 14.073 12.519 11.100 9.793 8.179 7.958 7.800 7.715 7.714 7.809 8.009 8.319 8.734 9.240 9.812 10.422 11.042 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.457 43.741 38.698 34.351 30.603 27.352 24.505 21.987 19.735 17.703 15.854 14.167 12.626 11.225 9.950 8.187 7.931 7.725 7.577 7.495 7.486 7.559 7.718 7.967 8.300 8.707 9.173 9.679 10.208 10.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.484 43.782 38.745 34.400 30.655 27.406 24.563 22.048 19.802 17.776 15.935 14.256 12.726 11.338 10.085 8.216 7.933 7.692 7.498 7.357 7.275 7.258 7.310 7.436 7.635 7.903 8.235 8.619 9.045 9.502 9.982 99999.999 99999.999 99999.999 99999.999 99999.999 49.508 43.820 38.789 34.448 30.705 27.459 24.618 22.108 19.867 17.847 16.013 14.342 12.820 11.441 10.202 8.258 7.955 7.688 7.460 7.276 7.141 7.058 7.032 7.066 7.162 7.321 7.539 7.811 8.132 8.494 8.891 9.319 9.774 99999.999 99999.999 99999.999 49.530 43.857 38.832 34.494 30.754 27.510 24.672 22.166 19.930 17.916 16.088 14.424 12.909 11.537 10.304 8.310 7.991 7.704 7.451 7.235 7.060 6.928 6.843 6.808 6.826 6.898 7.024 7.201 7.427 7.697 8.008 8.355 8.737 9.151 99999.999 99999.999 49.548 43.891 38.872 34.538 30.800 27.559 24.725 22.223 19.991 17.983 16.161 14.503 12.994 11.626 10.396 8.369 8.039 7.736 7.463 7.223 7.016 6.847 6.718 6.631 6.588 6.592 6.644 6.742 6.886 7.074 7.304 7.573 7.878 8.219 8.594 9.005 49.565 43.924 38.911 34.580 30.845 27.607 24.776 22.277 20.051 18.047 16.232 14.580 13.076 11.711 10.482 8.434 8.094 7.779 7.491 7.231 7.001 6.803 6.639 6.511 6.422 6.373 6.365 6.398 6.474 6.591 6.749 6.945 7.178 7.447 7.752 8.092 49.602 44.141 39.205 34.916 31.212 28.002 25.201 22.739 20.555 18.602 16.840 15.243 13.790 12.467 11.263 9.174 8.804 8.448 8.107 7.779 7.466 7.167 6.881 6.608 6.350 6.105 5.874 5.658 5.456 5.268 5.096 4.940 4.799 4.674 4.566 4.474 49.445 44.197 39.354 35.120 31.453 28.274 25.505 23.076 20.929 19.018 17.303 15.754 14.349 13.071 11.907 9.872 9.507 9.154 8.814 8.484 8.166 7.858 7.560 7.272 6.992 6.722 6.460 6.206 5.960 5.722 5.492 5.268 5.052 4.843 4.641 4.446 49.136 44.125 39.390 35.217 31.594 28.450 25.712 23.315 21.203 19.328 17.654 16.148 14.787 13.552 12.428 10.465 10.113 9.772 9.442 9.123 8.813 8.513 8.223 7.940 7.666 7.399 7.139 6.886 6.638 6.397 6.162 5.931 5.705 5.484 5.267 5.054 48.702 43.948 39.331 35.229 31.653 28.547 25.842 23.477 21.396 19.556 17.918 16.450 15.129 13.934 12.849 10.959 10.620 10.292 9.975 9.669 9.372 9.084 8.805 8.534 8.270 8.014 7.764 7.520 7.282 7.050 6.822 6.599 6.380 6.165 5.954 5.745 48.167 43.685 39.195 35.168 31.645 28.579 25.909 23.575 21.525 19.716 18.111 16.678 15.393 14.234 13.186 11.366 11.040 10.725 10.422 10.128 9.844 9.569 9.302 9.043 8.792 8.547 8.310 8.078 7.852 7.631 7.414 7.203 6.995 6.791 6.590 6.393 47.548 43.351 38.995 35.048 31.580 28.557 25.922 23.619 21.600 19.821 18.246 16.845 15.593 14.468 13.453 11.698 11.386 11.084 10.792 10.511 10.239 9.976 9.722 9.475 9.236 9.003 8.777 8.557 8.343 8.134 7.930 7.730 7.534 7.342 7.153 6.967 46.857 42.955 38.738 34.875 31.466 28.488 25.890 23.619 21.630 19.879 18.333 16.962 15.740 14.645 13.661 11.968 11.667 11.378 11.098 10.829 10.568 10.317 10.074 9.838 9.610 9.389 9.175 8.966 8.763 8.565 8.372 8.183 7.998 7.817 7.640 7.466 99999.999 42.508 38.434 34.658 31.311 28.379 25.818 23.581 21.621 19.898 18.380 17.036 15.841 14.776 13.820 12.185 11.895 11.616 11.348 11.089 10.840 10.599 10.366 10.142 9.924 9.714 9.509 9.311 9.118 8.931 8.748 8.570 8.396 8.225 8.058 7.894 piemontite(ordered) Ca2Al2MnSi3O13H P-T:All Wt.(g/mol) = 482.304 V(cc/mol) = 138.200 D(g/cc) = 3.490 Ref: H&P2011 7 2.000 9 2.000 8 3.000 7 0.500 2 0.250 31 1.000 14 -12.000 1 38.265 32.803 28.026 23.891 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.265 32.803 28.026 23.891 20.292 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.268 32.806 28.028 23.894 20.295 17.127 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.272 32.811 28.033 23.898 20.300 17.132 14.305 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.279 32.819 28.041 23.907 20.308 17.141 14.314 11.753 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.291 32.831 28.054 23.919 20.321 17.154 14.328 11.768 9.414 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.309 32.850 28.073 23.939 20.341 17.174 14.349 11.791 9.439 7.232 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.333 32.877 28.100 23.966 20.368 17.203 14.379 11.823 9.474 7.272 5.151 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.367 32.913 28.137 24.003 20.406 17.242 14.420 11.867 9.522 7.326 5.215 3.124 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.411 32.960 28.185 24.052 20.456 17.293 14.474 11.925 9.585 7.397 5.299 3.228 1.154 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.466 33.021 28.247 24.115 20.520 17.359 14.543 11.999 9.667 7.489 5.407 3.362 1.315 -0.658 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.534 33.097 28.325 24.194 20.600 17.442 14.631 12.093 9.769 7.604 5.543 3.530 1.523 -0.475 -2.004 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.585 33.154 28.384 24.253 20.661 17.505 14.697 12.164 9.846 7.691 5.645 3.657 1.684 -0.300 -2.277 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.654 33.232 28.465 24.336 20.745 17.592 14.789 12.263 9.954 7.812 5.787 3.833 1.909 -0.028 -2.158 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.719 33.307 28.543 24.416 20.827 17.677 14.879 12.359 10.059 7.929 5.924 4.002 2.126 0.249 -1.853 13.998 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.780 33.379 28.619 24.493 20.906 17.759 14.965 12.451 10.160 8.041 6.055 4.163 2.333 0.521 -1.491 3.640 8.145 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.837 33.447 28.691 24.568 20.983 17.839 15.049 12.541 10.257 8.150 6.181 4.316 2.529 0.780 -1.119 1.206 2.834 5.687 9.781 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.890 33.512 28.760 24.639 21.057 17.915 15.130 12.628 10.352 8.256 6.302 4.462 2.714 1.025 -0.760 0.166 0.887 2.167 4.174 6.871 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.939 33.574 28.827 24.708 21.128 17.990 15.208 12.712 10.443 8.357 6.419 4.602 2.887 1.252 -0.425 -0.378 -0.065 0.557 1.581 3.073 4.989 7.103 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.985 33.633 28.891 24.775 21.197 18.062 15.284 12.793 10.532 8.456 6.531 4.734 3.050 1.462 -0.119 -0.685 -0.594 -0.310 0.221 1.049 2.197 3.625 5.209 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.028 33.689 28.952 24.839 21.263 18.131 15.358 12.872 10.618 8.551 6.638 4.860 3.202 1.655 0.155 -0.859 -0.906 -0.819 -0.567 -0.116 0.558 1.461 2.561 3.784 5.028 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.067 33.743 29.011 24.901 21.328 18.198 15.429 12.949 10.701 8.643 6.742 4.979 3.344 1.830 0.397 -0.952 -1.090 -1.129 -1.050 -0.831 -0.453 0.099 0.821 1.690 2.658 3.666 4.657 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.103 33.793 29.067 24.960 21.390 18.263 15.498 13.023 10.782 8.732 6.841 5.092 3.476 1.989 0.608 -0.993 -1.194 -1.319 -1.355 -1.287 -1.102 -0.785 -0.332 0.252 0.951 1.734 2.564 3.407 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.136 33.841 29.121 25.017 21.450 18.326 15.565 13.095 10.860 8.818 6.937 5.200 3.599 2.132 0.790 -0.997 -1.244 -1.430 -1.547 -1.583 -1.529 -1.374 -1.112 -0.739 -0.261 0.310 0.953 1.647 2.370 3.106 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.166 33.887 29.172 25.072 21.508 18.387 15.629 13.165 10.936 8.902 7.030 5.303 3.715 2.263 0.946 -0.977 -1.258 -1.489 -1.663 -1.774 -1.813 -1.773 -1.647 -1.431 -1.124 -0.730 -0.258 0.278 0.866 1.491 2.145 99999.999 99999.999 99999.999 99999.999 99999.999 39.192 33.930 29.222 25.125 21.564 18.446 15.692 13.232 11.010 8.982 7.119 5.402 3.823 2.382 1.081 -0.938 -1.245 -1.510 -1.727 -1.893 -2.000 -2.044 -2.018 -1.918 -1.741 -1.488 -1.162 -0.768 -0.315 0.188 0.733 1.314 1.929 99999.999 99999.999 99999.999 39.216 33.970 29.269 25.176 21.617 18.503 15.753 13.298 11.082 9.061 7.205 5.496 3.925 2.491 1.197 -0.886 -1.213 -1.504 -1.754 -1.961 -2.120 -2.226 -2.275 -2.262 -2.186 -2.043 -1.835 -1.563 -1.232 -0.846 -0.411 0.067 0.586 1.144 99999.999 99999.999 39.237 34.008 29.314 25.225 21.669 18.558 15.812 13.361 11.151 9.137 7.289 5.587 4.022 2.593 1.301 -0.824 -1.167 -1.478 -1.754 -1.993 -2.191 -2.344 -2.450 -2.505 -2.505 -2.449 -2.336 -2.165 -1.938 -1.657 -1.326 -0.948 -0.526 -0.062 0.443 0.989 39.255 34.044 29.357 25.272 21.720 18.612 15.869 13.423 11.218 9.211 7.370 5.675 4.116 2.690 1.399 -0.756 -1.111 -1.437 -1.733 -1.997 -2.225 -2.416 -2.566 -2.673 -2.734 -2.746 -2.708 -2.619 -2.479 -2.290 -2.051 -1.766 -1.436 -1.063 -0.648 -0.191 39.302 34.288 29.685 25.648 22.131 19.056 16.350 13.947 11.793 9.845 8.068 6.438 4.938 3.559 2.292 0.071 -0.327 -0.709 -1.076 -1.429 -1.767 -2.090 -2.399 -2.694 -2.973 -3.237 -3.486 -3.719 -3.935 -4.135 -4.318 -4.482 -4.629 -4.757 -4.866 -4.956 39.140 34.358 29.857 25.879 22.404 19.366 16.695 14.331 12.221 10.323 8.600 7.028 5.585 4.258 3.036 0.871 0.478 0.098 -0.271 -0.629 -0.977 -1.314 -1.641 -1.959 -2.268 -2.568 -2.859 -3.143 -3.418 -3.685 -3.945 -4.197 -4.442 -4.680 -4.910 -5.134 38.811 34.288 29.905 25.995 22.568 19.568 16.934 14.607 12.537 10.682 9.007 7.485 6.094 4.817 3.643 1.559 1.180 0.812 0.455 0.107 -0.231 -0.560 -0.881 -1.193 -1.498 -1.796 -2.088 -2.373 -2.652 -2.926 -3.195 -3.459 -3.719 -3.974 -4.226 -4.474 38.350 34.105 29.851 26.017 22.643 19.685 17.088 14.796 12.763 10.948 9.316 7.839 6.494 5.264 4.135 2.136 1.772 1.419 1.076 0.743 0.419 0.103 -0.204 -0.504 -0.798 -1.084 -1.365 -1.640 -1.909 -2.174 -2.435 -2.692 -2.945 -3.194 -3.441 -3.686 37.779 33.829 29.712 25.961 22.644 19.731 17.171 14.915 12.918 11.138 9.545 8.108 6.805 5.618 4.532 2.614 2.266 1.928 1.600 1.282 0.972 0.671 0.378 0.092 -0.188 -0.460 -0.727 -0.989 -1.246 -1.498 -1.745 -1.989 -2.230 -2.468 -2.702 -2.935 37.117 33.475 29.503 25.839 22.582 19.716 17.196 14.976 13.012 11.267 9.708 8.309 7.044 5.896 4.849 3.008 2.675 2.352 2.038 1.734 1.439 1.152 0.873 0.600 0.335 0.076 -0.178 -0.425 -0.668 -0.907 -1.141 -1.372 -1.599 -1.823 -2.044 -2.263 36.378 33.056 29.234 25.660 22.468 19.651 17.172 14.987 13.057 11.344 9.818 8.452 7.223 6.111 5.100 3.330 3.011 2.701 2.402 2.112 1.830 1.556 1.290 1.031 0.779 0.533 0.292 0.057 -0.173 -0.398 -0.619 -0.837 -1.051 -1.262 -1.470 -1.676 99999.999 32.582 28.914 25.434 22.308 19.541 17.104 14.956 13.058 11.378 9.883 8.548 7.351 6.271 5.294 3.590 3.284 2.988 2.701 2.424 2.155 1.893 1.640 1.393 1.153 0.919 0.691 0.468 0.250 0.037 -0.173 -0.378 -0.580 -0.779 -0.975 -1.169 piemontite(ordered) Ca2Al2MnSi3O13H P-T:All Wt.(g/mol) = 482.304 V(cc/mol) = 138.200 D(g/cc) = 3.490 Ref: H&P2011 8 1.000 14 0.125 4 2.000 9 2.000 8 3.000 7 0.500 2 -11.875 1 -0.125 6 57.277 50.093 43.831 38.405 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.278 50.093 43.831 38.405 33.674 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.280 50.096 43.833 38.408 33.676 29.504 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.285 50.101 43.838 38.413 33.681 29.510 25.785 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.293 50.109 43.847 38.422 33.690 29.519 25.795 22.425 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.306 50.123 43.861 38.436 33.704 29.533 25.810 22.441 19.353 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.325 50.143 43.881 38.456 33.725 29.554 25.832 22.465 19.379 16.500 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.352 50.172 43.910 38.485 33.754 29.585 25.864 22.499 19.416 16.542 13.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.388 50.211 43.950 38.525 33.795 29.626 25.907 22.546 19.467 16.599 13.868 11.198 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.436 50.263 44.002 38.578 33.848 29.681 25.964 22.607 19.533 16.674 13.956 11.308 8.686 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.497 50.328 44.069 38.645 33.916 29.751 26.038 22.686 19.619 16.771 14.070 11.448 8.856 6.352 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.572 50.411 44.153 38.730 34.002 29.840 26.131 22.785 19.727 16.892 14.212 11.625 9.076 6.555 4.480 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.628 50.472 44.216 38.794 34.067 29.907 26.201 22.860 19.809 16.983 14.320 11.758 9.245 6.743 4.241 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.705 50.558 44.305 38.883 34.158 30.001 26.300 22.965 19.923 17.111 14.469 11.943 9.481 7.032 4.393 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.777 50.640 44.390 38.970 34.247 30.092 26.395 23.067 20.034 17.234 14.613 12.120 9.709 7.324 4.723 19.332 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.846 50.719 44.472 39.053 34.332 30.180 26.488 23.165 20.141 17.354 14.751 12.289 9.925 7.608 5.107 9.243 13.458 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.910 50.795 44.551 39.134 34.415 30.265 26.577 23.261 20.245 17.469 14.884 12.450 10.131 7.880 5.497 6.887 8.298 10.903 14.701 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.971 50.867 44.627 39.212 34.494 30.348 26.664 23.354 20.345 17.580 15.012 12.604 10.324 8.136 5.873 5.892 6.420 7.494 9.276 11.723 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.028 50.936 44.700 39.288 34.572 30.428 26.748 23.444 20.443 17.688 15.135 12.750 10.507 8.374 6.223 5.380 5.511 5.946 6.773 8.057 9.749 11.624 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.082 51.002 44.771 39.360 34.647 30.506 26.830 23.531 20.537 17.792 15.254 12.889 10.678 8.594 6.543 5.099 5.013 5.120 5.470 6.110 7.061 8.283 9.651 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.132 51.065 44.838 39.431 34.719 30.581 26.909 23.615 20.629 17.893 15.367 13.022 10.837 8.796 6.829 4.945 4.728 4.643 4.722 4.996 5.490 6.207 7.115 8.139 9.180 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.178 51.126 44.904 39.499 34.790 30.654 26.986 23.698 20.718 17.991 15.477 13.148 10.987 8.980 7.082 4.870 4.565 4.358 4.270 4.320 4.528 4.905 5.450 6.137 6.920 7.740 8.542 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.222 51.183 44.967 39.564 34.858 30.725 27.061 23.777 20.804 18.086 15.583 13.268 11.126 9.148 7.304 4.846 4.479 4.190 3.991 3.895 3.916 4.067 4.352 4.766 5.292 5.900 6.555 7.221 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.262 51.238 45.027 39.628 34.923 30.793 27.133 23.855 20.888 18.178 15.685 13.382 11.256 9.299 7.496 4.855 4.445 4.098 3.821 3.625 3.519 3.514 3.615 3.826 4.140 4.546 5.023 5.551 6.108 6.679 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.299 51.290 45.085 39.689 34.987 30.860 27.203 23.930 20.969 18.267 15.783 13.491 11.379 9.437 7.661 4.889 4.447 4.056 3.723 3.456 3.260 3.144 3.114 3.174 3.324 3.561 3.874 4.253 4.682 5.151 5.649 99999.999 99999.999 99999.999 99999.999 99999.999 58.333 51.340 45.141 39.748 35.049 30.924 27.271 24.003 21.048 18.353 15.878 13.596 11.493 9.564 7.804 4.940 4.473 4.050 3.676 3.356 3.095 2.899 2.772 2.720 2.745 2.846 3.021 3.262 3.564 3.916 4.312 4.746 5.215 99999.999 99999.999 99999.999 58.364 51.387 45.194 39.805 35.108 30.987 27.338 24.074 21.125 18.437 15.970 13.696 11.602 9.680 7.929 5.003 4.517 4.070 3.665 3.305 2.995 2.738 2.540 2.404 2.333 2.328 2.389 2.514 2.699 2.939 3.230 3.565 3.943 4.362 99999.999 99999.999 58.392 51.432 45.246 39.860 35.166 31.048 27.402 24.143 21.200 18.519 16.059 13.793 11.706 9.789 8.041 5.076 4.575 4.108 3.679 3.289 2.941 2.639 2.387 2.186 2.041 1.953 1.923 1.951 2.036 2.176 2.367 2.606 2.891 3.219 3.592 4.008 58.418 51.475 45.295 39.913 35.222 31.107 27.464 24.210 21.273 18.598 16.145 13.887 11.806 9.893 8.145 5.155 4.642 4.161 3.712 3.299 2.922 2.585 2.290 2.040 1.837 1.683 1.581 1.530 1.531 1.583 1.685 1.836 2.032 2.273 2.558 2.887 58.537 51.786 45.685 40.347 35.689 31.604 27.997 24.784 21.898 19.282 16.894 14.702 12.683 10.821 9.103 6.062 5.512 4.980 4.466 3.970 3.491 3.030 2.585 2.158 1.747 1.354 0.979 0.621 0.282 -0.039 -0.341 -0.623 -0.886 -1.128 -1.350 -1.551 58.445 51.919 45.917 40.635 36.015 31.964 28.391 25.216 22.373 19.807 17.474 15.340 13.379 11.571 9.900 6.923 6.380 5.852 5.339 4.840 4.354 3.882 3.423 2.975 2.539 2.115 1.701 1.298 0.904 0.521 0.148 -0.217 -0.571 -0.917 -1.254 -1.583 58.186 51.912 46.023 40.804 36.230 32.216 28.677 25.537 22.732 20.210 17.925 15.841 13.932 12.175 10.554 7.663 7.134 6.619 6.119 5.632 5.158 4.695 4.244 3.804 3.374 2.953 2.542 2.139 1.744 1.357 0.976 0.603 0.236 -0.125 -0.480 -0.830 57.793 51.791 46.025 40.879 36.354 32.380 28.876 25.770 23.001 20.517 18.274 16.236 14.373 12.664 11.089 8.284 7.771 7.273 6.788 6.316 5.857 5.409 4.972 4.545 4.128 3.720 3.320 2.929 2.545 2.168 1.797 1.433 1.074 0.721 0.372 0.027 57.289 51.575 45.942 40.874 36.404 32.471 29.003 25.931 23.197 20.748 18.542 16.544 14.724 13.057 11.525 8.803 8.306 7.824 7.354 6.898 6.454 6.021 5.598 5.186 4.784 4.390 4.005 3.628 3.258 2.895 2.538 2.187 1.842 1.501 1.166 0.834 56.694 51.281 45.787 40.803 36.390 32.501 29.071 26.033 23.331 20.915 18.744 16.782 14.999 13.372 11.879 9.235 8.753 8.285 7.831 7.389 6.960 6.541 6.133 5.735 5.347 4.968 4.597 4.234 3.878 3.529 3.187 2.850 2.519 2.193 1.871 1.554 56.022 50.921 45.572 40.674 36.322 32.480 29.087 26.084 23.414 21.029 18.890 16.961 15.213 13.621 12.165 9.592 9.125 8.671 8.231 7.803 7.387 6.982 6.587 6.203 5.828 5.462 5.105 4.755 4.413 4.077 3.748 3.425 3.107 2.794 2.486 2.183 99999.999 50.505 45.304 40.496 36.207 32.413 29.061 26.091 23.453 21.099 18.990 17.092 15.375 13.816 12.393 9.886 9.432 8.991 8.564 8.149 7.745 7.353 6.971 6.600 6.237 5.884 5.539 5.201 4.871 4.548 4.231 3.920 3.615 3.314 3.019 2.727 prehnite Ca2Al2Si3O12H2 P-T:All Wt.(g/mol) = 412.390 V(cc/mol) = 140.260 D(g/cc) = 2.940 Ref: H&P2011 4 2.000 9 2.000 8 3.000 7 -10.000 1 35.955 30.928 26.499 22.646 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.955 30.928 26.499 22.646 19.277 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.958 30.930 26.501 22.648 19.279 16.302 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.962 30.935 26.506 22.653 19.284 16.307 13.642 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.969 30.943 26.514 22.661 19.292 16.316 13.651 11.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.981 30.956 26.527 22.674 19.305 16.329 13.664 11.245 9.016 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.999 30.975 26.546 22.693 19.325 16.349 13.685 11.267 9.040 6.949 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.024 31.002 26.574 22.721 19.352 16.377 13.714 11.298 9.073 6.987 4.979 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.058 31.039 26.611 22.758 19.390 16.416 13.755 11.341 9.119 7.038 5.039 3.066 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.102 31.087 26.660 22.808 19.440 16.467 13.808 11.397 9.180 7.105 5.118 3.162 1.208 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.158 31.149 26.723 22.871 19.504 16.532 13.876 11.469 9.258 7.192 5.218 3.285 1.355 -0.509 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.228 31.226 26.803 22.951 19.585 16.615 13.962 11.560 9.356 7.301 5.345 3.439 1.545 -0.339 -1.826 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.280 31.285 26.863 23.012 19.646 16.678 14.027 11.629 9.431 7.383 5.441 3.556 1.691 -0.180 -2.046 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.351 31.366 26.946 23.096 19.732 16.766 14.119 11.726 9.535 7.499 5.574 3.718 1.895 0.066 -1.929 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.419 31.443 27.027 23.178 19.815 16.851 14.207 11.820 9.636 7.610 5.702 3.874 2.093 0.316 -1.653 11.622 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.483 31.518 27.105 23.257 19.896 16.933 14.293 11.911 9.734 7.718 5.825 4.023 2.281 0.560 -1.329 2.749 6.549 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.543 31.589 27.180 23.334 19.974 17.013 14.377 11.999 9.828 7.822 5.944 4.165 2.460 0.794 -0.997 0.681 2.012 4.395 7.851 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.600 31.658 27.252 23.408 20.049 17.091 14.458 12.085 9.920 7.923 6.059 4.301 2.629 1.015 -0.677 -0.195 0.360 1.394 3.053 5.309 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.653 31.724 27.322 23.480 20.123 17.167 14.536 12.168 10.010 8.021 6.169 4.431 2.789 1.221 -0.378 -0.648 -0.441 0.031 0.847 2.066 3.651 5.410 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.704 31.787 27.389 23.549 20.194 17.240 14.613 12.249 10.096 8.115 6.275 4.554 2.938 1.412 -0.105 -0.897 -0.881 -0.698 -0.303 0.346 1.271 2.438 3.742 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.751 31.847 27.454 23.616 20.262 17.311 14.687 12.327 10.180 8.207 6.377 4.672 3.079 1.587 0.141 -1.034 -1.135 -1.120 -0.964 -0.638 -0.119 0.597 1.484 2.478 3.494 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.795 31.905 27.517 23.681 20.329 17.380 14.759 12.403 10.262 8.296 6.476 4.784 3.210 1.747 0.359 -1.103 -1.281 -1.374 -1.365 -1.237 -0.970 -0.555 0.007 0.696 1.472 2.285 3.085 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.836 31.960 27.577 23.744 20.394 17.447 14.829 12.477 10.342 8.382 6.571 4.891 3.333 1.893 0.550 -1.126 -1.358 -1.524 -1.614 -1.614 -1.513 -1.299 -0.968 -0.523 0.022 0.639 1.300 1.973 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.874 32.013 27.635 23.805 20.457 17.512 14.897 12.549 10.419 8.466 6.663 4.993 3.448 2.026 0.716 -1.120 -1.390 -1.608 -1.766 -1.855 -1.866 -1.791 -1.622 -1.359 -1.004 -0.569 -0.070 0.474 1.045 1.629 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.910 32.063 27.691 23.863 20.518 17.575 14.963 12.619 10.494 8.547 6.752 5.091 3.557 2.147 0.859 -1.092 -1.391 -1.647 -1.855 -2.007 -2.098 -2.120 -2.068 -1.938 -1.730 -1.446 -1.095 -0.687 -0.234 0.254 0.767 99999.999 99999.999 99999.999 99999.999 99999.999 36.942 32.112 27.745 23.920 20.577 17.636 15.027 12.687 10.567 8.626 6.838 5.185 3.659 2.258 0.984 -1.049 -1.370 -1.655 -1.899 -2.098 -2.246 -2.340 -2.373 -2.343 -2.246 -2.084 -1.857 -1.572 -1.235 -0.853 -0.434 0.018 0.501 99999.999 99999.999 99999.999 36.972 32.158 27.797 23.975 20.634 17.696 15.089 12.753 10.638 8.703 6.921 5.275 3.755 2.361 1.093 -0.994 -1.333 -1.639 -1.912 -2.146 -2.338 -2.485 -2.582 -2.626 -2.615 -2.546 -2.421 -2.240 -2.008 -1.727 -1.404 -1.041 -0.643 -0.209 99999.999 99999.999 37.000 32.201 27.847 24.028 20.689 17.753 15.150 12.818 10.707 8.777 7.002 5.362 3.848 2.457 1.192 -0.932 -1.284 -1.607 -1.901 -2.162 -2.388 -2.575 -2.721 -2.822 -2.877 -2.882 -2.838 -2.744 -2.601 -2.411 -2.177 -1.901 -1.586 -1.234 -0.846 -0.420 37.025 32.243 27.895 24.080 20.743 17.809 15.209 12.880 10.774 8.850 7.080 5.446 3.937 2.550 1.284 -0.864 -1.226 -1.563 -1.874 -2.156 -2.407 -2.626 -2.810 -2.955 -3.061 -3.125 -3.145 -3.121 -3.053 -2.941 -2.786 -2.591 -2.356 -2.082 -1.772 -1.425 37.151 32.554 28.281 24.505 21.196 18.288 15.716 13.421 11.356 9.480 7.763 6.183 4.724 3.376 2.131 -0.072 -0.469 -0.853 -1.224 -1.581 -1.926 -2.257 -2.575 -2.880 -3.171 -3.449 -3.713 -3.963 -4.199 -4.420 -4.625 -4.815 -4.988 -5.145 -5.286 -5.410 37.086 32.704 28.522 24.797 21.521 18.641 16.097 13.833 11.803 9.969 8.297 6.764 5.352 4.048 2.842 0.687 0.293 -0.090 -0.461 -0.823 -1.175 -1.517 -1.850 -2.175 -2.491 -2.799 -3.099 -3.392 -3.677 -3.955 -4.225 -4.489 -4.746 -4.996 -5.240 -5.477 36.870 32.726 28.648 24.981 21.745 18.896 16.380 14.146 12.148 10.349 8.716 7.225 5.856 4.594 3.427 1.341 0.959 0.587 0.225 -0.127 -0.471 -0.806 -1.134 -1.453 -1.766 -2.072 -2.372 -2.666 -2.954 -3.237 -3.515 -3.788 -4.058 -4.323 -4.584 -4.842 36.532 32.643 28.680 25.078 21.886 19.071 16.585 14.379 12.410 10.643 9.045 7.592 6.261 5.038 3.909 1.894 1.525 1.166 0.817 0.476 0.144 -0.179 -0.496 -0.805 -1.107 -1.403 -1.694 -1.979 -2.258 -2.534 -2.805 -3.071 -3.335 -3.595 -3.852 -4.106 36.094 32.475 28.634 25.102 21.958 19.180 16.724 14.547 12.607 10.869 9.302 7.882 6.586 5.399 4.305 2.359 2.003 1.657 1.320 0.992 0.672 0.361 0.057 -0.240 -0.531 -0.816 -1.094 -1.368 -1.636 -1.900 -2.160 -2.416 -2.669 -2.918 -3.165 -3.409 35.573 32.234 28.521 25.065 21.972 19.232 16.809 14.660 12.748 11.037 9.499 8.109 6.845 5.690 4.630 2.747 2.404 2.070 1.745 1.430 1.122 0.822 0.530 0.245 -0.034 -0.307 -0.574 -0.836 -1.093 -1.345 -1.594 -1.838 -2.079 -2.317 -2.552 -2.784 34.982 31.933 28.354 24.976 21.937 19.238 16.848 14.728 12.843 11.158 9.647 8.285 7.050 5.924 4.894 3.071 2.739 2.417 2.104 1.800 1.504 1.215 0.934 0.660 0.392 0.130 -0.126 -0.377 -0.623 -0.864 -1.101 -1.335 -1.565 -1.791 -2.015 -2.236 99999.999 31.580 28.138 24.842 21.859 19.202 16.846 14.756 12.898 11.239 9.753 8.416 7.208 6.109 5.107 3.339 3.018 2.707 2.405 2.111 1.826 1.548 1.277 1.013 0.756 0.504 0.258 0.018 -0.218 -0.449 -0.676 -0.899 -1.119 -1.336 -1.549 -1.760 prehnite-Fe Ca2AlFeSi3O12H2 P-T:All Wt.(g/mol) = 441.242 V(cc/mol) = 148.000 D(g/cc) = 2.981 Ref: H&P2011 7 1.000 11 2.000 9 3.000 7 0.250 31 1.000 8 -0.500 2 -9.000 1 18.297 15.533 13.057 10.902 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.297 15.533 13.057 10.902 9.028 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.299 15.536 13.059 10.904 9.030 7.382 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.303 15.540 13.063 10.909 9.034 7.386 5.915 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.310 15.547 13.070 10.916 9.041 7.393 5.922 4.585 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.320 15.558 13.081 10.927 9.052 7.405 5.934 4.598 3.361 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.336 15.575 13.098 10.944 9.069 7.422 5.952 4.617 3.381 2.207 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.358 15.598 13.122 10.968 9.093 7.446 5.977 4.644 3.410 2.239 1.089 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.388 15.631 13.155 11.000 9.126 7.480 6.012 4.680 3.450 2.283 1.141 -0.022 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.427 15.673 13.198 11.043 9.169 7.524 6.058 4.729 3.502 2.341 1.208 0.060 -1.128 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.476 15.727 13.253 11.098 9.225 7.581 6.117 4.791 3.569 2.416 1.294 0.165 -1.001 -2.162 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.538 15.795 13.321 11.168 9.295 7.652 6.191 4.870 3.653 2.509 1.403 0.297 -0.838 -2.008 -2.933 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.583 15.845 13.373 11.220 9.348 7.706 6.247 4.929 3.717 2.580 1.484 0.397 -0.713 -1.868 -3.078 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.645 15.915 13.446 11.293 9.422 7.782 6.326 5.012 3.806 2.678 1.598 0.535 -0.539 -1.655 -2.954 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.704 15.983 13.515 11.364 9.493 7.855 6.402 5.092 3.892 2.773 1.707 0.667 -0.371 -1.442 -2.709 8.026 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.759 16.047 13.582 11.432 9.562 7.926 6.475 5.170 3.976 2.865 1.812 0.794 -0.211 -1.234 -2.431 1.280 4.269 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.811 16.108 13.646 11.497 9.629 7.995 6.547 5.245 4.057 2.954 1.913 0.915 -0.059 -1.035 -2.149 -0.290 0.822 2.725 5.402 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.860 16.167 13.708 11.561 9.694 8.061 6.616 5.318 4.135 3.040 2.011 1.030 0.084 -0.849 -1.878 -0.946 -0.427 0.454 1.800 3.576 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.905 16.223 13.768 11.622 9.756 8.125 6.683 5.389 4.211 3.123 2.104 1.140 0.219 -0.674 -1.625 -1.277 -1.023 -0.572 0.138 1.146 2.415 3.789 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.947 16.276 13.825 11.681 9.817 8.188 6.748 5.458 4.285 3.204 2.195 1.245 0.346 -0.513 -1.395 -1.452 -1.344 -1.112 -0.722 -0.143 0.638 1.591 2.628 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.986 16.327 13.880 11.737 9.875 8.248 6.811 5.524 4.356 3.281 2.281 1.345 0.465 -0.365 -1.187 -1.542 -1.523 -1.419 -1.210 -0.876 -0.399 0.221 0.961 1.770 2.578 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.023 16.375 13.933 11.792 9.932 8.306 6.872 5.589 4.426 3.357 2.365 1.440 0.576 -0.229 -1.003 -1.580 -1.620 -1.598 -1.501 -1.316 -1.029 -0.634 -0.133 0.457 1.103 1.765 2.406 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.056 16.421 13.983 11.845 9.986 8.363 6.931 5.652 4.493 3.430 2.446 1.530 0.681 -0.105 -0.841 -1.585 -1.665 -1.698 -1.675 -1.587 -1.425 -1.181 -0.852 -0.441 0.038 0.566 1.118 1.671 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.087 16.465 14.032 11.896 10.039 8.418 6.988 5.712 4.558 3.501 2.523 1.617 0.778 0.008 -0.700 -1.566 -1.675 -1.747 -1.776 -1.756 -1.678 -1.538 -1.331 -1.055 -0.714 -0.318 0.122 0.589 1.069 1.554 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.115 16.507 14.078 11.945 10.090 8.471 7.044 5.771 4.621 3.569 2.598 1.700 0.870 0.111 -0.577 -1.532 -1.663 -1.763 -1.830 -1.856 -1.839 -1.772 -1.652 -1.476 -1.244 -0.958 -0.626 -0.255 0.146 0.568 1.004 99999.999 99999.999 99999.999 99999.999 99999.999 19.141 16.546 14.123 11.993 10.139 8.522 7.098 5.829 4.683 3.636 2.671 1.779 0.957 0.206 -0.471 -1.487 -1.634 -1.756 -1.849 -1.911 -1.938 -1.924 -1.868 -1.766 -1.617 -1.421 -1.179 -0.897 -0.579 -0.231 0.142 0.535 0.949 99999.999 99999.999 99999.999 19.164 16.583 14.166 12.038 10.187 8.572 7.150 5.884 4.742 3.700 2.741 1.855 1.039 0.293 -0.377 -1.433 -1.593 -1.731 -1.846 -1.934 -1.993 -2.019 -2.011 -1.965 -1.879 -1.753 -1.586 -1.380 -1.138 -0.863 -0.558 -0.226 0.130 0.511 99999.999 99999.999 19.185 16.619 14.207 12.082 10.233 8.620 7.201 5.938 4.800 3.763 2.809 1.928 1.117 0.376 -0.292 -1.374 -1.544 -1.694 -1.825 -1.933 -2.017 -2.074 -2.102 -2.098 -2.062 -1.990 -1.884 -1.741 -1.565 -1.355 -1.115 -0.845 -0.548 -0.225 0.124 0.499 19.203 16.652 14.246 12.124 10.277 8.666 7.250 5.990 4.857 3.824 2.875 1.999 1.192 0.454 -0.213 -1.311 -1.488 -1.649 -1.792 -1.915 -2.018 -2.099 -2.155 -2.184 -2.186 -2.158 -2.099 -2.009 -1.888 -1.735 -1.553 -1.341 -1.102 -0.835 -0.542 -0.223 19.270 16.886 14.550 12.465 10.645 9.057 7.666 6.436 5.338 4.347 3.444 2.616 1.853 1.152 0.509 -0.616 -0.817 -1.009 -1.194 -1.371 -1.540 -1.702 -1.856 -2.002 -2.140 -2.269 -2.391 -2.503 -2.606 -2.699 -2.783 -2.856 -2.918 -2.969 -3.009 -3.038 19.155 16.970 14.718 12.682 10.894 9.333 7.968 6.766 5.700 4.745 3.881 3.094 2.373 1.711 1.102 0.027 -0.168 -0.357 -0.540 -0.717 -0.889 -1.056 -1.219 -1.376 -1.530 -1.679 -1.824 -1.965 -2.102 -2.236 -2.366 -2.492 -2.614 -2.733 -2.848 -2.960 18.898 16.933 14.779 12.799 11.049 9.518 8.180 7.006 5.968 5.045 4.216 3.465 2.782 2.157 1.584 0.571 0.388 0.209 0.036 -0.132 -0.296 -0.455 -0.610 -0.762 -0.910 -1.055 -1.197 -1.337 -1.474 -1.609 -1.741 -1.872 -2.001 -2.129 -2.255 -2.380 18.525 16.797 14.752 12.835 11.127 9.630 8.320 7.173 6.163 5.268 4.470 3.753 3.103 2.513 1.973 1.024 0.852 0.686 0.524 0.367 0.215 0.066 -0.079 -0.220 -0.359 -0.494 -0.627 -0.758 -0.886 -1.013 -1.138 -1.261 -1.384 -1.505 -1.626 -1.746 18.057 16.581 14.653 12.803 11.143 9.681 8.401 7.281 6.297 5.430 4.660 3.972 3.354 2.795 2.286 1.398 1.238 1.083 0.933 0.787 0.646 0.508 0.374 0.244 0.116 -0.009 -0.131 -0.251 -0.369 -0.485 -0.600 -0.714 -0.826 -0.938 -1.049 -1.159 17.510 16.297 14.491 12.715 11.104 9.680 8.432 7.339 6.382 5.540 4.796 4.136 3.546 3.016 2.536 1.705 1.556 1.412 1.273 1.138 1.007 0.880 0.757 0.637 0.520 0.406 0.294 0.184 0.076 -0.029 -0.134 -0.237 -0.339 -0.440 -0.540 -0.640 16.896 15.956 14.278 12.578 11.020 9.636 8.420 7.355 6.424 5.607 4.888 4.253 3.689 3.186 2.733 1.955 1.817 1.683 1.554 1.429 1.308 1.192 1.078 0.968 0.861 0.756 0.654 0.555 0.457 0.361 0.266 0.173 0.081 -0.010 -0.101 -0.191 99999.999 15.566 14.019 12.398 10.896 9.553 8.371 7.336 6.430 5.638 4.943 4.332 3.792 3.313 2.885 2.157 2.028 1.904 1.784 1.669 1.558 1.450 1.346 1.245 1.147 1.052 0.959 0.868 0.779 0.692 0.607 0.523 0.440 0.357 0.276 0.195 prehnite-Fe Ca2AlFeSi3O12H2 P-T:All Wt.(g/mol) = 441.242 V(cc/mol) = 148.000 D(g/cc) = 2.981 Ref: H&P2011 8 1.000 11 2.000 9 1.000 8 3.000 7 0.125 4 -0.125 6 -0.500 2 -8.875 1 37.309 32.823 28.862 25.416 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.309 32.823 28.862 25.416 22.409 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.312 32.826 28.864 25.419 22.411 19.759 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.316 32.830 28.868 25.423 22.416 19.764 17.395 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.323 32.838 28.876 25.431 22.423 19.771 17.403 15.257 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.335 32.850 28.888 25.443 22.435 19.784 17.416 15.271 13.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.352 32.868 28.907 25.461 22.454 19.802 17.435 15.291 13.321 11.475 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.376 32.894 28.932 25.487 22.479 19.828 17.462 15.320 13.352 11.510 9.739 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.409 32.929 28.968 25.522 22.515 19.864 17.499 15.359 13.394 11.556 9.794 8.052 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.452 32.975 29.014 25.569 22.562 19.912 17.548 15.411 13.450 11.618 9.865 8.139 6.404 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.507 33.034 29.074 25.629 22.622 19.973 17.612 15.477 13.521 11.697 9.957 8.251 6.540 4.849 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.575 33.108 29.149 25.704 22.697 20.050 17.691 15.561 13.612 11.797 10.072 8.392 6.715 5.022 3.551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.626 33.164 29.206 25.761 22.755 20.108 17.752 15.625 13.680 11.872 10.159 8.498 6.848 5.175 3.439 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.696 33.242 29.285 25.840 22.835 20.190 17.836 15.714 13.775 11.977 10.280 8.644 7.033 5.404 3.597 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.763 33.316 29.362 25.917 22.913 20.269 17.918 15.800 13.868 12.079 10.397 8.785 7.212 5.632 3.867 13.360 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.825 33.387 29.435 25.992 22.988 20.346 17.998 15.884 13.957 12.177 10.509 8.920 7.381 5.854 4.168 6.883 9.582 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.885 33.456 29.506 26.064 23.061 20.421 18.075 15.965 14.044 12.272 10.617 9.048 7.543 6.065 4.468 5.390 6.286 7.941 10.322 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.941 33.522 29.575 26.134 23.132 20.493 18.150 16.044 14.129 12.365 10.721 9.171 7.695 6.263 4.755 4.780 5.106 5.781 6.903 8.428 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.993 33.585 29.641 26.201 23.200 20.563 18.223 16.121 14.210 12.454 10.821 9.289 7.839 6.448 5.023 4.481 4.552 4.817 5.331 6.130 7.175 8.309 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.043 33.645 29.705 26.266 23.267 20.632 18.294 16.195 14.290 12.540 10.917 9.400 7.974 6.619 5.267 4.331 4.263 4.318 4.526 4.918 5.502 6.249 7.071 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.090 33.703 29.766 26.329 23.331 20.698 18.362 16.268 14.367 12.624 11.010 9.507 8.100 6.777 5.487 4.262 4.110 4.043 4.078 4.237 4.533 4.967 5.514 6.124 6.730 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.134 33.758 29.826 26.390 23.393 20.762 18.429 16.338 14.442 12.705 11.100 9.609 8.219 6.922 5.683 4.242 4.035 3.890 3.819 3.836 3.951 4.172 4.496 4.904 5.365 5.839 6.291 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.175 33.811 29.883 26.449 23.454 20.824 18.494 16.406 14.515 12.784 11.187 9.706 8.331 7.054 5.855 4.254 4.009 3.811 3.671 3.595 3.592 3.670 3.832 4.072 4.379 4.732 5.108 5.485 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.213 33.862 29.938 26.507 23.513 20.884 18.556 16.472 14.585 12.860 11.270 9.799 8.435 7.175 6.006 4.287 4.014 3.780 3.591 3.452 3.369 3.349 3.396 3.510 3.687 3.918 4.192 4.493 4.808 5.128 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.249 33.910 29.991 26.562 23.569 20.943 18.618 16.537 14.654 12.934 11.351 9.888 8.534 7.286 6.138 4.334 4.042 3.781 3.557 3.373 3.234 3.145 3.109 3.129 3.204 3.332 3.507 3.720 3.962 4.227 4.508 99999.999 99999.999 99999.999 99999.999 99999.999 38.282 33.957 30.042 26.615 23.625 21.000 18.677 16.599 14.721 13.006 11.429 9.973 8.627 7.388 6.253 4.392 4.084 3.804 3.554 3.337 3.158 3.018 2.922 2.872 2.869 2.914 3.003 3.134 3.300 3.497 3.721 3.967 4.235 99999.999 99999.999 99999.999 38.312 34.001 30.091 26.667 23.678 21.055 18.735 16.660 14.786 13.076 11.505 10.055 8.715 7.483 6.355 4.456 4.137 3.842 3.573 3.332 3.122 2.945 2.804 2.701 2.639 2.618 2.638 2.697 2.793 2.922 3.083 3.272 3.487 3.729 99999.999 99999.999 38.340 34.043 30.138 26.717 23.730 21.109 18.791 16.719 14.849 13.145 11.579 10.134 8.800 7.572 6.447 4.526 4.198 3.892 3.608 3.348 3.115 2.910 2.735 2.593 2.484 2.412 2.375 2.374 2.409 2.477 2.578 2.709 2.868 3.056 3.272 3.518 38.366 34.083 30.184 26.765 23.780 21.161 18.845 16.777 14.911 13.211 11.650 10.211 8.882 7.657 6.534 4.599 4.265 3.949 3.654 3.380 3.129 2.902 2.701 2.528 2.384 2.271 2.189 2.140 2.123 2.138 2.184 2.260 2.366 2.501 2.664 2.856 38.504 34.384 30.550 27.165 24.203 21.605 19.313 17.274 15.443 13.785 12.271 10.880 9.598 8.414 7.320 5.375 5.022 4.680 4.348 4.028 3.718 3.418 3.128 2.849 2.580 2.322 2.074 1.837 1.611 1.397 1.194 1.004 0.825 0.660 0.507 0.368 38.460 34.532 30.778 27.437 24.505 21.932 19.664 17.651 15.851 14.229 12.754 11.406 10.167 9.023 7.967 6.079 5.733 5.397 5.070 4.752 4.442 4.140 3.845 3.558 3.278 3.004 2.736 2.475 2.220 1.971 1.727 1.489 1.257 1.030 0.808 0.591 38.272 34.557 30.897 27.608 24.711 22.166 19.923 17.936 16.164 14.573 13.133 11.821 10.620 9.515 8.495 6.675 6.341 6.017 5.701 5.393 5.093 4.801 4.515 4.235 3.962 3.694 3.432 3.175 2.922 2.674 2.430 2.190 1.954 1.721 1.491 1.264 37.968 34.483 30.927 27.697 24.839 22.325 20.108 18.147 16.401 14.838 13.428 12.150 10.983 9.912 8.927 7.172 6.852 6.540 6.236 5.940 5.652 5.371 5.097 4.829 4.566 4.310 4.058 3.811 3.568 3.330 3.095 2.863 2.635 2.410 2.187 1.967 37.567 34.328 30.882 27.717 24.903 22.421 20.233 18.297 16.576 15.039 13.657 12.408 11.272 10.233 9.280 7.587 7.279 6.979 6.687 6.403 6.127 5.857 5.595 5.338 5.087 4.842 4.601 4.366 4.134 3.907 3.683 3.463 3.246 3.031 2.820 2.610 37.087 34.103 30.775 27.679 24.911 22.465 20.306 18.396 16.700 15.188 13.832 12.609 11.501 10.491 9.567 7.932 7.635 7.346 7.066 6.793 6.528 6.269 6.018 5.772 5.532 5.298 5.068 4.843 4.623 4.407 4.194 3.985 3.779 3.575 3.375 3.176 36.540 33.821 30.615 27.591 24.873 22.464 20.336 18.452 16.781 15.292 13.960 12.762 11.680 10.697 9.799 8.218 7.931 7.652 7.382 7.120 6.865 6.617 6.376 6.140 5.911 5.686 5.467 5.252 5.042 4.836 4.634 4.435 4.239 4.046 3.855 3.667 99999.999 33.489 30.410 27.461 24.795 22.425 20.328 18.471 16.825 15.359 14.050 12.875 11.816 10.857 9.984 8.452 8.175 7.907 7.647 7.394 7.148 6.910 6.678 6.452 6.232 6.017 5.807 5.601 5.400 5.204 5.010 4.821 4.634 4.451 4.270 4.091 pumpellyite-Fe Ca4Al5FeSi6O28H7 P-T:All Wt.(g/mol) = 974.603 V(cc/mol) = 296.800 D(g/cc) = 3.284 Ref: H&P2011 6 4.000 9 1.000 11 5.000 8 6.000 7 4.000 2 -25.000 1 86.398 74.161 63.453 54.168 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.398 74.161 63.453 54.168 46.065 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.403 74.166 63.458 54.174 46.071 38.918 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.412 74.176 63.469 54.184 46.081 38.928 32.527 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.428 74.193 63.486 54.201 46.099 38.946 32.546 26.733 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.453 74.220 63.513 54.229 46.126 38.975 32.576 26.765 21.409 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.489 74.260 63.554 54.269 46.168 39.018 32.621 26.813 21.461 16.435 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.542 74.317 63.611 54.328 46.227 39.079 32.684 26.881 21.536 16.519 11.688 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.612 74.394 63.690 54.407 46.308 39.162 32.772 26.975 21.638 16.634 11.823 7.069 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.705 74.496 63.794 54.512 46.414 39.271 32.887 27.098 21.773 16.786 12.002 7.289 2.582 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.822 74.625 63.927 54.646 46.551 39.412 33.034 27.256 21.945 16.980 12.232 7.573 2.922 -1.547 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.967 74.787 64.094 54.815 46.722 39.589 33.220 27.455 22.162 17.224 12.519 7.930 3.364 -1.167 -4.634 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 87.074 74.909 64.220 54.943 46.853 39.723 33.361 27.606 22.327 17.408 12.736 8.199 3.705 -0.797 -5.255 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 87.221 75.078 64.395 55.121 47.034 39.911 33.558 27.817 22.556 17.665 13.038 8.573 4.183 -0.221 -5.026 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 87.360 75.239 64.563 55.293 47.210 40.093 33.749 28.021 22.778 17.913 13.327 8.930 4.644 0.367 -4.384 30.202 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 87.490 75.393 64.725 55.459 47.380 40.268 33.934 28.218 22.993 18.153 13.606 9.272 5.083 0.944 -3.615 7.331 17.214 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 87.612 75.540 64.881 55.619 47.544 40.438 34.113 28.409 23.201 18.384 13.874 9.599 5.500 1.497 -2.823 1.955 5.482 11.723 20.742 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 87.727 75.681 65.031 55.774 47.703 40.603 34.286 28.595 23.402 18.608 14.131 9.909 5.893 2.017 -2.057 -0.355 1.175 3.939 8.314 14.238 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 87.834 75.816 65.175 55.923 47.857 40.763 34.454 28.774 23.598 18.824 14.379 10.205 6.263 2.501 -1.342 -1.572 -0.941 0.371 2.573 5.815 10.007 14.664 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 87.933 75.944 65.314 56.067 48.005 40.917 34.617 28.949 23.787 19.034 14.617 10.486 6.608 2.948 -0.689 -2.266 -2.127 -1.559 -0.446 1.325 3.808 6.921 10.394 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 88.026 76.067 65.447 56.206 48.149 41.067 34.775 29.117 23.970 19.236 14.846 10.753 6.931 3.357 -0.105 -2.668 -2.832 -2.700 -2.203 -1.267 0.166 2.109 4.497 7.166 9.898 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 88.112 76.183 65.575 56.340 48.288 41.212 34.928 29.281 24.148 19.432 15.066 11.006 7.232 3.728 0.410 -2.891 -3.256 -3.403 -3.289 -2.865 -2.086 -0.923 0.622 2.496 4.599 6.800 8.974 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 88.191 76.294 65.698 56.470 48.423 41.352 35.076 29.440 24.320 19.622 15.277 11.247 7.512 4.065 0.859 -2.997 -3.502 -3.840 -3.980 -3.890 -3.538 -2.896 -1.950 -0.710 0.788 2.477 4.279 6.117 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 88.264 76.400 65.816 56.594 48.553 41.489 35.220 29.594 24.488 19.805 15.481 11.476 7.774 4.370 1.245 -3.024 -3.631 -4.103 -4.421 -4.561 -4.501 -4.217 -3.694 -2.925 -1.921 -0.708 0.672 2.168 3.734 5.335 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 88.331 76.500 65.930 56.715 48.679 41.620 35.359 29.744 24.650 19.983 15.678 11.695 8.018 4.645 1.575 -2.994 -3.677 -4.249 -4.695 -5.001 -5.147 -5.117 -4.897 -4.476 -3.852 -3.034 -2.041 -0.900 0.358 1.703 3.115 99999.999 99999.999 99999.999 99999.999 99999.999 88.391 76.596 66.039 56.831 48.800 41.748 35.495 29.889 24.808 20.156 15.868 11.904 8.247 4.896 1.858 -2.924 -3.665 -4.312 -4.854 -5.281 -5.579 -5.735 -5.737 -5.573 -5.240 -4.736 -4.067 -3.247 -2.293 -1.225 -0.061 1.187 2.511 99999.999 99999.999 99999.999 88.446 76.686 66.143 56.943 48.918 41.872 35.626 30.030 24.961 20.323 16.051 12.104 8.463 5.127 2.103 -2.824 -3.610 -4.314 -4.930 -5.449 -5.861 -6.156 -6.324 -6.355 -6.243 -5.985 -5.580 -5.032 -4.351 -3.547 -2.633 -1.619 -0.514 0.680 99999.999 99999.999 88.495 76.771 66.243 57.050 49.032 41.992 35.753 30.167 25.109 20.486 16.229 12.297 8.669 5.342 2.321 -2.702 -3.523 -4.273 -4.946 -5.536 -6.035 -6.436 -6.730 -6.911 -6.970 -6.904 -6.710 -6.387 -5.939 -5.371 -4.691 -3.904 -3.018 -2.037 -0.964 0.203 88.538 76.852 66.338 57.154 49.142 42.108 35.877 30.300 25.254 20.644 16.401 12.483 8.868 5.547 2.525 -2.564 -3.413 -4.198 -4.916 -5.561 -6.129 -6.612 -7.005 -7.301 -7.495 -7.580 -7.555 -7.415 -7.162 -6.797 -6.323 -5.745 -5.066 -4.290 -3.421 -2.458 88.693 77.425 67.085 57.996 50.053 43.084 36.925 31.434 26.492 22.003 17.892 14.107 10.612 7.383 4.404 -0.858 -1.805 -2.718 -3.598 -4.446 -5.261 -6.043 -6.792 -7.509 -8.192 -8.841 -9.456 -10.035 -10.577 -11.082 -11.548 -11.975 -12.361 -12.706 -13.008 -13.268 88.422 77.640 67.510 58.540 50.679 43.780 37.691 32.277 27.424 23.037 19.039 15.371 11.991 8.869 5.980 0.824 -0.118 -1.033 -1.921 -2.785 -3.624 -4.441 -5.235 -6.009 -6.761 -7.494 -8.208 -8.903 -9.580 -10.239 -10.881 -11.505 -12.113 -12.704 -13.279 -13.838 87.815 77.571 67.680 58.846 51.079 44.256 38.238 32.897 28.123 23.824 19.923 16.359 13.085 10.065 7.272 2.279 1.364 0.473 -0.393 -1.237 -2.059 -2.862 -3.645 -4.410 -5.158 -5.891 -6.608 -7.311 -8.000 -8.677 -9.343 -9.997 -10.641 -11.276 -11.902 -12.520 86.936 77.271 67.642 58.960 51.297 44.556 38.610 33.339 28.638 24.418 20.602 17.130 13.951 11.026 8.327 3.504 2.620 1.761 0.924 0.108 -0.687 -1.462 -2.220 -2.961 -3.686 -4.396 -5.092 -5.775 -6.447 -7.107 -7.758 -8.399 -9.032 -9.657 -10.275 -10.887 85.837 76.781 67.432 58.914 51.364 44.709 38.837 33.635 29.004 24.855 21.117 17.727 14.633 11.796 9.183 4.526 3.674 2.846 2.039 1.254 0.489 -0.258 -0.987 -1.699 -2.396 -3.079 -3.748 -4.404 -5.049 -5.684 -6.309 -6.925 -7.533 -8.133 -8.728 -9.316 84.553 76.134 67.078 58.734 51.303 44.740 38.944 33.812 29.247 25.166 21.497 18.181 15.165 12.408 9.875 5.375 4.553 3.754 2.978 2.222 1.485 0.767 0.067 -0.617 -1.286 -1.941 -2.582 -3.211 -3.828 -4.435 -5.033 -5.621 -6.201 -6.775 -7.341 -7.902 83.115 75.355 66.603 58.439 51.134 44.666 38.950 33.887 29.387 25.370 21.767 18.518 15.572 12.888 10.428 6.074 5.281 4.510 3.761 3.033 2.324 1.634 0.960 0.303 -0.339 -0.967 -1.581 -2.184 -2.775 -3.355 -3.926 -4.488 -5.041 -5.588 -6.128 -6.662 99999.999 74.464 66.023 58.046 50.872 44.504 38.868 33.875 29.440 25.485 21.943 18.756 15.875 13.256 10.865 6.645 5.879 5.135 4.412 3.710 3.027 2.362 1.714 1.082 0.465 -0.138 -0.728 -1.306 -1.872 -2.428 -2.974 -3.511 -4.040 -4.562 -5.077 -5.586 pumpellyite-Mg Ca4Al5MgSi6O28H7 P-T:All Wt.(g/mol) = 943.090 V(cc/mol) = 295.500 D(g/cc) = 3.192 Ref: H&P2011 6 -25.000 1 4.000 9 1.000 10 5.000 8 4.000 2 6.000 7 90.173 77.599 66.611 57.092 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.173 77.599 66.611 57.092 48.792 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.178 77.604 66.616 57.098 48.798 41.477 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.187 77.614 66.626 57.108 48.808 41.488 34.942 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.203 77.631 66.643 57.125 48.825 41.506 34.961 29.024 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.227 77.657 66.670 57.152 48.853 41.534 34.991 29.056 23.592 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.264 77.697 66.711 57.193 48.894 41.577 35.036 29.104 23.644 18.523 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.316 77.753 66.768 57.251 48.953 41.637 35.099 29.172 23.719 18.607 13.692 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.386 77.830 66.846 57.329 49.033 41.720 35.186 29.265 23.821 18.722 13.828 8.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.478 77.931 66.949 57.433 49.138 41.828 35.300 29.388 23.955 18.873 14.007 9.220 4.447 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.594 78.059 67.081 57.567 49.274 41.968 35.447 29.545 24.127 19.067 14.236 9.503 4.787 0.263 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.737 78.220 67.246 57.734 49.445 42.144 35.632 29.743 24.343 19.311 14.523 9.860 5.229 0.642 -2.859 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.844 78.340 67.371 57.861 49.574 42.278 35.773 29.894 24.507 19.495 14.740 10.129 5.570 1.011 -3.491 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.990 78.507 67.544 58.038 49.754 42.464 35.968 30.103 24.736 19.751 15.041 10.503 6.049 1.587 -3.267 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 91.127 78.667 67.711 58.208 49.928 42.644 36.158 30.306 24.957 19.998 15.330 10.861 6.510 2.176 -2.627 32.275 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 91.256 78.820 67.872 58.372 50.097 42.819 36.342 30.503 25.171 20.237 15.609 11.203 6.950 2.754 -1.856 9.169 19.151 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 91.377 78.966 68.026 58.531 50.260 42.988 36.519 30.693 25.378 20.468 15.876 11.529 7.367 3.307 -1.063 3.736 7.297 13.601 22.719 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 91.490 79.105 68.175 58.684 50.417 43.151 36.692 30.878 25.579 20.691 16.133 11.839 7.760 3.829 -0.295 1.399 2.943 5.734 10.155 16.143 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 91.595 79.238 68.317 58.832 50.570 43.310 36.859 31.056 25.773 20.907 16.380 12.135 8.130 4.314 0.422 0.166 0.802 2.126 4.350 7.627 11.866 16.578 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 91.694 79.365 68.454 58.975 50.717 43.463 37.020 31.229 25.961 21.116 16.618 12.415 8.475 4.761 1.076 -0.539 -0.400 0.172 1.297 3.086 5.597 8.745 12.260 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 91.785 79.486 68.586 59.112 50.860 43.611 37.177 31.397 26.144 21.317 16.846 12.682 8.798 5.170 1.661 -0.948 -1.116 -0.984 -0.482 0.463 1.912 3.877 6.293 8.996 11.763 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 91.870 79.601 68.713 59.245 50.997 43.755 37.329 31.560 26.321 21.513 17.065 12.935 9.099 5.542 2.177 -1.177 -1.547 -1.697 -1.582 -1.154 -0.367 0.810 2.372 4.269 6.399 8.629 10.834 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 91.948 79.711 68.835 59.373 51.131 43.894 37.476 31.718 26.493 21.702 17.277 13.176 9.379 5.879 2.626 -1.288 -1.800 -2.142 -2.284 -2.194 -1.838 -1.189 -0.232 1.024 2.540 4.252 6.078 7.943 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.020 79.815 68.951 59.496 51.259 44.029 37.619 31.871 26.659 21.885 17.480 13.405 9.640 6.183 3.013 -1.318 -1.933 -2.411 -2.733 -2.876 -2.814 -2.527 -1.997 -1.219 -0.201 1.027 2.425 3.942 5.531 7.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.085 79.914 69.063 59.615 51.384 44.160 37.758 32.020 26.821 22.062 17.676 13.623 9.884 6.459 3.343 -1.291 -1.983 -2.562 -3.014 -3.323 -3.471 -3.440 -3.217 -2.790 -2.157 -1.328 -0.322 0.835 2.111 3.476 4.908 99999.999 99999.999 99999.999 99999.999 99999.999 92.144 80.008 69.171 59.730 51.504 44.286 37.892 32.164 26.977 22.234 17.865 13.831 10.113 6.709 3.626 -1.223 -1.974 -2.629 -3.178 -3.610 -3.911 -4.068 -4.069 -3.903 -3.564 -3.052 -2.374 -1.542 -0.575 0.509 1.690 2.957 4.300 99999.999 99999.999 99999.999 92.198 80.096 69.273 59.841 51.621 44.409 38.022 32.304 27.130 22.401 18.048 14.031 10.329 6.939 3.870 -1.126 -1.921 -2.635 -3.258 -3.783 -4.199 -4.497 -4.665 -4.696 -4.582 -4.319 -3.907 -3.351 -2.659 -1.843 -0.916 0.113 1.235 2.446 99999.999 99999.999 92.246 80.181 69.372 59.947 51.733 44.528 38.148 32.440 27.278 22.562 18.225 14.223 10.535 7.154 4.088 -1.006 -1.837 -2.596 -3.277 -3.874 -4.378 -4.783 -5.080 -5.261 -5.320 -5.252 -5.053 -4.724 -4.269 -3.692 -3.000 -2.201 -1.302 -0.307 0.782 1.966 92.288 80.260 69.466 60.049 51.842 44.643 38.271 32.572 27.421 22.720 18.397 14.410 10.733 7.359 4.291 -0.869 -1.729 -2.524 -3.250 -3.903 -4.476 -4.964 -5.361 -5.659 -5.853 -5.938 -5.910 -5.767 -5.509 -5.137 -4.655 -4.067 -3.377 -2.589 -1.706 -0.730 92.433 80.820 70.200 60.879 52.741 45.608 39.308 33.697 28.651 24.072 19.882 16.028 12.473 9.191 6.166 0.830 -0.130 -1.055 -1.946 -2.803 -3.627 -4.418 -5.176 -5.899 -6.589 -7.244 -7.864 -8.447 -8.993 -9.501 -9.970 -10.399 -10.786 -11.132 -11.434 -11.694 92.153 81.024 70.613 61.411 53.356 46.293 40.065 34.532 29.576 25.099 21.023 17.287 13.848 10.673 7.739 2.508 1.554 0.627 -0.273 -1.147 -1.996 -2.822 -3.626 -4.407 -5.168 -5.908 -6.628 -7.329 -8.012 -8.676 -9.323 -9.952 -10.564 -11.158 -11.737 -12.299 91.537 80.943 70.771 61.706 53.746 46.760 40.603 35.143 30.267 25.880 21.902 18.270 14.937 11.866 9.028 3.961 3.033 2.131 1.253 0.399 -0.434 -1.246 -2.038 -2.812 -3.568 -4.307 -5.032 -5.741 -6.437 -7.120 -7.791 -8.450 -9.099 -9.739 -10.369 -10.990 90.650 80.633 70.722 61.809 53.953 47.050 40.966 35.577 30.774 26.466 22.575 19.036 15.799 12.824 10.079 5.184 4.288 3.416 2.568 1.742 0.937 0.152 -0.614 -1.364 -2.096 -2.814 -3.517 -4.207 -4.885 -5.552 -6.208 -6.854 -7.492 -8.122 -8.744 -9.361 89.543 80.133 70.502 61.753 54.010 47.194 41.184 35.865 31.133 26.897 23.083 19.627 16.477 13.590 10.933 6.204 5.340 4.500 3.682 2.887 2.111 1.356 0.618 -0.103 -0.808 -1.498 -2.174 -2.837 -3.488 -4.129 -4.759 -5.380 -5.993 -6.599 -7.197 -7.790 88.253 79.477 70.138 61.563 53.940 47.215 41.283 36.034 31.369 27.201 23.458 20.076 17.004 14.197 11.621 7.050 6.216 5.406 4.618 3.852 3.106 2.379 1.670 0.978 0.301 -0.360 -1.009 -1.644 -2.267 -2.880 -3.483 -4.076 -4.662 -5.240 -5.810 -6.375 86.809 78.689 69.653 61.258 53.762 47.133 41.280 36.101 31.502 27.399 23.721 20.407 17.406 14.672 12.170 7.746 6.941 6.160 5.400 4.662 3.944 3.244 2.562 1.897 1.248 0.613 -0.009 -0.617 -1.214 -1.800 -2.376 -2.943 -3.502 -4.052 -4.596 -5.134 99999.999 77.789 69.064 60.856 53.490 46.962 41.190 36.082 31.547 27.507 23.891 20.640 17.703 15.037 12.603 8.315 7.537 6.782 6.049 5.337 4.644 3.970 3.314 2.674 2.050 1.440 0.844 0.260 -0.312 -0.873 -1.425 -1.967 -2.500 -3.026 -3.546 -4.058 px-Mg-tschermaks MgAl2SiO6 P-T:All Wt.(g/mol) = 202.360 V(cc/mol) = 60.500 D(g/cc) = 3.345 Ref: H&P2011 5 1.000 10 2.000 8 1.000 7 2.000 2 -8.000 1 38.130 32.413 27.491 23.244 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.130 32.413 27.491 23.244 19.545 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.132 32.415 27.493 23.246 19.547 16.285 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.136 32.419 27.496 23.250 19.550 16.289 13.376 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.141 32.425 27.502 23.256 19.556 16.295 13.383 10.748 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.151 32.435 27.512 23.265 19.566 16.305 13.393 10.759 8.346 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.165 32.449 27.527 23.280 19.580 16.320 13.409 10.776 8.364 6.119 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.185 32.470 27.547 23.300 19.601 16.341 13.431 10.799 8.389 6.148 4.019 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.212 32.498 27.576 23.328 19.629 16.370 13.461 10.831 8.424 6.187 4.065 2.009 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.248 32.536 27.613 23.366 19.667 16.408 13.501 10.874 8.470 6.239 4.126 2.083 0.090 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.294 32.584 27.661 23.414 19.715 16.458 13.552 10.929 8.530 6.305 4.204 2.179 0.202 -1.646 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.352 32.645 27.722 23.475 19.777 16.520 13.618 10.998 8.605 6.389 4.302 2.299 0.349 -1.534 -2.919 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.396 32.691 27.769 23.521 19.823 16.568 13.667 11.051 8.662 6.453 4.377 2.391 0.464 -1.417 -3.196 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.457 32.756 27.834 23.586 19.889 16.635 13.737 11.125 8.742 6.542 4.480 2.519 0.625 -1.228 -3.161 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.515 32.818 27.897 23.650 19.953 16.701 13.806 11.197 8.820 6.628 4.581 2.642 0.782 -1.032 -2.962 9.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.572 32.879 27.959 23.712 20.016 16.765 13.872 11.268 8.896 6.712 4.677 2.759 0.932 -0.837 -2.710 1.119 4.896 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.626 32.939 28.019 23.772 20.077 16.827 13.937 11.336 8.970 6.794 4.771 2.872 1.075 -0.650 -2.445 -0.975 0.340 2.716 6.216 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.679 32.996 28.078 23.831 20.136 16.888 14.000 11.403 9.042 6.873 4.861 2.980 1.210 -0.472 -2.186 -1.889 -1.346 -0.321 1.338 3.626 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.729 33.052 28.135 23.889 20.194 16.947 14.062 11.468 9.112 6.950 4.948 3.083 1.338 -0.307 -1.942 -2.381 -2.187 -1.725 -0.913 0.311 1.923 3.748 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.777 33.106 28.191 23.945 20.251 17.005 14.122 11.532 9.180 7.024 5.032 3.181 1.457 -0.153 -1.720 -2.671 -2.668 -2.495 -2.107 -1.459 -0.526 0.665 2.018 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.824 33.159 28.245 24.000 20.307 17.062 14.181 11.594 9.247 7.097 5.113 3.275 1.570 -0.013 -1.520 -2.847 -2.962 -2.959 -2.811 -2.490 -1.970 -1.244 -0.336 0.698 1.773 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.869 33.210 28.298 24.054 20.361 17.118 14.239 11.655 9.312 7.168 5.191 3.364 1.674 0.115 -1.344 -2.952 -3.146 -3.253 -3.254 -3.133 -2.870 -2.452 -1.881 -1.172 -0.364 0.494 1.355 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.912 33.260 28.350 24.106 20.414 17.172 14.295 11.714 9.376 7.236 5.267 3.449 1.772 0.232 -1.190 -3.011 -3.260 -3.442 -3.544 -3.553 -3.458 -3.246 -2.911 -2.457 -1.896 -1.252 -0.556 0.163 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.954 33.309 28.400 24.157 20.466 17.225 14.350 11.772 9.438 7.304 5.341 3.531 1.864 0.337 -1.058 -3.038 -3.328 -3.563 -3.735 -3.835 -3.854 -3.783 -3.616 -3.349 -2.986 -2.536 -2.016 -1.444 -0.838 -0.214 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.994 33.356 28.449 24.207 20.517 17.277 14.404 11.829 9.498 7.369 5.412 3.609 1.950 0.433 -0.945 -3.043 -3.363 -3.637 -3.860 -4.026 -4.126 -4.156 -4.108 -3.979 -3.768 -3.477 -3.113 -2.688 -2.213 -1.699 -1.156 99999.999 99999.999 99999.999 99999.999 99999.999 39.032 33.401 28.497 24.256 20.566 17.328 14.457 11.885 9.557 7.433 5.481 3.684 2.031 0.520 -0.849 -3.031 -3.374 -3.679 -3.940 -4.154 -4.315 -4.417 -4.457 -4.431 -4.335 -4.169 -3.936 -3.641 -3.290 -2.892 -2.454 -1.980 -1.475 99999.999 99999.999 99999.999 39.069 33.446 28.544 24.304 20.615 17.378 14.508 11.939 9.615 7.495 5.548 3.756 2.108 0.600 -0.765 -3.006 -3.368 -3.696 -3.987 -4.237 -4.443 -4.601 -4.707 -4.758 -4.750 -4.682 -4.555 -4.369 -4.129 -3.838 -3.502 -3.126 -2.712 -2.264 99999.999 99999.999 39.104 33.489 28.590 24.350 20.662 17.426 14.559 11.992 9.672 7.556 5.614 3.826 2.181 0.676 -0.690 -2.972 -3.349 -3.695 -4.009 -4.288 -4.529 -4.729 -4.886 -4.996 -5.056 -5.065 -5.021 -4.926 -4.779 -4.584 -4.342 -4.058 -3.734 -3.373 -2.974 -2.540 39.138 33.531 28.634 24.396 20.709 17.474 14.608 12.044 9.727 7.615 5.677 3.894 2.252 0.748 -0.621 -2.931 -3.320 -3.681 -4.013 -4.314 -4.583 -4.816 -5.012 -5.168 -5.282 -5.351 -5.375 -5.352 -5.284 -5.170 -5.011 -4.811 -4.571 -4.292 -3.976 -3.624 39.404 33.889 29.025 24.801 21.124 17.901 15.051 12.509 10.221 8.145 6.247 4.502 2.895 1.412 0.047 -2.362 -2.795 -3.213 -3.615 -4.003 -4.376 -4.733 -5.076 -5.404 -5.717 -6.015 -6.298 -6.564 -6.815 -7.050 -7.268 -7.470 -7.654 -7.821 -7.971 -8.103 39.559 34.155 29.332 25.128 21.464 18.252 15.417 12.893 10.628 8.580 6.714 5.004 3.430 1.978 0.636 -1.757 -2.193 -2.616 -3.027 -3.427 -3.814 -4.191 -4.558 -4.914 -5.260 -5.596 -5.924 -6.242 -6.551 -6.852 -7.145 -7.429 -7.705 -7.974 -8.235 -8.488 39.626 34.347 29.572 25.393 21.744 18.545 15.723 13.214 10.969 8.944 7.105 5.425 3.881 2.458 1.143 -1.207 -1.637 -2.056 -2.463 -2.859 -3.244 -3.620 -3.987 -4.344 -4.693 -5.034 -5.368 -5.694 -6.013 -6.326 -6.633 -6.934 -7.229 -7.519 -7.805 -8.086 39.623 34.479 29.758 25.607 21.976 18.791 15.981 13.487 11.258 9.252 7.436 5.781 4.265 2.869 1.580 -0.723 -1.145 -1.555 -1.954 -2.343 -2.722 -3.091 -3.452 -3.804 -4.148 -4.484 -4.814 -5.136 -5.452 -5.763 -6.068 -6.368 -6.663 -6.953 -7.240 -7.522 39.563 34.562 29.901 25.780 22.168 18.998 16.201 13.720 11.505 9.517 7.720 6.086 4.593 3.222 1.957 -0.299 -0.712 -1.114 -1.505 -1.885 -2.256 -2.617 -2.970 -3.314 -3.651 -3.980 -4.302 -4.618 -4.928 -5.231 -5.530 -5.823 -6.112 -6.397 -6.678 -6.955 39.456 34.605 30.005 25.918 22.327 19.172 16.389 13.920 11.719 9.745 7.964 6.349 4.877 3.527 2.285 0.073 -0.332 -0.725 -1.108 -1.480 -1.843 -2.196 -2.541 -2.878 -3.206 -3.528 -3.842 -4.150 -4.452 -4.748 -5.039 -5.325 -5.606 -5.883 -6.156 -6.425 39.310 34.615 30.079 26.026 22.458 19.319 16.549 14.093 11.904 9.943 8.177 6.578 5.124 3.794 2.571 0.399 0.003 -0.383 -0.758 -1.122 -1.477 -1.823 -2.160 -2.489 -2.810 -3.124 -3.431 -3.732 -4.026 -4.315 -4.598 -4.876 -5.150 -5.419 -5.685 -5.946 99999.999 34.596 30.126 26.109 22.565 19.443 16.686 14.242 12.065 10.116 8.363 6.779 5.340 4.027 2.822 0.687 0.297 -0.081 -0.448 -0.806 -1.153 -1.492 -1.822 -2.144 -2.458 -2.765 -3.065 -3.359 -3.646 -3.928 -4.204 -4.475 -4.742 -5.004 -5.262 -5.516 px-Ca-tschermaks CaAl2SiO6 P-T:All Wt.(g/mol) = 218.130 V(cc/mol) = 63.560 D(g/cc) = 3.432 Ref: H&P2011 5 1.000 9 2.000 8 1.000 7 2.000 2 -8.000 1 35.315 30.175 25.736 21.895 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.315 30.175 25.736 21.895 18.540 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.317 30.177 25.738 21.897 18.542 15.575 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.320 30.180 25.741 21.901 18.546 15.578 12.920 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.326 30.186 25.747 21.907 18.551 15.584 12.926 10.512 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.336 30.196 25.757 21.916 18.561 15.594 12.936 10.523 8.303 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.350 30.210 25.771 21.930 18.575 15.609 12.951 10.539 8.321 6.248 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.370 30.231 25.791 21.951 18.595 15.629 12.973 10.562 8.346 6.276 4.301 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.398 30.259 25.819 21.978 18.623 15.658 13.002 10.593 8.380 6.314 4.346 2.429 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.434 30.296 25.856 22.015 18.660 15.695 13.041 10.635 8.424 6.364 4.405 2.501 0.633 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.481 30.344 25.904 22.062 18.707 15.743 13.091 10.688 8.482 6.428 4.480 2.593 0.741 -1.004 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.540 30.405 25.964 22.122 18.767 15.805 13.155 10.755 8.555 6.510 4.575 2.710 0.884 -0.892 -2.225 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.584 30.451 26.010 22.168 18.813 15.851 13.203 10.807 8.611 6.571 4.647 2.798 0.995 -0.776 -2.473 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.645 30.515 26.075 22.232 18.877 15.917 13.271 10.879 8.688 6.658 4.747 2.922 1.151 -0.593 -2.427 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.705 30.578 26.137 22.294 18.940 15.981 13.338 10.949 8.764 6.741 4.844 3.040 1.302 -0.402 -2.230 9.758 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.762 30.639 26.198 22.355 19.002 16.043 13.403 11.017 8.837 6.822 4.938 3.154 1.447 -0.214 -1.985 1.551 5.040 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.818 30.698 26.258 22.415 19.061 16.104 13.466 11.084 8.909 6.901 5.028 3.263 1.585 -0.033 -1.729 -0.388 0.821 3.011 6.229 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.871 30.755 26.316 22.473 19.120 16.164 13.527 11.149 8.979 6.978 5.115 3.367 1.715 0.138 -1.479 -1.231 -0.738 0.201 1.726 3.825 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.922 30.811 26.373 22.530 19.177 16.222 13.588 11.212 9.047 7.052 5.199 3.466 1.838 0.297 -1.244 -1.682 -1.512 -1.095 -0.355 0.766 2.241 3.904 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.972 30.865 26.428 22.585 19.233 16.279 13.646 11.274 9.113 7.125 5.281 3.561 1.954 0.445 -1.029 -1.945 -1.952 -1.803 -1.455 -0.867 -0.017 1.068 2.298 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.020 30.918 26.482 22.639 19.287 16.334 13.704 11.335 9.178 7.195 5.359 3.652 2.062 0.581 -0.837 -2.103 -2.220 -2.228 -2.102 -1.816 -1.348 -0.690 0.134 1.070 2.040 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.066 30.969 26.534 22.692 19.340 16.388 13.760 11.394 9.241 7.263 5.435 3.738 2.163 0.705 -0.667 -2.195 -2.385 -2.495 -2.507 -2.406 -2.175 -1.802 -1.287 -0.648 0.081 0.854 1.625 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.110 31.019 26.585 22.744 19.392 16.441 13.815 11.452 9.302 7.330 5.508 3.820 2.258 0.817 -0.519 -2.245 -2.486 -2.665 -2.770 -2.790 -2.714 -2.530 -2.234 -1.828 -1.324 -0.746 -0.122 0.521 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.153 31.068 26.635 22.794 19.443 16.493 13.869 11.508 9.363 7.395 5.579 3.899 2.346 0.919 -0.391 -2.266 -2.544 -2.772 -2.942 -3.046 -3.075 -3.022 -2.880 -2.646 -2.325 -1.924 -1.460 -0.949 -0.409 0.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.194 31.115 26.684 22.843 19.493 16.544 13.921 11.563 9.421 7.458 5.648 3.974 2.429 1.011 -0.282 -2.266 -2.572 -2.836 -3.053 -3.218 -3.322 -3.362 -3.330 -3.223 -3.041 -2.786 -2.465 -2.088 -1.666 -1.209 -0.725 99999.999 99999.999 99999.999 99999.999 99999.999 36.233 31.161 26.732 22.891 19.542 16.594 13.973 11.617 9.479 7.520 5.715 4.047 2.508 1.096 -0.188 -2.250 -2.578 -2.870 -3.122 -3.331 -3.491 -3.598 -3.648 -3.635 -3.560 -3.420 -3.219 -2.961 -2.652 -2.300 -1.911 -1.490 -1.041 99999.999 99999.999 99999.999 36.272 31.205 26.778 22.938 19.590 16.643 14.023 11.670 9.535 7.580 5.780 4.117 2.582 1.174 -0.107 -2.223 -2.568 -2.881 -3.161 -3.404 -3.606 -3.763 -3.873 -3.932 -3.938 -3.888 -3.784 -3.626 -3.419 -3.165 -2.870 -2.537 -2.171 -1.771 99999.999 99999.999 36.308 31.249 26.823 22.985 19.636 16.690 14.072 11.721 9.590 7.639 5.843 4.184 2.653 1.247 -0.034 -2.188 -2.546 -2.876 -3.177 -3.446 -3.680 -3.877 -4.034 -4.147 -4.215 -4.237 -4.210 -4.135 -4.013 -3.846 -3.638 -3.390 -3.105 -2.785 -2.432 -2.045 36.343 31.291 26.868 23.030 19.682 16.737 14.120 11.772 9.643 7.697 5.905 4.250 2.722 1.317 0.034 -2.146 -2.515 -2.859 -3.176 -3.466 -3.725 -3.952 -4.145 -4.302 -4.419 -4.496 -4.531 -4.523 -4.473 -4.381 -4.249 -4.078 -3.869 -3.626 -3.348 -3.036 36.624 31.653 27.256 23.430 20.090 17.155 14.553 12.225 10.123 8.210 6.456 4.838 3.343 1.960 0.682 -1.584 -1.994 -2.389 -2.771 -3.139 -3.493 -3.835 -4.162 -4.476 -4.777 -5.064 -5.336 -5.595 -5.839 -6.068 -6.282 -6.480 -6.663 -6.830 -6.981 -7.115 36.796 31.924 27.563 23.754 20.425 17.500 14.910 12.599 10.519 8.632 6.908 5.324 3.861 2.506 1.251 -0.997 -1.408 -1.808 -2.197 -2.575 -2.943 -3.301 -3.649 -3.989 -4.319 -4.640 -4.954 -5.259 -5.556 -5.845 -6.127 -6.401 -6.668 -6.928 -7.181 -7.427 36.882 32.122 27.805 24.017 20.701 17.787 15.209 12.912 10.850 8.985 7.287 5.730 4.296 2.970 1.740 -0.466 -0.872 -1.266 -1.651 -2.025 -2.391 -2.747 -3.095 -3.435 -3.767 -4.092 -4.410 -4.722 -5.027 -5.327 -5.621 -5.910 -6.194 -6.473 -6.748 -7.019 36.899 32.263 27.995 24.231 20.931 18.029 15.463 13.178 11.131 9.285 7.607 6.075 4.666 3.366 2.161 0.000 -0.397 -0.784 -1.161 -1.528 -1.886 -2.236 -2.578 -2.912 -3.239 -3.560 -3.873 -4.181 -4.483 -4.780 -5.072 -5.359 -5.642 -5.921 -6.197 -6.469 36.861 32.355 28.141 24.405 21.122 18.233 15.678 13.406 11.372 9.541 7.882 6.370 4.983 3.706 2.525 0.409 0.020 -0.358 -0.727 -1.087 -1.437 -1.780 -2.114 -2.441 -2.760 -3.074 -3.380 -3.681 -3.977 -4.267 -4.552 -4.833 -5.110 -5.383 -5.653 -5.919 36.776 32.409 28.250 24.544 21.281 18.406 15.863 13.602 11.580 9.763 8.119 6.624 5.257 4.001 2.841 0.766 0.386 0.015 -0.345 -0.697 -1.040 -1.374 -1.701 -2.020 -2.332 -2.638 -2.937 -3.231 -3.519 -3.802 -4.080 -4.353 -4.623 -4.888 -5.150 -5.409 36.652 32.429 28.330 24.655 21.412 18.552 16.021 13.771 11.761 9.956 8.325 6.846 5.496 4.257 3.117 1.081 0.707 0.344 -0.009 -0.353 -0.688 -1.016 -1.335 -1.647 -1.952 -2.250 -2.542 -2.829 -3.109 -3.385 -3.656 -3.922 -4.184 -4.442 -4.697 -4.948 99999.999 32.422 28.383 24.741 21.520 18.675 16.156 13.917 11.918 10.124 8.506 7.040 5.705 4.482 3.358 1.357 0.991 0.635 0.289 -0.049 -0.377 -0.698 -1.010 -1.316 -1.614 -1.905 -2.191 -2.470 -2.744 -3.013 -3.277 -3.537 -3.792 -4.043 -4.291 -4.535 pyrite FeS2 P-T:All Wt.(g/mol) = 119.980 V(cc/mol) = 23.940 D(g/cc) = 5.012 Ref: H&P2011 5 1.000 11 0.250 4 1.750 6 -1.000 2 0.250 1 -26.503 -24.654 -23.235 -22.129 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.503 -24.654 -23.235 -22.129 -21.269 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -26.503 -24.654 -23.234 -22.128 -21.268 -20.610 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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153.114 141.049 130.089 120.047 110.763 102.092 93.890 86.000 78.185 69.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 240.346 218.020 198.618 181.633 166.619 153.223 141.160 130.205 120.172 110.903 102.256 94.097 86.280 78.605 70.605 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 240.478 218.141 198.732 181.742 166.726 153.330 141.270 130.320 120.295 111.039 102.415 94.293 86.541 78.984 71.251 53.758 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 240.609 218.261 198.845 181.851 166.832 153.436 141.378 130.432 120.415 111.172 102.569 94.481 86.786 79.331 71.811 57.626 53.326 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 240.739 218.380 198.957 181.958 166.938 153.540 141.484 130.543 120.534 111.302 102.717 94.661 87.016 79.648 72.305 58.852 55.605 51.855 47.211 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 240.868 218.498 199.068 182.065 167.041 153.644 141.589 130.652 120.650 111.429 102.862 94.833 87.233 79.942 72.748 59.629 56.717 53.610 50.175 46.239 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 240.996 218.615 199.178 182.170 167.144 153.746 141.693 130.760 120.764 111.553 103.002 94.998 87.438 80.213 73.146 60.221 57.478 54.641 51.653 48.438 44.910 41.010 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 241.123 218.731 199.287 182.275 167.246 153.847 141.796 130.866 120.876 111.675 103.138 95.157 87.633 80.465 73.506 60.709 58.071 55.385 52.621 49.741 46.698 43.447 39.962 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 241.249 218.846 199.396 182.378 167.347 153.948 141.897 130.971 120.986 111.794 103.271 95.310 87.817 80.699 73.830 61.130 58.565 55.977 53.348 50.656 47.875 44.976 41.935 38.742 35.408 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 241.373 218.961 199.503 182.481 167.447 154.047 141.997 131.074 121.095 111.911 103.400 95.457 87.992 80.917 74.125 61.503 58.993 56.475 53.938 51.367 48.746 46.057 43.283 40.412 37.441 34.382 31.259 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 241.497 219.074 199.609 182.583 167.547 154.145 142.096 131.176 121.202 112.026 103.526 95.600 88.159 81.120 74.391 61.841 59.373 56.909 54.439 51.953 49.440 46.888 44.286 41.624 38.896 36.105 33.260 30.381 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 241.621 219.187 199.715 182.684 167.645 154.242 142.194 131.276 121.307 112.138 103.649 95.738 88.318 81.311 74.634 62.150 59.717 57.295 54.877 52.455 50.021 47.566 45.082 42.563 40.002 37.399 34.758 32.088 29.403 26.723 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 241.743 219.298 199.820 182.784 167.742 154.339 142.291 131.376 121.411 112.249 103.769 95.871 88.471 81.490 74.856 62.437 60.033 57.646 55.269 52.897 50.522 48.140 45.743 43.326 40.885 38.418 35.926 33.414 30.890 28.367 25.859 99999.999 99999.999 99999.999 99999.999 99999.999 241.864 219.409 199.924 182.884 167.839 154.434 142.387 131.474 121.513 112.357 103.887 96.001 88.617 81.659 75.059 62.705 60.326 57.968 55.625 53.293 50.966 48.640 46.309 43.970 41.618 39.252 36.872 34.480 32.082 29.684 27.298 24.933 22.603 99999.999 99999.999 99999.999 241.985 219.520 200.028 182.982 167.935 154.529 142.482 131.571 121.614 112.464 104.002 96.128 88.758 81.820 75.247 62.957 60.600 58.266 55.952 53.653 51.366 49.085 46.807 44.528 42.245 39.957 37.663 35.364 33.063 30.766 28.479 26.210 23.969 21.764 99999.999 99999.999 242.104 219.629 200.130 183.080 168.030 154.623 142.576 131.667 121.714 112.570 104.115 96.251 88.895 81.974 75.424 63.196 60.857 58.545 56.256 53.985 51.730 49.487 47.251 45.021 42.794 40.567 38.341 36.116 33.893 31.676 29.470 27.281 25.115 22.980 20.884 18.833 242.223 219.738 200.232 183.178 168.124 154.715 142.669 131.762 121.812 112.673 104.226 96.372 89.027 82.122 75.592 63.423 61.100 58.807 56.539 54.293 52.066 49.854 47.655 45.465 43.282 41.106 38.935 36.768 34.609 32.457 30.318 28.195 26.093 24.019 21.978 19.976 243.372 220.789 201.217 184.116 169.031 155.606 143.557 132.660 122.736 113.639 105.248 97.467 90.215 83.423 77.033 65.257 63.039 60.860 58.718 56.611 54.537 52.493 50.479 48.492 46.532 44.595 42.682 40.792 38.923 37.075 35.248 33.441 31.656 29.891 28.147 26.426 244.458 221.783 202.146 184.999 169.882 156.436 144.378 133.484 123.574 114.501 106.148 98.415 91.222 84.502 78.197 66.641 64.475 62.353 60.272 58.230 56.225 54.256 52.320 50.417 48.543 46.700 44.884 43.095 41.332 39.593 37.879 36.188 34.519 32.873 31.248 29.644 245.494 222.730 203.031 185.838 170.689 157.220 145.149 134.252 124.347 115.289 106.960 99.260 92.109 85.438 79.191 67.778 65.647 63.560 61.517 59.514 57.551 55.625 53.735 51.879 50.056 48.264 46.502 44.769 43.064 41.385 39.732 38.104 36.500 34.918 33.359 31.822 246.490 223.640 203.880 186.641 171.458 157.966 145.880 134.975 125.070 116.021 107.707 100.030 92.908 86.273 80.068 68.757 66.649 64.587 62.569 60.594 58.659 56.762 54.902 53.078 51.287 49.530 47.803 46.106 44.438 42.798 41.184 39.596 38.033 36.493 34.977 33.482 247.454 224.519 204.698 187.414 172.197 158.680 146.577 135.662 125.754 116.707 108.403 100.741 93.641 87.032 80.858 69.623 67.532 65.489 63.490 61.533 59.618 57.743 55.905 54.103 52.336 50.602 48.900 47.229 45.587 43.974 42.387 40.827 39.293 37.782 36.295 34.831 248.393 225.373 205.490 188.161 172.910 159.368 147.246 136.319 126.405 117.357 109.058 101.406 94.321 87.732 81.581 70.404 68.327 66.296 64.312 62.370 60.470 58.610 56.789 55.004 53.254 51.538 49.854 48.202 46.579 44.985 43.419 41.880 40.366 38.877 37.411 35.968 249.310 226.205 206.261 188.886 173.601 160.033 147.892 136.951 127.028 117.978 109.679 102.034 94.959 88.384 82.251 71.118 69.051 67.032 65.058 63.128 61.240 59.392 57.583 55.811 54.074 52.372 50.702 49.064 47.456 45.877 44.326 42.802 41.303 39.830 38.381 36.954 99999.999 227.020 207.013 189.592 174.273 160.678 148.517 137.561 127.628 118.573 110.273 102.630 95.562 88.997 82.877 71.779 69.720 67.709 65.743 63.822 61.943 60.105 58.306 56.544 54.817 53.125 51.467 49.839 48.243 46.675 45.136 43.624 42.137 40.676 39.239 37.826 pyrophanite MnTiO3 P-T:All Wt.(g/mol) = 150.812 V(cc/mol) = 32.880 D(g/cc) = 4.587 Ref: H&P2011 4 1.000 14 1.000 34 -1.000 2 -2.000 1 5.435 4.011 2.809 1.786 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.435 4.011 2.809 1.786 0.905 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.436 4.012 2.810 1.787 0.905 0.135 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.437 4.013 2.811 1.788 0.906 0.136 -0.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.440 4.015 2.813 1.789 0.908 0.138 -0.544 -1.156 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.444 4.018 2.816 1.792 0.910 0.140 -0.541 -1.153 -1.709 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.450 4.023 2.820 1.796 0.914 0.144 -0.538 -1.149 -1.705 -2.218 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.458 4.030 2.826 1.802 0.920 0.149 -0.532 -1.143 -1.698 -2.211 -2.696 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.470 4.039 2.834 1.810 0.927 0.157 -0.524 -1.135 -1.690 -2.202 -2.684 -3.151 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.486 4.052 2.846 1.820 0.937 0.167 -0.514 -1.124 -1.678 -2.189 -2.669 -3.133 -3.588 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.506 4.069 2.861 1.834 0.951 0.180 -0.500 -1.110 -1.663 -2.172 -2.650 -3.109 -3.559 -3.997 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.532 4.090 2.879 1.852 0.968 0.197 -0.483 -1.092 -1.644 -2.151 -2.626 -3.080 -3.523 -3.960 -4.345 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.552 4.106 2.894 1.865 0.981 0.210 -0.470 -1.078 -1.629 -2.135 -2.607 -3.057 -3.494 -3.928 -4.366 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.580 4.130 2.915 1.885 1.000 0.229 -0.451 -1.058 -1.608 -2.112 -2.581 -3.025 -3.455 -3.879 -4.331 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.609 4.153 2.936 1.904 1.018 0.247 -0.432 -1.039 -1.587 -2.089 -2.555 -2.995 -3.416 -3.830 -4.274 -2.558 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.636 4.176 2.956 1.923 1.037 0.266 -0.414 -1.020 -1.567 -2.067 -2.530 -2.965 -3.379 -3.783 -4.210 -3.831 -3.329 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.664 4.199 2.977 1.942 1.055 0.284 -0.395 -1.001 -1.547 -2.045 -2.506 -2.937 -3.344 -3.737 -4.147 -4.124 -3.976 -3.679 -3.244 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.691 4.221 2.997 1.961 1.073 0.302 -0.377 -0.982 -1.527 -2.024 -2.482 -2.909 -3.311 -3.694 -4.085 -4.241 -4.206 -4.102 -3.909 -3.640 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.718 4.244 3.017 1.980 1.091 0.320 -0.359 -0.963 -1.508 -2.003 -2.459 -2.882 -3.278 -3.654 -4.028 -4.296 -4.312 -4.288 -4.215 -4.086 -3.909 -3.719 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.744 4.266 3.037 1.999 1.109 0.337 -0.341 -0.945 -1.488 -1.983 -2.436 -2.857 -3.248 -3.616 -3.975 -4.322 -4.365 -4.383 -4.370 -4.320 -4.232 -4.113 -3.982 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.770 4.288 3.057 2.017 1.127 0.355 -0.324 -0.927 -1.469 -1.962 -2.414 -2.832 -3.219 -3.580 -3.927 -4.331 -4.390 -4.433 -4.453 -4.449 -4.418 -4.359 -4.279 -4.187 -4.098 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.796 4.310 3.077 2.036 1.145 0.372 -0.306 -0.909 -1.451 -1.942 -2.393 -2.807 -3.191 -3.547 -3.884 -4.330 -4.400 -4.458 -4.500 -4.524 -4.528 -4.510 -4.473 -4.419 -4.355 -4.290 -4.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.822 4.331 3.096 2.054 1.163 0.390 -0.289 -0.891 -1.432 -1.923 -2.371 -2.784 -3.165 -3.517 -3.845 -4.323 -4.401 -4.468 -4.524 -4.566 -4.593 -4.604 -4.598 -4.576 -4.541 -4.497 -4.450 -4.403 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.847 4.353 3.116 2.072 1.180 0.407 -0.271 -0.873 -1.414 -1.903 -2.351 -2.761 -3.140 -3.488 -3.810 -4.311 -4.395 -4.469 -4.535 -4.589 -4.632 -4.662 -4.678 -4.680 -4.670 -4.649 -4.620 -4.587 -4.550 -4.514 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.872 4.374 3.135 2.091 1.198 0.424 -0.254 -0.856 -1.395 -1.884 -2.330 -2.739 -3.116 -3.462 -3.780 -4.297 -4.384 -4.464 -4.536 -4.599 -4.653 -4.696 -4.729 -4.749 -4.759 -4.758 -4.747 -4.729 -4.706 -4.678 -4.648 99999.999 99999.999 99999.999 99999.999 99999.999 5.897 4.395 3.154 2.109 1.215 0.441 -0.237 -0.838 -1.377 -1.865 -2.310 -2.718 -3.093 -3.437 -3.752 -4.281 -4.371 -4.454 -4.531 -4.601 -4.663 -4.716 -4.760 -4.794 -4.819 -4.833 -4.839 -4.837 -4.827 -4.812 -4.791 -4.766 -4.738 99999.999 99999.999 99999.999 5.921 4.416 3.173 2.126 1.232 0.458 -0.220 -0.821 -1.360 -1.846 -2.290 -2.697 -3.070 -3.413 -3.727 -4.263 -4.355 -4.441 -4.522 -4.597 -4.664 -4.725 -4.777 -4.822 -4.858 -4.885 -4.904 -4.915 -4.919 -4.916 -4.907 -4.892 -4.872 -4.847 99999.999 99999.999 5.946 4.437 3.192 2.144 1.249 0.475 -0.203 -0.804 -1.342 -1.828 -2.271 -2.676 -3.049 -3.391 -3.703 -4.243 -4.337 -4.426 -4.510 -4.588 -4.660 -4.726 -4.785 -4.837 -4.882 -4.920 -4.950 -4.972 -4.987 -4.996 -4.997 -4.993 -4.983 -4.968 -4.947 -4.920 5.970 4.458 3.211 2.162 1.266 0.491 -0.187 -0.787 -1.324 -1.810 -2.252 -2.656 -3.028 -3.369 -3.681 -4.224 -4.319 -4.409 -4.495 -4.576 -4.652 -4.722 -4.786 -4.844 -4.896 -4.941 -4.980 -5.012 -5.037 -5.055 -5.067 -5.073 -5.073 -5.067 -5.056 -5.039 6.198 4.657 3.394 2.334 1.432 0.654 -0.025 -0.624 -1.157 -1.637 -2.071 -2.467 -2.830 -3.163 -3.469 -4.013 -4.111 -4.207 -4.299 -4.389 -4.476 -4.560 -4.641 -4.719 -4.795 -4.868 -4.939 -5.006 -5.071 -5.134 -5.193 -5.250 -5.303 -5.354 -5.402 -5.447 6.407 4.844 3.567 2.499 1.590 0.808 0.127 -0.471 -1.002 -1.477 -1.906 -2.296 -2.651 -2.977 -3.277 -3.810 -3.907 -4.001 -4.093 -4.182 -4.268 -4.353 -4.435 -4.515 -4.592 -4.668 -4.742 -4.815 -4.885 -4.954 -5.021 -5.087 -5.151 -5.213 -5.274 -5.333 6.601 5.022 3.734 2.657 1.743 0.957 0.274 -0.325 -0.855 -1.328 -1.753 -2.138 -2.488 -2.808 -3.102 -3.623 -3.718 -3.810 -3.900 -3.987 -4.072 -4.154 -4.235 -4.313 -4.390 -4.464 -4.537 -4.609 -4.679 -4.747 -4.814 -4.880 -4.945 -5.008 -5.070 -5.132 6.783 5.192 3.894 2.810 1.890 1.100 0.415 -0.186 -0.716 -1.187 -1.609 -1.991 -2.336 -2.652 -2.941 -3.452 -3.545 -3.635 -3.722 -3.807 -3.890 -3.970 -4.049 -4.125 -4.200 -4.273 -4.344 -4.413 -4.481 -4.548 -4.613 -4.678 -4.741 -4.803 -4.863 -4.923 6.955 5.354 4.049 2.958 2.033 1.239 0.551 -0.051 -0.581 -1.052 -1.473 -1.852 -2.194 -2.506 -2.791 -3.293 -3.384 -3.472 -3.558 -3.641 -3.722 -3.801 -3.877 -3.952 -4.024 -4.095 -4.164 -4.232 -4.298 -4.363 -4.426 -4.488 -4.549 -4.609 -4.668 -4.726 7.118 5.511 4.199 3.102 2.172 1.375 0.684 0.080 -0.452 -0.923 -1.343 -1.720 -2.060 -2.369 -2.651 -3.145 -3.235 -3.321 -3.405 -3.487 -3.566 -3.643 -3.718 -3.791 -3.862 -3.931 -3.998 -4.064 -4.128 -4.191 -4.253 -4.313 -4.372 -4.430 -4.487 -4.544 7.275 5.663 4.345 3.243 2.308 1.507 0.813 0.207 -0.326 -0.798 -1.217 -1.594 -1.932 -2.239 -2.518 -3.006 -3.095 -3.180 -3.263 -3.343 -3.421 -3.496 -3.570 -3.641 -3.711 -3.778 -3.844 -3.908 -3.971 -4.032 -4.092 -4.151 -4.209 -4.265 -4.320 -4.375 99999.999 5.811 4.487 3.380 2.441 1.636 0.939 0.331 -0.204 -0.676 -1.096 -1.472 -1.810 -2.115 -2.392 -2.876 -2.963 -3.047 -3.129 -3.208 -3.284 -3.359 -3.431 -3.501 -3.569 -3.636 -3.700 -3.763 -3.825 -3.885 -3.943 -4.001 -4.057 -4.112 -4.166 -4.218 pyrrhotite FeS P-T:All Wt.(g/mol) = 87.910 V(cc/mol) = 18.190 D(g/cc) = 4.833 Ref: H&P2011 3 1.000 11 1.000 6 -1.000 1 -3.638 -3.747 -3.901 -4.080 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.638 -3.747 -3.901 -4.080 -4.277 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.637 -3.747 -3.901 -4.079 -4.277 -4.491 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.636 -3.746 -3.900 -4.079 -4.276 -4.490 -4.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.634 -3.744 -3.899 -4.077 -4.274 -4.489 -4.722 -4.976 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.631 -3.742 -3.896 -4.075 -4.272 -4.486 -4.719 -4.973 -5.251 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.627 -3.738 -3.893 -4.072 -4.269 -4.482 -4.715 -4.968 -5.246 -5.555 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.621 -3.733 -3.888 -4.067 -4.264 -4.477 -4.709 -4.961 -5.238 -5.545 -5.897 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.613 -3.726 -3.882 -4.061 -4.257 -4.470 -4.701 -4.952 -5.227 -5.532 -5.879 -6.288 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.601 -3.717 -3.873 -4.052 -4.248 -4.460 -4.690 -4.940 -5.212 -5.514 -5.856 -6.256 -6.739 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.587 -3.705 -3.862 -4.041 -4.237 -4.448 -4.677 -4.924 -5.194 -5.491 -5.826 -6.215 -6.681 -7.256 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.569 -3.689 -3.848 -4.027 -4.222 -4.432 -4.659 -4.904 -5.170 -5.463 -5.790 -6.165 -6.609 -7.155 -7.874 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.556 -3.678 -3.837 -4.016 -4.211 -4.421 -4.646 -4.889 -5.153 -5.441 -5.762 -6.128 -6.556 -7.078 -7.793 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.537 -3.662 -3.821 -4.001 -4.195 -4.404 -4.627 -4.868 -5.128 -5.411 -5.724 -6.077 -6.484 -6.973 -7.644 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.518 -3.646 -3.806 -3.986 -4.180 -4.387 -4.609 -4.847 -5.104 -5.382 -5.688 -6.028 -6.416 -6.874 -7.492 -6.486 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.500 -3.630 -3.792 -3.972 -4.165 -4.371 -4.591 -4.827 -5.080 -5.354 -5.653 -5.982 -6.352 -6.782 -7.347 -7.232 -7.028 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.483 -3.615 -3.778 -3.957 -4.150 -4.356 -4.574 -4.808 -5.058 -5.327 -5.619 -5.939 -6.293 -6.697 -7.212 -7.366 -7.368 -7.304 -7.255 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.466 -3.600 -3.764 -3.943 -4.136 -4.340 -4.557 -4.788 -5.036 -5.301 -5.587 -5.897 -6.237 -6.618 -7.089 -7.383 -7.452 -7.489 -7.496 -7.515 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.449 -3.586 -3.750 -3.930 -4.122 -4.325 -4.541 -4.770 -5.014 -5.275 -5.556 -5.858 -6.185 -6.546 -6.977 -7.363 -7.459 -7.539 -7.601 -7.649 -7.709 -7.827 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.433 -3.572 -3.737 -3.916 -4.108 -4.310 -4.524 -4.751 -4.993 -5.251 -5.526 -5.821 -6.136 -6.479 -6.877 -7.327 -7.436 -7.537 -7.626 -7.705 -7.779 -7.865 -7.985 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.418 -3.558 -3.723 -3.903 -4.094 -4.296 -4.509 -4.734 -4.973 -5.227 -5.498 -5.785 -6.091 -6.418 -6.787 -7.285 -7.400 -7.511 -7.615 -7.712 -7.804 -7.895 -7.995 -8.117 -8.275 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.403 -3.545 -3.711 -3.891 -4.081 -4.282 -4.493 -4.716 -4.953 -5.204 -5.470 -5.751 -6.048 -6.363 -6.707 -7.239 -7.357 -7.473 -7.585 -7.693 -7.797 -7.897 -7.999 -8.108 -8.231 -8.376 -8.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.388 -3.531 -3.698 -3.878 -4.068 -4.268 -4.478 -4.699 -4.933 -5.181 -5.443 -5.719 -6.009 -6.312 -6.637 -7.192 -7.312 -7.430 -7.546 -7.660 -7.770 -7.879 -7.986 -8.094 -8.208 -8.331 -8.466 -8.616 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.374 -3.519 -3.686 -3.866 -4.055 -4.254 -4.463 -4.683 -4.914 -5.159 -5.418 -5.689 -5.972 -6.266 -6.576 -7.145 -7.265 -7.384 -7.502 -7.619 -7.734 -7.847 -7.959 -8.070 -8.182 -8.298 -8.419 -8.547 -8.683 -8.824 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.360 -3.506 -3.674 -3.854 -4.043 -4.241 -4.448 -4.666 -4.896 -5.138 -5.393 -5.659 -5.937 -6.224 -6.521 -7.098 -7.217 -7.336 -7.455 -7.574 -7.691 -7.807 -7.922 -8.036 -8.150 -8.264 -8.380 -8.499 -8.620 -8.744 -8.870 99999.999 99999.999 99999.999 99999.999 99999.999 -3.346 -3.494 -3.662 -3.842 -4.031 -4.228 -4.434 -4.650 -4.878 -5.117 -5.369 -5.631 -5.904 -6.185 -6.474 -7.052 -7.170 -7.289 -7.408 -7.526 -7.645 -7.762 -7.879 -7.995 -8.110 -8.225 -8.340 -8.455 -8.571 -8.687 -8.802 -8.915 -9.025 99999.999 99999.999 99999.999 -3.333 -3.482 -3.650 -3.830 -4.019 -4.215 -4.420 -4.635 -4.860 -5.097 -5.345 -5.604 -5.873 -6.149 -6.431 -7.006 -7.124 -7.242 -7.360 -7.478 -7.596 -7.715 -7.832 -7.950 -8.066 -8.182 -8.297 -8.411 -8.525 -8.637 -8.748 -8.855 -8.959 -9.058 99999.999 99999.999 -3.321 -3.470 -3.639 -3.819 -4.007 -4.203 -4.406 -4.619 -4.843 -5.077 -5.323 -5.578 -5.843 -6.115 -6.392 -6.962 -7.078 -7.195 -7.312 -7.430 -7.548 -7.666 -7.784 -7.902 -8.019 -8.135 -8.251 -8.365 -8.478 -8.590 -8.698 -8.804 -8.906 -9.003 -9.093 -9.175 -3.308 -3.459 -3.628 -3.808 -3.995 -4.190 -4.393 -4.604 -4.826 -5.058 -5.300 -5.553 -5.814 -6.082 -6.356 -6.919 -7.033 -7.149 -7.265 -7.382 -7.499 -7.616 -7.734 -7.852 -7.969 -8.086 -8.202 -8.317 -8.430 -8.541 -8.650 -8.756 -8.857 -8.954 -9.045 -9.129 -3.204 -3.359 -3.528 -3.706 -3.890 -4.078 -4.271 -4.469 -4.674 -4.885 -5.105 -5.331 -5.563 -5.800 -6.042 -6.538 -6.639 -6.741 -6.843 -6.947 -7.051 -7.156 -7.262 -7.368 -7.476 -7.584 -7.692 -7.801 -7.910 -8.019 -8.128 -8.237 -8.345 -8.452 -8.558 -8.662 -3.129 -3.279 -3.446 -3.621 -3.800 -3.982 -4.167 -4.355 -4.547 -4.743 -4.944 -5.150 -5.360 -5.574 -5.791 -6.234 -6.324 -6.414 -6.505 -6.597 -6.689 -6.782 -6.875 -6.969 -7.064 -7.160 -7.256 -7.353 -7.451 -7.549 -7.648 -7.747 -7.847 -7.947 -8.048 -8.149 -3.076 -3.216 -3.378 -3.548 -3.723 -3.899 -4.078 -4.257 -4.439 -4.622 -4.809 -4.998 -5.191 -5.386 -5.584 -5.984 -6.065 -6.147 -6.228 -6.310 -6.393 -6.476 -6.560 -6.644 -6.728 -6.813 -6.899 -6.986 -7.073 -7.161 -7.249 -7.338 -7.428 -7.518 -7.610 -7.701 -3.042 -3.167 -3.322 -3.487 -3.656 -3.827 -3.999 -4.172 -4.345 -4.518 -4.693 -4.869 -5.047 -5.227 -5.408 -5.774 -5.848 -5.922 -5.996 -6.070 -6.145 -6.220 -6.296 -6.372 -6.448 -6.525 -6.602 -6.680 -6.759 -6.838 -6.917 -6.997 -7.078 -7.160 -7.242 -7.325 -3.022 -3.128 -3.275 -3.434 -3.598 -3.764 -3.930 -4.096 -4.262 -4.427 -4.592 -4.757 -4.923 -5.089 -5.257 -5.594 -5.661 -5.729 -5.797 -5.866 -5.934 -6.003 -6.072 -6.141 -6.211 -6.281 -6.351 -6.422 -6.493 -6.565 -6.637 -6.710 -6.783 -6.857 -6.932 -7.007 -3.014 -3.099 -3.236 -3.389 -3.547 -3.708 -3.869 -4.029 -4.188 -4.346 -4.502 -4.658 -4.814 -4.969 -5.125 -5.437 -5.500 -5.563 -5.625 -5.688 -5.751 -5.815 -5.878 -5.942 -6.006 -6.070 -6.135 -6.200 -6.265 -6.331 -6.397 -6.464 -6.531 -6.599 -6.667 -6.736 -3.017 -3.078 -3.204 -3.350 -3.503 -3.658 -3.814 -3.969 -4.122 -4.274 -4.423 -4.571 -4.718 -4.864 -5.009 -5.300 -5.358 -5.416 -5.475 -5.533 -5.592 -5.650 -5.709 -5.768 -5.827 -5.887 -5.947 -6.007 -6.067 -6.128 -6.189 -6.251 -6.313 -6.376 -6.439 -6.503 99999.999 -3.062 -3.178 -3.316 -3.464 -3.614 -3.765 -3.915 -4.063 -4.208 -4.351 -4.492 -4.632 -4.769 -4.906 -5.179 -5.233 -5.287 -5.342 -5.396 -5.451 -5.505 -5.560 -5.615 -5.670 -5.726 -5.781 -5.837 -5.894 -5.950 -6.007 -6.065 -6.123 -6.181 -6.240 -6.299 pyrrhotite FeS P-T:All Wt.(g/mol) = 87.910 V(cc/mol) = 18.190 D(g/cc) = 4.833 Ref: H&P2011 3 1.000 11 -2.000 31 1.000 4 148.461 134.570 122.538 112.034 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 148.461 134.570 122.538 112.034 102.772 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 148.463 134.572 122.540 112.036 102.774 94.527 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 148.467 134.576 122.543 112.039 102.777 94.530 87.118 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 148.474 134.582 122.550 112.045 102.783 94.536 87.124 80.401 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 148.486 134.592 122.559 112.054 102.792 94.545 87.133 80.411 74.258 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 148.502 134.608 122.574 112.068 102.806 94.559 87.147 80.426 74.274 68.589 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 148.526 134.630 122.595 112.089 102.826 94.579 87.168 80.447 74.298 68.616 63.300 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 148.559 134.660 122.623 112.116 102.853 94.606 87.196 80.477 74.330 68.652 63.344 58.304 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 148.603 134.701 122.662 112.153 102.889 94.642 87.233 80.516 74.372 68.700 63.402 58.380 53.514 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 148.660 134.754 122.712 112.201 102.936 94.690 87.281 80.566 74.427 68.762 63.476 58.475 53.649 48.827 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 148.733 134.821 122.776 112.263 102.996 94.750 87.343 80.631 74.497 68.840 63.568 58.592 53.813 49.084 43.993 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 148.789 134.873 122.825 112.310 103.043 94.796 87.390 80.680 74.550 68.899 63.638 58.680 53.932 49.265 44.346 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 148.869 134.948 122.895 112.378 103.109 94.862 87.457 80.751 74.625 68.982 63.735 58.801 54.094 49.503 44.765 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 148.949 135.021 122.965 112.444 103.174 94.927 87.524 80.819 74.699 69.063 63.829 58.916 54.246 49.720 45.123 36.189 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.028 135.094 123.034 112.511 103.239 94.992 87.589 80.887 74.771 69.143 63.920 59.026 54.389 49.920 45.440 37.587 35.473 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.106 135.166 123.102 112.576 103.303 95.055 87.653 80.954 74.842 69.220 64.008 59.132 54.524 50.104 45.723 38.080 36.344 34.423 32.110 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.183 135.238 123.169 112.641 103.366 95.118 87.717 81.020 74.911 69.296 64.093 59.233 54.651 50.274 45.979 38.424 36.808 35.127 33.323 31.300 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.260 135.309 123.236 112.705 103.429 95.180 87.780 81.085 74.979 69.370 64.176 59.330 54.771 50.432 46.209 38.701 37.148 35.569 33.939 32.222 30.369 28.336 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.336 135.379 123.303 112.769 103.491 95.242 87.842 81.148 75.047 69.442 64.257 59.424 54.884 50.578 46.418 38.938 37.427 35.906 34.363 32.781 31.136 29.402 27.558 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.411 135.449 123.369 112.832 103.552 95.302 87.903 81.211 75.113 69.513 64.335 59.514 54.992 50.714 46.606 39.149 37.667 36.185 34.696 33.189 31.652 30.071 28.431 26.721 24.940 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.486 135.518 123.434 112.895 103.613 95.362 87.964 81.274 75.178 69.583 64.412 59.601 55.095 50.841 46.777 39.339 37.880 36.427 34.975 33.518 32.047 30.554 29.031 27.468 25.862 24.214 22.534 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.560 135.587 123.499 112.957 103.673 95.422 88.023 81.335 75.242 69.651 64.486 59.685 55.192 50.959 46.931 39.514 38.074 36.643 35.219 33.797 32.371 30.936 29.486 28.015 26.520 24.999 23.456 21.897 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.633 135.655 123.563 113.018 103.733 95.481 88.083 81.395 75.305 69.718 64.559 59.766 55.285 51.070 47.071 39.677 38.252 36.840 35.438 34.042 32.649 31.255 29.855 28.446 27.025 25.590 24.142 22.685 21.224 19.768 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.706 135.723 123.627 113.079 103.792 95.539 88.141 81.455 75.367 69.784 64.631 59.845 55.374 51.173 47.198 39.830 38.417 37.020 35.636 34.262 32.895 31.531 30.168 28.804 27.435 26.060 24.680 23.296 21.911 20.531 19.163 99999.999 99999.999 99999.999 99999.999 99999.999 149.779 135.790 123.690 113.139 103.851 95.597 88.199 81.514 75.429 69.849 64.700 59.921 55.460 51.271 47.315 39.974 38.572 37.189 35.820 34.463 33.116 31.777 30.443 29.111 27.781 26.451 25.121 23.791 22.463 21.142 19.831 18.535 17.262 99999.999 99999.999 99999.999 149.850 135.856 123.752 113.199 103.909 95.655 88.257 81.573 75.489 69.913 64.769 59.996 55.542 51.364 47.422 40.110 38.719 37.346 35.990 34.648 33.319 31.999 30.688 29.383 28.082 26.786 25.494 24.205 22.921 21.645 20.379 19.128 17.896 16.687 99999.999 99999.999 149.922 135.922 123.815 113.259 103.967 95.711 88.313 81.631 75.549 69.976 64.836 60.068 55.622 51.453 47.523 40.240 38.857 37.495 36.150 34.821 33.506 32.203 30.910 29.626 28.350 27.081 25.818 24.562 23.312 22.072 20.842 19.627 18.428 17.251 16.098 14.973 149.992 135.988 123.877 113.318 104.024 95.768 88.370 81.688 75.608 70.038 64.902 60.139 55.699 51.538 47.618 40.364 38.990 37.636 36.301 34.983 33.680 32.391 31.115 29.849 28.593 27.345 26.106 24.876 23.654 22.442 21.242 20.055 18.885 17.733 16.604 15.499 150.673 136.620 124.472 113.886 104.574 96.306 88.905 82.228 76.162 70.614 65.509 60.787 56.396 52.295 48.448 41.391 40.067 38.769 37.494 36.243 35.013 33.803 32.613 31.441 30.286 29.148 28.026 26.919 25.827 24.750 23.687 22.638 21.603 20.582 19.575 18.583 151.312 137.215 125.032 114.420 105.088 96.808 89.400 82.723 76.664 71.129 66.044 61.348 56.990 52.928 49.125 42.183 40.886 39.617 38.374 37.155 35.960 34.788 33.637 32.506 31.395 30.302 29.228 28.170 27.129 26.104 25.095 24.100 23.119 22.153 21.201 20.261 151.919 137.781 125.564 114.926 105.574 97.280 89.864 83.184 77.127 71.600 66.528 61.850 57.514 53.479 49.708 42.842 41.563 40.313 39.089 37.891 36.718 35.568 34.440 33.334 32.249 31.183 30.136 29.107 28.096 27.101 26.122 25.159 24.211 23.277 22.357 21.450 152.500 138.322 126.073 115.409 106.038 97.730 90.304 83.619 77.561 72.037 66.974 62.308 57.988 53.972 50.224 43.413 42.146 40.909 39.699 38.515 37.357 36.223 35.111 34.022 32.954 31.906 30.877 29.867 28.875 27.901 26.943 26.000 25.073 24.161 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-9.227 -9.340 -9.451 -9.561 -9.668 -9.770 -9.868 -9.959 -5.807 -5.698 -5.647 -5.639 -5.665 -5.718 -5.794 -5.890 -6.005 -6.137 -6.285 -6.447 -6.622 -6.808 -7.003 -7.420 -7.507 -7.595 -7.685 -7.777 -7.870 -7.964 -8.059 -8.156 -8.254 -8.353 -8.454 -8.555 -8.657 -8.759 -8.862 -8.965 -9.068 -9.171 -9.272 -9.373 -5.731 -5.620 -5.568 -5.558 -5.579 -5.626 -5.695 -5.781 -5.883 -6.000 -6.130 -6.273 -6.426 -6.589 -6.760 -7.123 -7.199 -7.275 -7.353 -7.432 -7.512 -7.594 -7.676 -7.759 -7.844 -7.930 -8.016 -8.104 -8.193 -8.283 -8.374 -8.465 -8.558 -8.651 -8.744 -8.839 -5.676 -5.558 -5.502 -5.488 -5.505 -5.547 -5.609 -5.687 -5.779 -5.884 -6.000 -6.127 -6.263 -6.407 -6.559 -6.880 -6.947 -7.015 -7.083 -7.153 -7.223 -7.294 -7.367 -7.440 -7.514 -7.589 -7.665 -7.742 -7.819 -7.898 -7.978 -8.059 -8.140 -8.223 -8.306 -8.391 -5.638 -5.508 -5.446 -5.428 -5.441 -5.477 -5.533 -5.604 -5.688 -5.783 -5.888 -6.002 -6.124 -6.253 -6.389 -6.676 -6.736 -6.796 -6.857 -6.919 -6.982 -7.045 -7.109 -7.174 -7.240 -7.307 -7.374 -7.442 -7.512 -7.581 -7.652 -7.724 -7.797 -7.870 -7.944 -8.020 -5.614 -5.469 -5.400 -5.376 -5.384 -5.416 -5.466 -5.531 -5.608 -5.694 -5.790 -5.893 -6.003 -6.120 -6.242 -6.501 -6.555 -6.609 -6.664 -6.720 -6.777 -6.834 -6.891 -6.950 -7.009 -7.069 -7.129 -7.190 -7.252 -7.315 -7.379 -7.443 -7.508 -7.574 -7.641 -7.709 -5.601 -5.438 -5.361 -5.331 -5.334 -5.361 -5.407 -5.466 -5.536 -5.616 -5.703 -5.798 -5.898 -6.004 -6.115 -6.349 -6.398 -6.448 -6.498 -6.548 -6.599 -6.651 -6.703 -6.756 -6.810 -6.864 -6.919 -6.974 -7.030 -7.087 -7.145 -7.203 -7.262 -7.322 -7.383 -7.444 -5.597 -5.414 -5.328 -5.292 -5.290 -5.313 -5.353 -5.407 -5.472 -5.546 -5.626 -5.713 -5.804 -5.901 -6.002 -6.216 -6.261 -6.306 -6.351 -6.398 -6.444 -6.491 -6.539 -6.588 -6.636 -6.686 -6.736 -6.787 -6.838 -6.890 -6.943 -6.996 -7.050 -7.105 -7.160 -7.217 99999.999 -5.396 -5.300 -5.259 -5.252 -5.269 -5.305 -5.354 -5.414 -5.482 -5.557 -5.636 -5.721 -5.810 -5.902 -6.098 -6.139 -6.180 -6.222 -6.265 -6.307 -6.351 -6.395 -6.439 -6.484 -6.529 -6.575 -6.622 -6.669 -6.717 -6.766 -6.815 -6.865 -6.916 -6.967 -7.019 pyrrhotiteFe0.875 Fe0.875S P-T:All Wt.(g/mol) = 80.929 V(cc/mol) = 17.380 D(g/cc) = 4.656 Ref: H&P2011 5 0.875 11 -0.125 2 0.250 1 1.000 4 -1.938 31 141.157 127.960 116.518 106.520 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.157 127.961 116.518 106.520 97.698 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.159 127.962 116.520 106.522 97.699 89.837 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.163 127.966 116.524 106.525 97.703 89.841 82.769 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.170 127.972 116.530 106.531 97.708 89.846 82.775 76.356 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.181 127.982 116.539 106.540 97.717 89.855 82.784 76.366 70.487 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.197 127.997 116.553 106.554 97.730 89.868 82.798 76.380 70.503 65.067 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.220 128.018 116.573 106.573 97.749 89.888 82.817 76.401 70.526 65.092 60.006 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.251 128.048 116.601 106.600 97.775 89.914 82.844 76.429 70.556 65.127 60.048 55.221 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.294 128.087 116.638 106.635 97.810 89.949 82.880 76.467 70.597 65.174 60.104 55.293 50.627 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.349 128.137 116.686 106.681 97.856 89.994 82.926 76.516 70.650 65.233 60.175 55.385 50.758 46.122 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.419 128.203 116.747 106.741 97.914 90.052 82.986 76.578 70.717 65.309 60.265 55.499 50.916 46.374 41.459 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.474 128.253 116.795 106.786 97.959 90.097 83.031 76.626 70.769 65.366 60.332 55.584 51.032 46.550 41.812 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.551 128.325 116.863 106.851 98.022 90.160 83.096 76.693 70.841 65.446 60.426 55.701 51.189 46.782 42.224 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.628 128.396 116.930 106.916 98.085 90.223 83.160 76.760 70.912 65.525 60.516 55.812 51.336 46.992 42.573 33.676 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.705 128.466 116.996 106.980 98.147 90.285 83.223 76.825 70.982 65.601 60.604 55.919 51.474 47.186 42.881 35.209 33.085 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.780 128.536 117.062 107.043 98.209 90.346 83.285 76.889 71.050 65.676 60.689 56.021 51.604 47.364 43.156 35.733 34.023 32.111 29.794 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.855 128.605 117.127 107.105 98.270 90.407 83.346 76.953 71.117 65.749 60.771 56.118 51.727 47.528 43.403 36.088 34.510 32.859 31.075 29.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.929 128.673 117.191 107.167 98.330 90.467 83.407 77.015 71.183 65.820 60.852 56.212 51.843 47.681 43.626 36.370 34.861 33.320 31.722 30.031 28.198 26.184 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.003 128.741 117.256 107.229 98.390 90.526 83.467 77.077 71.248 65.890 60.930 56.303 51.953 47.823 43.828 36.609 35.144 33.666 32.161 30.613 28.997 27.289 25.468 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.076 128.809 117.319 107.289 98.449 90.585 83.526 77.138 71.312 65.959 61.005 56.390 52.057 47.954 44.010 36.820 35.386 33.950 32.502 31.034 29.532 27.982 26.370 24.686 22.932 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.148 128.876 117.382 107.350 98.508 90.643 83.584 77.198 71.374 66.026 61.079 56.474 52.156 48.077 44.175 37.010 35.600 34.194 32.786 31.369 29.937 28.479 26.988 25.456 23.878 22.258 20.605 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.220 128.942 117.445 107.410 98.566 90.700 83.642 77.257 71.436 66.092 61.151 56.555 52.251 48.191 44.325 37.184 35.793 34.410 33.032 31.652 30.267 28.870 27.455 26.018 24.554 23.062 21.548 20.017 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.291 129.008 117.506 107.469 98.624 90.757 83.699 77.315 71.497 66.157 61.222 56.633 52.341 48.299 44.460 37.345 35.970 34.606 33.251 31.899 30.549 29.194 27.832 26.459 25.071 23.668 22.250 20.821 19.388 17.959 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.362 129.073 117.568 107.528 98.681 90.813 83.756 77.373 71.557 66.220 61.291 56.710 52.427 48.399 44.584 37.496 36.134 34.786 33.449 32.120 30.796 29.474 28.150 26.823 25.489 24.148 22.800 21.446 20.090 18.738 17.396 99999.999 99999.999 99999.999 99999.999 99999.999 142.432 129.138 117.629 107.586 98.738 90.869 83.811 77.430 71.616 66.283 61.358 56.783 52.510 48.494 44.697 37.637 36.287 34.953 33.631 32.320 31.018 29.721 28.427 27.134 25.841 24.546 23.248 21.950 20.653 19.360 18.077 16.808 15.560 99999.999 99999.999 99999.999 142.501 129.202 117.690 107.644 98.794 90.924 83.867 77.486 71.675 66.345 61.424 56.855 52.589 48.584 44.801 37.771 36.431 35.108 33.800 32.505 31.220 29.943 28.673 27.408 26.145 24.885 23.627 22.372 21.120 19.874 18.637 17.413 16.207 15.023 99999.999 99999.999 142.571 129.266 117.750 107.701 98.849 90.979 83.922 77.542 71.733 66.405 61.489 56.926 52.667 48.670 44.899 37.899 36.568 35.255 33.958 32.676 31.406 30.146 28.896 27.652 26.415 25.183 23.956 22.733 21.517 20.308 19.108 17.921 16.750 15.598 14.469 13.368 142.639 129.330 117.809 107.758 98.905 91.034 83.976 77.597 71.789 66.465 61.553 56.995 52.742 48.753 44.992 38.021 36.698 35.394 34.107 32.836 31.579 30.334 29.100 27.875 26.658 25.449 24.246 23.051 21.863 20.683 19.514 18.357 17.215 16.090 14.986 13.906 143.300 129.942 118.385 108.307 99.435 91.554 84.493 78.119 72.325 67.022 62.140 57.621 53.416 49.487 45.797 39.023 37.751 36.503 35.278 34.074 32.890 31.726 30.579 29.450 28.337 27.240 26.157 25.089 24.035 22.994 21.966 20.952 19.951 18.963 17.988 17.028 143.923 130.519 118.928 108.824 99.933 92.039 84.972 78.598 72.810 67.520 62.658 58.164 53.991 50.099 46.454 39.793 38.548 37.329 36.135 34.963 33.815 32.687 31.580 30.492 29.423 28.371 27.336 26.318 25.315 24.327 23.354 22.395 21.449 20.517 19.597 18.691 144.515 131.068 119.444 109.314 100.404 92.496 85.421 79.044 73.258 67.976 63.126 58.650 54.499 50.633 47.019 40.433 39.205 38.004 36.829 35.678 34.551 33.446 32.362 31.299 30.255 29.230 28.222 27.232 26.259 25.301 24.359 23.431 22.517 21.617 20.731 19.857 145.082 131.594 119.938 109.783 100.853 92.931 85.847 79.465 73.678 68.399 63.557 59.093 54.957 51.111 47.518 40.986 39.771 38.583 37.421 36.285 35.172 34.082 33.014 31.967 30.940 29.933 28.944 27.972 27.018 26.080 25.158 24.251 23.358 22.480 21.615 20.764 145.630 132.102 120.413 110.234 101.285 93.348 86.253 79.865 74.075 68.797 63.959 59.502 55.378 51.546 47.970 41.477 40.271 39.093 37.941 36.815 35.713 34.634 33.578 32.542 31.528 30.533 29.557 28.599 27.658 26.734 25.827 24.934 24.057 23.194 22.344 21.508 146.163 132.595 120.874 110.669 101.701 93.749 86.643 80.247 74.453 69.174 64.338 59.886 55.770 51.947 48.384 41.922 40.723 39.552 38.408 37.289 36.195 35.125 34.077 33.050 32.045 31.059 30.093 29.145 28.215 27.301 26.404 25.522 24.656 23.804 22.966 22.142 146.682 133.075 121.321 111.092 102.104 94.137 87.019 80.615 74.816 69.534 64.698 60.249 56.137 52.322 48.768 42.330 41.136 39.971 38.832 37.720 36.632 35.568 34.527 33.507 32.509 31.530 30.571 29.631 28.708 27.803 26.913 26.040 25.182 24.339 23.509 22.694 99999.999 133.544 121.758 111.503 102.496 94.514 87.384 80.971 75.165 69.879 65.042 60.594 56.485 52.675 49.128 42.708 41.518 40.357 39.223 38.115 37.032 35.973 34.937 33.923 32.930 31.957 31.004 30.070 29.153 28.253 27.371 26.504 25.652 24.815 23.992 23.183 pyroxmangite MnSiO3 P-T:All Wt.(g/mol) = 131.020 V(cc/mol) = 34.720 D(g/cc) = 3.774 Ref: H&P2011 4 1.000 14 1.000 7 -1.000 2 -2.000 1 11.044 9.942 8.964 8.117 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.044 9.942 8.964 8.117 7.382 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.045 9.942 8.965 8.117 7.382 6.739 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.045 9.943 8.966 8.118 7.383 6.740 6.172 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.046 9.944 8.967 8.120 7.384 6.742 6.174 5.665 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.048 9.946 8.969 8.122 7.387 6.744 6.176 5.667 5.205 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.050 9.950 8.973 8.125 7.390 6.748 6.180 5.672 5.210 4.782 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.054 9.954 8.977 8.130 7.395 6.753 6.186 5.678 5.216 4.790 4.385 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.058 9.960 8.984 8.137 7.402 6.760 6.193 5.686 5.225 4.800 4.397 4.002 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.064 9.967 8.992 8.145 7.411 6.770 6.203 5.696 5.237 4.813 4.412 4.022 3.631 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.071 9.977 9.002 8.156 7.423 6.782 6.216 5.710 5.252 4.830 4.432 4.046 3.662 3.278 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.080 9.988 9.015 8.170 7.437 6.797 6.232 5.727 5.271 4.851 4.457 4.077 3.701 3.320 2.967 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.086 9.997 9.025 8.180 7.447 6.808 6.244 5.740 5.285 4.867 4.476 4.100 3.730 3.355 2.958 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.094 10.009 9.038 8.194 7.462 6.823 6.260 5.758 5.305 4.889 4.501 4.132 3.771 3.407 3.002 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.100 10.019 9.050 8.207 7.476 6.838 6.276 5.775 5.323 4.910 4.526 4.162 3.810 3.458 3.066 4.706 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.106 10.029 9.062 8.220 7.489 6.852 6.291 5.792 5.341 4.931 4.550 4.191 3.847 3.507 3.133 3.550 4.015 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.111 10.038 9.072 8.232 7.502 6.866 6.306 5.807 5.359 4.950 4.572 4.219 3.882 3.553 3.200 3.289 3.432 3.708 4.102 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.115 10.046 9.082 8.243 7.514 6.879 6.320 5.823 5.376 4.969 4.594 4.245 3.914 3.596 3.263 3.188 3.228 3.331 3.512 3.758 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.118 10.054 9.092 8.253 7.526 6.891 6.333 5.837 5.392 4.987 4.615 4.269 3.945 3.636 3.321 3.143 3.138 3.167 3.241 3.364 3.527 3.697 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.120 10.060 9.101 8.263 7.536 6.903 6.346 5.851 5.407 5.004 4.635 4.293 3.974 3.673 3.374 3.124 3.095 3.087 3.107 3.159 3.244 3.355 3.475 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.121 10.066 9.109 8.273 7.547 6.914 6.358 5.865 5.422 5.021 4.654 4.315 4.001 3.707 3.422 3.119 3.075 3.047 3.036 3.048 3.083 3.142 3.219 3.304 3.383 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.121 10.072 9.116 8.281 7.556 6.925 6.370 5.877 5.436 5.037 4.672 4.336 4.026 3.738 3.464 3.123 3.070 3.027 2.999 2.986 2.990 3.013 3.053 3.106 3.167 3.227 3.280 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.121 10.076 9.123 8.290 7.566 6.935 6.381 5.890 5.450 5.052 4.689 4.356 4.050 3.767 3.502 3.132 3.072 3.021 2.980 2.951 2.936 2.934 2.946 2.973 3.009 3.053 3.098 3.142 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.120 10.080 9.129 8.297 7.574 6.944 6.391 5.902 5.463 5.067 4.706 4.375 4.072 3.793 3.534 3.144 3.080 3.023 2.974 2.934 2.905 2.886 2.880 2.885 2.900 2.925 2.956 2.990 3.027 3.063 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.118 10.084 9.135 8.304 7.583 6.954 6.402 5.913 5.476 5.081 4.722 4.393 4.092 3.816 3.563 3.159 3.092 3.030 2.976 2.928 2.889 2.859 2.838 2.828 2.826 2.834 2.850 2.872 2.898 2.928 2.960 99999.999 99999.999 99999.999 99999.999 99999.999 11.115 10.087 9.140 8.311 7.590 6.962 6.411 5.924 5.488 5.095 4.737 4.411 4.112 3.838 3.588 3.175 3.105 3.041 2.982 2.929 2.884 2.845 2.814 2.792 2.778 2.772 2.774 2.783 2.798 2.818 2.842 2.871 2.903 99999.999 99999.999 99999.999 11.112 10.089 9.145 8.317 7.598 6.971 6.421 5.934 5.500 5.108 4.752 4.427 4.130 3.858 3.611 3.192 3.121 3.054 2.992 2.936 2.885 2.840 2.802 2.771 2.747 2.730 2.721 2.718 2.722 2.732 2.747 2.767 2.792 2.822 99999.999 99999.999 11.108 10.090 9.149 8.323 7.604 6.978 6.429 5.944 5.511 5.120 4.766 4.443 4.147 3.877 3.631 3.210 3.137 3.069 3.005 2.945 2.891 2.841 2.798 2.760 2.729 2.703 2.685 2.672 2.667 2.667 2.672 2.684 2.700 2.722 2.749 2.782 11.103 10.091 9.153 8.328 7.611 6.986 6.438 5.953 5.521 5.133 4.780 4.458 4.164 3.895 3.650 3.228 3.154 3.085 3.019 2.957 2.900 2.847 2.800 2.757 2.719 2.688 2.662 2.641 2.627 2.619 2.616 2.618 2.626 2.640 2.659 2.683 11.022 10.073 9.164 8.357 7.652 7.038 6.500 6.027 5.607 5.231 4.892 4.584 4.304 4.048 3.814 3.403 3.329 3.257 3.188 3.121 3.057 2.994 2.934 2.876 2.820 2.766 2.715 2.665 2.618 2.573 2.530 2.490 2.452 2.417 2.384 2.354 10.889 10.011 9.136 8.349 7.659 7.057 6.531 6.068 5.659 5.294 4.967 4.672 4.404 4.161 3.938 3.548 3.477 3.409 3.343 3.279 3.216 3.156 3.097 3.040 2.985 2.931 2.878 2.827 2.777 2.728 2.681 2.635 2.590 2.546 2.503 2.462 10.716 9.915 9.076 8.313 7.640 7.051 6.536 6.084 5.685 5.331 5.015 4.731 4.475 4.243 4.031 3.662 3.595 3.531 3.468 3.408 3.349 3.292 3.237 3.183 3.131 3.080 3.030 2.982 2.934 2.888 2.842 2.798 2.754 2.711 2.669 2.627 10.509 9.789 8.992 8.253 7.598 7.023 6.520 6.079 5.690 5.346 5.041 4.767 4.522 4.300 4.099 3.749 3.686 3.626 3.567 3.511 3.456 3.402 3.351 3.301 3.252 3.204 3.158 3.113 3.069 3.026 2.984 2.942 2.901 2.862 2.822 2.783 10.275 9.641 8.886 8.174 7.537 6.978 6.487 6.057 5.678 5.345 5.049 4.785 4.549 4.337 4.146 3.815 3.756 3.699 3.644 3.590 3.539 3.489 3.441 3.395 3.349 3.305 3.262 3.221 3.180 3.140 3.101 3.063 3.026 2.989 2.953 2.918 10.017 9.472 8.761 8.078 7.461 6.917 6.439 6.020 5.652 5.328 5.042 4.787 4.561 4.358 4.175 3.862 3.806 3.753 3.701 3.651 3.603 3.557 3.512 3.468 3.426 3.385 3.346 3.307 3.270 3.233 3.198 3.163 3.129 3.095 3.063 3.030 9.740 9.286 8.622 7.967 7.372 6.843 6.379 5.972 5.614 5.299 5.022 4.776 4.559 4.364 4.190 3.893 3.841 3.791 3.742 3.695 3.650 3.607 3.565 3.525 3.486 3.448 3.411 3.376 3.341 3.308 3.275 3.243 3.212 3.182 3.152 3.123 99999.999 9.086 8.468 7.844 7.270 6.759 6.308 5.912 5.565 5.260 4.992 4.755 4.545 4.359 4.193 3.912 3.862 3.815 3.769 3.726 3.684 3.643 3.604 3.567 3.530 3.495 3.462 3.429 3.397 3.366 3.336 3.307 3.279 3.251 3.224 3.197 pyrophyllite Al2Si4O12H2 P-T:All Wt.(g/mol) = 360.320 V(cc/mol) = 128.040 D(g/cc) = 2.814 Ref: H&P2011 4 2.000 8 4.000 7 -4.000 2 -6.000 1 -0.284 -1.907 -3.508 -4.960 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.284 -1.907 -3.508 -4.960 -6.255 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.282 -1.905 -3.506 -4.957 -6.252 -7.413 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.279 -1.902 -3.502 -4.954 -6.248 -7.409 -8.463 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.275 -1.896 -3.496 -4.947 -6.242 -7.402 -8.456 -9.430 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.268 -1.886 -3.486 -4.936 -6.231 -7.391 -8.444 -9.418 -10.335 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.257 -1.872 -3.471 -4.921 -6.215 -7.374 -8.427 -9.399 -10.315 -11.202 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.242 -1.853 -3.449 -4.899 -6.192 -7.350 -8.402 -9.373 -10.287 -11.170 -12.055 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.222 -1.826 -3.420 -4.868 -6.161 -7.318 -8.368 -9.337 -10.248 -11.127 -12.005 -12.916 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.196 -1.791 -3.382 -4.829 -6.120 -7.276 -8.324 -9.290 -10.197 -11.071 -11.941 -12.838 -13.777 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.164 -1.747 -3.334 -4.778 -6.067 -7.221 -8.267 -9.229 -10.132 -10.999 -11.857 -12.739 -13.661 -14.568 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.125 -1.693 -3.273 -4.714 -6.002 -7.153 -8.195 -9.153 -10.050 -10.908 -11.753 -12.613 -13.509 -14.433 -15.081 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.097 -1.652 -3.228 -4.667 -5.952 -7.101 -8.141 -9.095 -9.988 -10.839 -11.675 -12.519 -13.393 -14.308 -15.241 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.061 -1.597 -3.166 -4.601 -5.883 -7.030 -8.065 -9.015 -9.901 -10.744 -11.565 -12.388 -13.230 -14.115 -15.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.028 -1.545 -3.106 -4.538 -5.817 -6.961 -7.993 -8.938 -9.817 -10.652 -11.460 -12.262 -13.074 -13.920 -14.937 -4.171 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.001 -1.497 -3.050 -4.477 -5.754 -6.894 -7.923 -8.863 -9.737 -10.563 -11.359 -12.141 -12.924 -13.730 -14.689 -10.907 -7.883 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.026 -1.451 -2.997 -4.420 -5.693 -6.830 -7.855 -8.791 -9.659 -10.477 -11.262 -12.026 -12.782 -13.547 -14.436 -12.445 -11.303 -9.358 -6.563 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.048 -1.409 -2.946 -4.364 -5.635 -6.769 -7.790 -8.721 -9.584 -10.395 -11.169 -11.917 -12.647 -13.374 -14.192 -13.087 -12.530 -11.613 -10.221 -8.358 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.066 -1.369 -2.898 -4.312 -5.579 -6.710 -7.727 -8.654 -9.511 -10.315 -11.079 -11.812 -12.520 -13.213 -13.962 -13.411 -13.115 -12.624 -11.875 -10.818 -9.475 -7.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.082 -1.332 -2.852 -4.261 -5.525 -6.653 -7.667 -8.589 -9.441 -10.238 -10.993 -11.712 -12.400 -13.063 -13.752 -13.584 -13.431 -13.156 -12.725 -12.104 -11.273 -10.253 -9.118 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.094 -1.298 -2.809 -4.213 -5.473 -6.598 -7.608 -8.527 -9.373 -10.164 -10.910 -11.617 -12.288 -12.925 -13.562 -13.674 -13.607 -13.459 -13.207 -12.831 -12.311 -11.641 -10.838 -9.947 -9.031 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.103 -1.267 -2.769 -4.168 -5.424 -6.545 -7.552 -8.466 -9.308 -10.092 -10.830 -11.527 -12.183 -12.798 -13.393 -13.713 -13.704 -13.635 -13.495 -13.267 -12.938 -12.499 -11.948 -11.300 -10.582 -9.830 -9.081 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.109 -1.238 -2.730 -4.124 -5.377 -6.495 -7.498 -8.408 -9.244 -10.023 -10.754 -11.441 -12.084 -12.682 -13.243 -13.719 -13.750 -13.736 -13.668 -13.537 -13.332 -13.046 -12.672 -12.213 -11.678 -11.086 -10.457 -9.816 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.210 -3.728 -3.396 -3.137 -2.922 -2.736 -2.572 -2.425 -2.292 -2.172 -2.062 -1.962 -1.872 -1.790 -1.718 -1.606 -1.590 -1.576 -1.564 -1.556 -1.551 -1.549 -1.551 -1.557 -1.566 -1.578 -1.593 -1.610 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.218 -3.731 -3.396 -3.136 -2.919 -2.733 -2.568 -2.421 -2.288 -2.166 -2.056 -1.955 -1.864 -1.782 -1.708 -1.591 -1.573 -1.557 -1.544 -1.533 -1.524 -1.519 -1.516 -1.517 -1.520 -1.527 -1.536 -1.547 -1.559 -1.573 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.226 -3.733 -3.397 -3.135 -2.917 -2.730 -2.564 -2.417 -2.283 -2.161 -2.050 -1.949 -1.857 -1.773 -1.699 -1.577 -1.558 -1.541 -1.525 -1.512 -1.501 -1.493 -1.487 -1.484 -1.483 -1.485 -1.489 -1.495 -1.503 -1.512 -1.522 99999.999 99999.999 99999.999 99999.999 99999.999 -4.234 -3.736 -3.397 -3.134 -2.915 -2.727 -2.561 -2.413 -2.279 -2.156 -2.045 -1.943 -1.850 -1.765 -1.689 -1.564 -1.544 -1.526 -1.509 -1.494 -1.481 -1.470 -1.461 -1.455 -1.451 -1.449 -1.449 -1.452 -1.456 -1.461 -1.467 -1.475 -1.483 99999.999 99999.999 99999.999 -4.243 -3.740 -3.398 -3.133 -2.914 -2.725 -2.558 -2.409 -2.274 -2.152 -2.040 -1.937 -1.843 -1.758 -1.681 -1.552 -1.531 -1.511 -1.493 -1.477 -1.462 -1.450 -1.439 -1.430 -1.423 -1.418 -1.416 -1.414 -1.415 -1.417 -1.420 -1.425 -1.429 -1.435 99999.999 99999.999 -4.252 -3.744 -3.400 -3.133 -2.913 -2.723 -2.556 -2.406 -2.271 -2.147 -2.035 -1.931 -1.837 -1.751 -1.672 -1.541 -1.519 -1.498 -1.479 -1.462 -1.446 -1.431 -1.419 -1.408 -1.399 -1.392 -1.386 -1.382 -1.380 -1.379 -1.379 -1.381 -1.383 -1.386 -1.389 -1.392 -4.262 -3.748 -3.401 -3.134 -2.912 -2.721 -2.553 -2.403 -2.267 -2.143 -2.030 -1.926 -1.831 -1.744 -1.665 -1.530 -1.507 -1.486 -1.466 -1.447 -1.430 -1.414 -1.400 -1.388 -1.377 -1.368 -1.360 -1.354 -1.349 -1.346 -1.344 -1.343 -1.342 -1.343 -1.344 -1.345 -4.383 -3.811 -3.437 -3.152 -2.919 -2.720 -2.544 -2.387 -2.245 -2.116 -1.996 -1.886 -1.785 -1.690 -1.603 -1.449 -1.421 -1.394 -1.368 -1.343 -1.319 -1.296 -1.274 -1.252 -1.232 -1.212 -1.193 -1.176 -1.159 -1.142 -1.127 -1.112 -1.098 -1.085 -1.072 -1.060 -4.537 -3.905 -3.500 -3.196 -2.950 -2.740 -2.556 -2.392 -2.244 -2.108 -1.983 -1.867 -1.760 -1.660 -1.566 -1.398 -1.367 -1.337 -1.308 -1.279 -1.252 -1.225 -1.199 -1.173 -1.148 -1.124 -1.101 -1.079 -1.057 -1.035 -1.015 -0.994 -0.975 -0.956 -0.937 -0.919 -4.720 -4.022 -3.585 -3.261 -3.000 -2.779 -2.586 -2.414 -2.259 -2.117 -1.986 -1.864 -1.751 -1.646 -1.547 -1.368 -1.334 -1.302 -1.270 -1.239 -1.209 -1.179 -1.151 -1.122 -1.095 -1.068 -1.042 -1.016 -0.991 -0.967 -0.943 -0.920 -0.897 -0.875 -0.853 -0.832 -4.925 -4.160 -3.688 -3.343 -3.066 -2.833 -2.630 -2.450 -2.287 -2.138 -2.001 -1.875 -1.756 -1.646 -1.542 -1.352 -1.317 -1.282 -1.248 -1.215 -1.183 -1.151 -1.121 -1.090 -1.061 -1.032 -1.003 -0.976 -0.948 -0.922 -0.896 -0.870 -0.845 -0.820 -0.796 -0.772 -5.149 -4.315 -3.807 -3.439 -3.145 -2.900 -2.686 -2.497 -2.327 -2.171 -2.028 -1.896 -1.772 -1.656 -1.548 -1.348 -1.311 -1.275 -1.239 -1.204 -1.170 -1.137 -1.104 -1.072 -1.041 -1.010 -0.980 -0.950 -0.921 -0.892 -0.864 -0.837 -0.810 -0.784 -0.758 -0.732 -5.389 -4.485 -3.940 -3.547 -3.237 -2.977 -2.753 -2.555 -2.377 -2.214 -2.065 -1.926 -1.797 -1.676 -1.563 -1.355 -1.316 -1.277 -1.240 -1.204 -1.168 -1.133 -1.098 -1.065 -1.032 -0.999 -0.967 -0.936 -0.905 -0.875 -0.846 -0.817 -0.788 -0.760 -0.733 -0.706 -5.643 -4.667 -4.084 -3.666 -3.338 -3.065 -2.829 -2.621 -2.435 -2.265 -2.109 -1.965 -1.830 -1.704 -1.586 -1.369 -1.328 -1.289 -1.250 -1.211 -1.174 -1.137 -1.101 -1.066 -1.032 -0.998 -0.964 -0.932 -0.899 -0.868 -0.837 -0.806 -0.777 -0.747 -0.718 -0.690 99999.999 -4.860 -4.238 -3.795 -3.448 -3.160 -2.913 -2.696 -2.500 -2.323 -2.161 -2.010 -1.870 -1.739 -1.616 -1.390 -1.348 -1.307 -1.266 -1.227 -1.188 -1.149 -1.112 -1.075 -1.039 -1.004 -0.969 -0.935 -0.901 -0.869 -0.836 -0.804 -0.773 -0.742 -0.712 -0.683 rankinite Ca3Si2O7 P-T:All Wt.(g/mol) = 288.410 V(cc/mol) = 96.510 D(g/cc) = 2.988 Ref: H&P2011 4 3.000 9 2.000 7 -1.000 2 -6.000 1 57.043 52.022 47.675 43.922 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.043 52.022 47.675 43.922 40.660 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.045 52.023 47.676 43.924 40.661 37.798 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.047 52.026 47.679 43.926 40.664 37.801 35.261 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.052 52.031 47.684 43.931 40.668 37.805 35.266 32.989 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.060 52.038 47.691 43.938 40.676 37.813 35.274 32.997 30.933 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.071 52.049 47.702 43.949 40.686 37.824 35.285 33.009 30.946 29.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.087 52.065 47.718 43.964 40.702 37.839 35.301 33.026 30.964 29.070 27.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.108 52.087 47.739 43.985 40.723 37.860 35.323 33.049 30.988 29.097 27.330 25.644 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.136 52.115 47.767 44.013 40.750 37.888 35.351 33.079 31.021 29.133 27.372 25.696 24.067 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.172 52.152 47.803 44.049 40.786 37.924 35.388 33.118 31.062 29.179 27.425 25.761 24.148 22.573 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.216 52.198 47.849 44.094 40.831 37.969 35.435 33.167 31.115 29.237 27.492 25.842 24.251 22.687 21.201 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.249 52.232 47.883 44.127 40.864 38.004 35.470 33.204 31.154 29.280 27.542 25.904 24.329 22.781 21.198 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.295 52.279 47.930 44.175 40.912 38.051 35.520 33.255 31.210 29.341 27.612 25.988 24.437 22.919 21.326 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.338 52.325 47.976 44.220 40.957 38.098 35.567 33.306 31.264 29.400 27.680 26.070 24.539 23.053 21.497 24.219 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.379 52.369 48.020 44.264 41.002 38.143 35.614 33.354 31.315 29.457 27.744 26.147 24.637 23.181 21.676 21.592 22.445 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.418 52.411 48.063 44.307 41.044 38.186 35.659 33.401 31.366 29.512 27.807 26.221 24.730 23.302 21.851 20.998 21.120 21.546 22.213 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.455 52.451 48.104 44.348 41.086 38.228 35.702 33.447 31.414 29.565 27.867 26.292 24.817 23.416 22.016 20.773 20.660 20.694 20.904 21.251 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.490 52.490 48.143 44.388 41.126 38.269 35.744 33.491 31.462 29.617 27.924 26.359 24.899 23.522 22.168 20.679 20.461 20.328 20.299 20.381 20.547 20.713 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.523 52.527 48.181 44.426 41.165 38.309 35.785 33.534 31.508 29.666 27.980 26.423 24.977 23.621 22.308 20.645 20.372 20.153 20.002 19.926 19.926 19.981 20.046 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.553 52.562 48.218 44.463 41.202 38.347 35.825 33.576 31.552 29.715 28.033 26.485 25.050 23.711 22.433 20.644 20.337 20.070 19.849 19.682 19.572 19.516 19.499 19.495 19.473 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.582 52.596 48.253 44.499 41.239 38.384 35.863 33.616 31.595 29.761 28.085 26.543 25.118 23.795 22.546 20.662 20.334 20.036 19.773 19.550 19.370 19.235 19.140 19.075 19.024 18.969 18.893 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.609 52.628 48.287 44.533 41.274 38.420 35.901 33.656 31.637 29.806 28.135 26.599 25.182 23.871 22.645 20.693 20.349 20.031 19.741 19.482 19.257 19.067 18.912 18.790 18.692 18.609 18.529 18.444 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.635 52.658 48.319 44.567 41.308 38.455 35.937 33.694 31.677 29.850 28.183 26.652 25.243 23.941 22.733 20.731 20.377 20.045 19.736 19.453 19.197 18.970 18.772 18.604 18.462 18.341 18.235 18.138 18.044 17.950 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.659 52.688 48.350 44.599 41.341 38.489 35.972 33.731 31.717 29.893 28.229 26.704 25.300 24.006 22.810 20.774 20.413 20.071 19.749 19.449 19.171 18.918 18.689 18.486 18.308 18.152 18.016 17.895 17.785 17.684 17.589 99999.999 99999.999 99999.999 99999.999 99999.999 57.681 52.716 48.380 44.630 41.372 38.522 36.006 33.767 31.755 29.934 28.274 26.753 25.354 24.066 22.878 20.820 20.454 20.105 19.774 19.461 19.168 18.896 18.645 18.416 18.210 18.024 17.859 17.712 17.580 17.462 17.355 17.258 17.173 99999.999 99999.999 99999.999 57.701 52.742 48.409 44.660 41.403 38.554 36.039 33.801 31.792 29.974 28.317 26.800 25.405 24.122 22.939 20.869 20.499 20.145 19.807 19.485 19.181 18.895 18.627 18.379 18.150 17.942 17.752 17.581 17.426 17.287 17.163 17.052 16.953 16.868 99999.999 99999.999 57.720 52.768 48.437 44.689 41.433 38.584 36.071 33.835 31.828 30.013 28.359 26.845 25.454 24.174 22.995 20.918 20.546 20.188 19.845 19.517 19.204 18.908 18.628 18.365 18.120 17.892 17.683 17.490 17.315 17.156 17.012 16.884 16.769 16.669 16.584 16.514 57.737 52.792 48.463 44.717 41.462 38.614 36.102 33.868 31.863 30.051 28.400 26.890 25.502 24.224 23.048 20.969 20.594 20.234 19.887 19.554 19.235 18.931 18.642 18.368 18.110 17.868 17.642 17.432 17.239 17.061 16.899 16.753 16.621 16.504 16.402 16.315 57.835 52.969 48.673 44.943 41.700 38.865 36.366 34.148 32.164 30.376 28.753 27.271 25.913 24.664 23.511 21.458 21.082 20.718 20.364 20.019 19.684 19.359 19.042 18.734 18.435 18.144 17.862 17.588 17.322 17.064 16.815 16.574 16.341 16.117 15.902 15.695 57.816 53.050 48.796 45.090 41.864 39.043 36.559 34.356 32.390 30.622 29.022 27.566 26.234 25.010 23.883 21.874 21.506 21.149 20.801 20.463 20.134 19.813 19.500 19.194 18.896 18.605 18.321 18.044 17.772 17.507 17.247 16.993 16.745 16.501 16.264 16.031 57.705 53.053 48.851 45.174 41.969 39.164 36.695 34.508 32.558 30.809 29.229 27.795 26.485 25.285 24.180 22.216 21.857 21.508 21.169 20.839 20.517 20.204 19.899 19.601 19.311 19.027 18.749 18.478 18.212 17.952 17.697 17.446 17.201 16.960 16.724 16.492 57.518 52.993 48.849 45.207 42.025 39.238 36.785 34.614 32.680 30.948 29.386 27.971 26.682 25.502 24.419 22.496 22.145 21.804 21.473 21.151 20.838 20.533 20.236 19.946 19.663 19.387 19.117 18.854 18.596 18.343 18.095 17.853 17.614 17.381 17.151 16.925 57.270 52.881 48.800 45.196 42.040 39.274 36.838 34.683 32.765 31.048 29.503 28.106 26.835 25.674 24.610 22.725 22.381 22.048 21.725 21.410 21.105 20.807 20.517 20.235 19.960 19.691 19.429 19.173 18.922 18.677 18.437 18.202 17.972 17.745 17.523 17.305 56.971 52.726 48.713 45.149 42.021 39.277 36.860 34.721 32.818 31.116 29.587 28.206 26.952 25.809 24.761 22.911 22.575 22.249 21.932 21.625 21.326 21.035 20.752 20.477 20.208 19.947 19.692 19.442 19.199 18.961 18.728 18.500 18.276 18.057 17.842 17.631 56.628 52.533 48.591 45.070 41.973 39.252 36.854 34.732 32.844 31.158 29.643 28.277 27.039 25.911 24.880 23.062 22.732 22.413 22.102 21.801 21.508 21.224 20.947 20.678 20.416 20.161 19.912 19.669 19.432 19.200 18.973 18.752 18.535 18.322 18.113 17.909 99999.999 52.308 48.441 44.965 41.900 39.203 36.825 34.720 32.848 31.176 29.676 28.324 27.100 25.987 24.971 23.183 22.859 22.545 22.241 21.945 21.658 21.380 21.109 20.846 20.589 20.340 20.096 19.859 19.628 19.402 19.181 18.965 18.753 18.546 18.343 18.144 riebeckite Na2Fe5Si8O24H2 P-T:All Wt.(g/mol) = 935.900 V(cc/mol) = 274.900 D(g/cc) = 3.405 Ref: H&P2011 7 2.000 13 5.000 11 8.000 7 -9.000 2 0.250 4 -11.750 1 -0.250 6 32.703 29.205 25.864 22.909 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.703 29.205 25.864 22.909 20.340 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.706 29.208 25.867 22.913 20.343 18.104 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.711 29.214 25.873 22.919 20.350 18.110 16.136 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.719 29.224 25.884 22.930 20.361 18.122 16.148 14.379 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.732 29.240 25.900 22.947 20.379 18.140 16.167 14.399 12.783 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.751 29.263 25.925 22.972 20.405 18.167 16.195 14.429 12.815 11.296 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.777 29.296 25.960 23.009 20.442 18.205 16.235 14.472 12.861 11.348 9.865 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.812 29.340 26.007 23.057 20.492 18.257 16.290 14.530 12.924 11.418 9.947 8.438 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.858 29.397 26.069 23.122 20.558 18.325 16.361 14.606 13.007 11.510 10.053 8.569 6.992 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.913 29.469 26.147 23.203 20.642 18.413 16.453 14.703 13.112 11.627 10.190 8.735 7.200 5.554 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.979 29.558 26.244 23.304 20.747 18.521 16.567 14.825 13.244 11.774 10.360 8.943 7.461 5.854 4.210 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.026 29.622 26.316 23.379 20.825 18.603 16.653 14.917 13.344 11.884 10.487 9.098 7.658 6.096 4.260 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.086 29.710 26.414 23.483 20.933 18.716 16.772 15.044 13.482 12.037 10.664 9.312 7.929 6.443 4.610 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.138 29.790 26.505 23.581 21.036 18.824 16.886 15.166 13.614 12.184 10.833 9.516 8.187 6.779 5.045 14.035 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.183 29.865 26.592 23.674 21.133 18.927 16.995 15.283 13.741 12.325 10.995 9.710 8.431 7.099 5.491 8.322 10.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.221 29.933 26.672 23.761 21.226 19.025 17.100 15.395 13.863 12.461 11.149 9.895 8.662 7.400 5.923 7.095 7.896 9.345 11.314 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.252 29.995 26.748 23.844 21.315 19.119 17.200 15.503 13.980 12.590 11.297 10.070 8.879 7.683 6.328 6.669 6.964 7.558 8.521 9.768 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.275 30.052 26.818 23.922 21.398 19.208 17.295 15.606 14.093 12.715 11.439 10.237 9.083 7.945 6.703 6.519 6.592 6.828 7.273 7.945 8.783 9.612 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.293 30.103 26.883 23.995 21.478 19.293 17.387 15.705 14.201 12.835 11.575 10.395 9.275 8.188 7.045 6.496 6.452 6.509 6.693 7.025 7.506 8.092 8.688 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.304 30.148 26.944 24.064 21.553 19.374 17.474 15.800 14.305 12.950 11.705 10.545 9.455 8.412 7.353 6.540 6.427 6.382 6.422 6.560 6.807 7.155 7.575 8.011 8.396 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.308 30.189 26.999 24.129 21.624 19.451 17.557 15.891 14.404 13.060 11.829 10.688 9.623 8.619 7.629 6.622 6.466 6.359 6.311 6.332 6.432 6.612 6.866 7.172 7.498 7.803 8.057 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.307 30.224 27.050 24.189 21.691 19.524 17.637 15.978 14.500 13.166 11.948 10.824 9.781 8.808 7.875 6.727 6.542 6.395 6.292 6.239 6.244 6.311 6.440 6.624 6.851 7.097 7.343 7.568 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.300 30.254 27.097 24.245 21.754 19.593 17.713 16.061 14.592 13.268 12.061 10.953 9.929 8.982 8.092 6.845 6.642 6.468 6.328 6.226 6.168 6.157 6.197 6.286 6.420 6.589 6.780 6.980 7.179 7.371 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 33.287 30.279 27.139 24.297 21.813 19.659 17.785 16.140 14.680 13.366 12.171 11.075 10.068 9.141 8.284 6.972 6.756 6.564 6.398 6.263 6.162 6.098 6.075 6.093 6.151 6.247 6.374 6.524 6.691 6.868 7.053 99999.999 99999.999 99999.999 99999.999 99999.999 33.268 30.300 27.177 24.346 21.869 19.721 17.854 16.216 14.764 13.459 12.275 11.192 10.199 9.289 8.455 7.104 6.879 6.674 6.491 6.333 6.201 6.100 6.031 5.997 5.998 6.033 6.100 6.197 6.317 6.458 6.617 6.793 6.988 99999.999 99999.999 99999.999 33.245 30.316 27.212 24.390 21.921 19.780 17.919 16.289 14.845 13.549 12.375 11.304 10.323 9.426 8.608 7.239 7.008 6.794 6.599 6.424 6.271 6.143 6.042 5.969 5.925 5.913 5.930 5.976 6.050 6.148 6.270 6.414 6.580 6.771 99999.999 99999.999 33.216 30.328 27.242 24.431 21.970 19.836 17.981 16.358 14.922 13.636 12.472 11.411 10.441 9.554 8.747 7.374 7.139 6.920 6.716 6.529 6.362 6.214 6.089 5.987 5.910 5.860 5.837 5.841 5.872 5.929 6.010 6.117 6.248 6.405 6.588 6.802 33.181 30.336 27.268 24.468 22.015 19.888 18.040 16.424 14.996 13.719 12.564 11.514 10.554 9.677 8.878 7.509 7.272 7.049 6.839 6.644 6.466 6.304 6.161 6.038 5.937 5.858 5.802 5.771 5.765 5.784 5.828 5.897 5.992 6.112 6.258 6.434 32.587 30.196 27.339 24.665 22.302 20.250 18.473 16.928 15.577 14.382 13.317 12.359 11.492 10.706 9.992 8.747 8.524 8.308 8.099 7.897 7.702 7.513 7.331 7.154 6.985 6.821 6.665 6.515 6.373 6.239 6.112 5.995 5.887 5.789 5.701 5.624 31.602 29.726 27.115 24.590 22.334 20.367 18.665 17.194 15.915 14.797 13.811 12.935 12.152 11.449 10.816 9.724 9.529 9.340 9.158 8.981 8.810 8.644 8.482 8.324 8.171 8.020 7.874 7.730 7.590 7.453 7.318 7.187 7.058 6.932 6.809 6.689 30.308 28.992 26.654 24.298 22.161 20.288 18.667 17.270 16.064 15.018 14.106 13.306 12.599 11.972 11.413 10.467 10.300 10.140 9.986 9.837 9.693 9.554 9.419 9.288 9.160 9.035 8.913 8.794 8.676 8.561 8.447 8.334 8.223 8.113 8.003 7.894 28.761 28.042 25.999 23.826 21.819 20.049 18.514 17.194 16.060 15.084 14.243 13.512 12.876 12.319 11.830 11.020 10.880 10.746 10.618 10.496 10.378 10.265 10.156 10.051 9.949 9.850 9.754 9.660 9.568 9.477 9.388 9.300 9.213 9.126 9.040 8.954 27.005 26.911 25.181 23.204 21.337 19.676 18.232 16.991 15.929 15.023 14.249 13.585 13.016 12.525 12.101 11.417 11.302 11.193 11.089 10.991 10.898 10.810 10.725 10.644 10.566 10.491 10.419 10.349 10.281 10.215 10.150 10.085 10.022 9.959 9.897 9.834 25.074 25.628 24.226 22.455 20.736 19.189 17.840 16.681 15.693 14.855 14.146 13.547 13.041 12.613 12.250 11.685 11.593 11.507 11.426 11.351 11.281 11.215 11.152 11.094 11.038 10.986 10.936 10.888 10.842 10.798 10.754 10.712 10.671 10.630 10.590 10.550 22.993 24.215 23.152 21.596 20.032 18.605 17.353 16.278 15.366 14.597 13.953 13.416 12.970 12.601 12.297 11.844 11.774 11.710 11.651 11.597 11.547 11.502 11.461 11.423 11.388 11.356 11.326 11.299 11.273 11.249 11.226 11.204 11.183 11.163 11.142 11.122 99999.999 22.689 21.975 20.642 19.238 17.935 16.785 15.796 14.960 14.260 13.680 13.204 12.817 12.505 12.256 11.910 11.861 11.817 11.779 11.745 11.715 11.689 11.668 11.649 11.633 11.620 11.609 11.601 11.594 11.588 11.584 11.580 11.578 11.575 11.573 11.571 riebeckite Na2Fe5Si8O24H2 P-T:All Wt.(g/mol) = 935.900 V(cc/mol) = 274.900 D(g/cc) = 3.405 Ref: H&P2011 6 2.000 13 5.000 11 8.000 7 -9.000 2 0.500 31 -12.000 1 -5.321 -5.374 -5.746 -6.119 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.321 -5.374 -5.746 -6.119 -6.422 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.319 -5.371 -5.743 -6.116 -6.419 -6.651 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.315 -5.366 -5.738 -6.110 -6.413 -6.645 -6.824 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.308 -5.358 -5.728 -6.101 -6.403 -6.634 -6.813 -6.965 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.298 -5.344 -5.714 -6.085 -6.387 -6.618 -6.796 -6.947 -7.095 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.282 -5.324 -5.692 -6.063 -6.364 -6.594 -6.771 -6.919 -7.065 -7.240 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.260 -5.295 -5.661 -6.030 -6.331 -6.559 -6.734 -6.880 -7.023 -7.193 -7.434 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.231 -5.257 -5.619 -5.987 -6.286 -6.512 -6.685 -6.828 -6.965 -7.128 -7.359 -7.710 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.194 -5.207 -5.564 -5.930 -6.226 -6.450 -6.620 -6.758 -6.890 -7.044 -7.261 -7.590 -8.071 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.149 -5.145 -5.496 -5.858 -6.151 -6.372 -6.537 -6.669 -6.793 -6.936 -7.136 -7.437 -7.883 -8.466 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.097 -5.070 -5.412 -5.768 -6.058 -6.274 -6.433 -6.559 -6.673 -6.802 -6.980 -7.247 -7.644 -8.206 -8.757 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.061 -5.015 -5.350 -5.702 -5.989 -6.201 -6.356 -6.476 -6.582 -6.701 -6.863 -7.104 -7.464 -7.989 -8.775 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.016 -4.943 -5.266 -5.612 -5.893 -6.101 -6.249 -6.361 -6.457 -6.561 -6.701 -6.907 -7.216 -7.676 -8.492 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.979 -4.876 -5.187 -5.527 -5.803 -6.005 -6.147 -6.251 -6.337 -6.427 -6.546 -6.720 -6.979 -7.370 -8.109 3.367 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.949 -4.816 -5.115 -5.447 -5.718 -5.914 -6.050 -6.145 -6.222 -6.299 -6.398 -6.542 -6.754 -7.077 -7.706 -2.882 0.099 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.926 -4.762 -5.047 -5.372 -5.637 -5.828 -5.957 -6.045 -6.112 -6.176 -6.257 -6.373 -6.542 -6.800 -7.311 -4.266 -3.032 -1.087 1.473 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.911 -4.714 -4.985 -5.302 -5.561 -5.746 -5.869 -5.949 -6.006 -6.059 -6.123 -6.213 -6.343 -6.540 -6.939 -4.783 -4.101 -3.096 -1.684 0.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.902 -4.672 -4.929 -5.237 -5.489 -5.668 -5.785 -5.857 -5.905 -5.946 -5.994 -6.060 -6.156 -6.299 -6.594 -4.997 -4.560 -3.949 -3.112 -2.023 -0.736 0.572 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.899 -4.635 -4.877 -5.176 -5.422 -5.595 -5.705 -5.770 -5.809 -5.838 -5.871 -5.916 -5.980 -6.076 -6.279 -5.070 -4.764 -4.352 -3.804 -3.096 -2.223 -1.225 -0.198 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.904 -4.603 -4.829 -5.120 -5.359 -5.526 -5.629 -5.686 -5.717 -5.735 -5.754 -5.779 -5.816 -5.871 -5.995 -5.068 -4.840 -4.542 -4.156 -3.665 -3.058 -2.336 -1.531 -0.699 0.092 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.914 -4.577 -4.787 -5.068 -5.300 -5.460 -5.557 -5.607 -5.628 -5.636 -5.642 -5.650 -5.663 -5.682 -5.742 -5.023 -4.844 -4.616 -4.329 -3.970 -3.529 -3.001 -2.391 -1.721 -1.026 -0.345 0.286 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.930 -4.556 -4.749 -5.020 -5.245 -5.398 -5.488 -5.531 -5.544 -5.542 -5.535 -5.527 -5.519 -5.510 -5.517 -4.950 -4.804 -4.623 -4.400 -4.125 -3.792 -3.393 -2.928 -2.403 -1.831 -1.235 -0.638 -0.061 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.952 -4.539 -4.715 -4.976 -5.193 -5.340 -5.424 -5.459 -5.463 -5.451 -5.433 -5.411 -5.385 -5.352 -5.319 -4.860 -4.737 -4.588 -4.407 -4.189 -3.928 -3.618 -3.256 -2.843 -2.382 -1.883 -1.361 -0.828 -0.298 0.223 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.980 -4.528 -4.686 -4.936 -5.145 -5.286 -5.362 -5.390 -5.386 -5.365 -5.335 -5.301 -5.260 -5.208 -5.145 -4.759 -4.652 -4.526 -4.375 -4.196 -3.985 -3.737 -3.448 -3.117 -2.745 -2.334 -1.891 -1.424 -0.942 -0.451 0.045 99999.999 99999.999 99999.999 99999.999 99999.999 -5.013 -4.521 -4.660 -4.900 -5.101 -5.235 -5.305 -5.325 -5.313 -5.282 -5.242 -5.196 -5.142 -5.075 -4.992 -4.652 -4.556 -4.445 -4.316 -4.165 -3.989 -3.785 -3.549 -3.280 -2.975 -2.636 -2.265 -1.865 -1.441 -0.999 -0.541 -0.069 0.416 99999.999 99999.999 99999.999 -5.051 -4.518 -4.639 -4.867 -5.061 -5.187 -5.250 -5.263 -5.243 -5.203 -5.153 -5.096 -5.031 -4.953 -4.855 -4.540 -4.453 -4.353 -4.239 -4.108 -3.958 -3.785 -3.588 -3.365 -3.112 -2.830 -2.518 -2.178 -1.812 -1.422 -1.012 -0.582 -0.133 0.335 99999.999 99999.999 -5.095 -4.520 -4.622 -4.838 -5.023 -5.143 -5.199 -5.204 -5.176 -5.127 -5.068 -5.001 -4.925 -4.838 -4.731 -4.427 -4.345 -4.253 -4.150 -4.033 -3.902 -3.753 -3.585 -3.395 -3.182 -2.944 -2.680 -2.391 -2.076 -1.737 -1.375 -0.991 -0.586 -0.159 0.291 0.765 -5.144 -4.526 -4.608 -4.813 -4.989 -5.102 -5.150 -5.149 -5.112 -5.055 -4.986 -4.910 -4.825 -4.728 -4.615 -4.312 -4.234 -4.148 -4.052 -3.947 -3.829 -3.698 -3.551 -3.387 -3.204 -3.000 -2.775 -2.527 -2.256 -1.962 -1.645 -1.306 -0.944 -0.560 -0.154 0.277 -5.883 -4.799 -4.661 -4.733 -4.813 -4.846 -4.821 -4.746 -4.632 -4.492 -4.337 -4.171 -3.997 -3.818 -3.631 -3.235 -3.153 -3.070 -2.986 -2.900 -2.814 -2.727 -2.638 -2.548 -2.456 -2.362 -2.265 -2.165 -2.061 -1.954 -1.841 -1.724 -1.600 -1.470 -1.332 -1.187 -7.008 -5.397 -5.005 -4.920 -4.888 -4.831 -4.726 -4.576 -4.388 -4.171 -3.936 -3.689 -3.435 -3.176 -2.913 -2.381 -2.274 -2.168 -2.062 -1.957 -1.852 -1.749 -1.646 -1.545 -1.444 -1.345 -1.247 -1.150 -1.055 -0.961 -0.867 -0.775 -0.684 -0.593 -0.503 -0.414 -8.441 -6.257 -5.582 -5.321 -5.164 -5.007 -4.818 -4.590 -4.327 -4.037 -3.728 -3.406 -3.077 -2.745 -2.410 -1.740 -1.607 -1.475 -1.344 -1.213 -1.084 -0.957 -0.831 -0.707 -0.584 -0.464 -0.345 -0.229 -0.116 -0.005 0.104 0.210 0.313 0.414 0.511 0.606 -10.125 -7.331 -6.350 -5.898 -5.604 -5.340 -5.061 -4.754 -4.416 -4.054 -3.674 -3.282 -2.883 -2.480 -2.077 -1.277 -1.119 -0.962 -0.806 -0.651 -0.497 -0.345 -0.195 -0.047 0.099 0.243 0.384 0.523 0.659 0.793 0.923 1.051 1.175 1.296 1.413 1.528 -12.015 -8.582 -7.278 -6.623 -6.183 -5.805 -5.431 -5.041 -4.629 -4.196 -3.746 -3.286 -2.821 -2.353 -1.886 -0.962 -0.779 -0.598 -0.419 -0.241 -0.064 0.111 0.284 0.455 0.624 0.790 0.954 1.116 1.274 1.430 1.583 1.732 1.878 2.021 2.160 2.296 -14.081 -9.984 -8.343 -7.473 -6.879 -6.381 -5.909 -5.433 -4.944 -4.440 -3.924 -3.399 -2.869 -2.339 -1.810 -0.769 -0.564 -0.361 -0.159 0.041 0.240 0.437 0.631 0.824 1.014 1.202 1.387 1.569 1.749 1.925 2.099 2.269 2.436 2.600 2.760 2.917 -16.295 -11.515 -9.523 -8.431 -7.676 -7.053 -6.478 -5.915 -5.349 -4.774 -4.191 -3.602 -3.011 -2.420 -1.834 -0.681 -0.454 -0.230 -0.007 0.215 0.434 0.651 0.866 1.078 1.288 1.496 1.701 1.903 2.102 2.298 2.491 2.681 2.867 3.050 3.229 3.405 99999.999 -13.157 -10.805 -9.482 -8.561 -7.809 -7.128 -6.475 -5.829 -5.183 -4.534 -3.883 -3.232 -2.584 -1.941 -0.681 -0.434 -0.189 0.054 0.295 0.533 0.770 1.004 1.236 1.464 1.691 1.914 2.134 2.352 2.566 2.777 2.984 3.188 3.389 3.586 3.779 ringwoodite-Fe Fe2SiO4 P-T:All Wt.(g/mol) = 203.771 V(cc/mol) = 42.030 D(g/cc) = 4.848 Ref: H&P2011 3 2.000 11 1.000 7 -4.000 1 24.228 21.524 19.185 17.172 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.228 21.524 19.185 17.172 15.426 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.228 21.525 19.186 17.172 15.427 13.897 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.230 21.526 19.188 17.174 15.428 13.899 12.543 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.232 21.529 19.190 17.177 15.431 13.901 12.546 11.330 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.236 21.533 19.194 17.181 15.435 13.906 12.551 11.335 10.229 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.241 21.539 19.200 17.187 15.441 13.912 12.557 11.342 10.237 9.217 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.249 21.547 19.209 17.196 15.450 13.921 12.567 11.352 10.248 9.230 8.269 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.260 21.559 19.221 17.207 15.462 13.934 12.580 11.366 10.264 9.247 8.289 7.364 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.273 21.574 19.236 17.223 15.478 13.950 12.597 11.385 10.284 9.270 8.317 7.398 6.497 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.291 21.593 19.256 17.243 15.498 13.971 12.619 11.408 10.310 9.299 8.351 7.441 6.550 5.685 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.312 21.617 19.281 17.268 15.524 13.998 12.647 11.438 10.343 9.336 8.395 7.495 6.618 5.753 4.993 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.328 21.635 19.299 17.287 15.543 14.018 12.668 11.461 10.367 9.364 8.427 7.536 6.670 5.813 4.945 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.349 21.659 19.325 17.314 15.570 14.046 12.698 11.492 10.402 9.402 8.472 7.592 6.743 5.904 5.006 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.369 21.683 19.350 17.339 15.596 14.073 12.726 11.523 10.435 9.439 8.516 7.646 6.812 5.994 5.114 8.742 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.387 21.705 19.373 17.363 15.621 14.099 12.753 11.552 10.467 9.475 8.558 7.697 6.878 6.082 5.235 6.099 7.154 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.404 21.726 19.396 17.386 15.645 14.124 12.780 11.580 10.498 9.510 8.598 7.746 6.941 6.165 5.356 5.482 5.803 6.434 7.352 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.420 21.746 19.418 17.409 15.669 14.148 12.805 11.608 10.528 9.543 8.636 7.792 7.000 6.243 5.471 5.226 5.314 5.547 5.961 6.536 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.434 21.765 19.438 17.430 15.691 14.171 12.830 11.634 10.557 9.575 8.673 7.837 7.055 6.316 5.578 5.099 5.083 5.147 5.314 5.598 5.981 6.395 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.448 21.783 19.458 17.451 15.712 14.194 12.854 11.660 10.585 9.606 8.709 7.879 7.107 6.383 5.675 5.034 4.960 4.938 4.980 5.099 5.297 5.560 5.851 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.460 21.800 19.477 17.471 15.733 14.215 12.877 11.685 10.612 9.636 8.743 7.918 7.155 6.444 5.762 5.001 4.893 4.821 4.793 4.816 4.897 5.034 5.218 5.425 5.629 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.471 21.816 19.495 17.490 15.753 14.236 12.899 11.709 10.638 9.665 8.775 7.956 7.200 6.500 5.840 4.989 4.858 4.754 4.682 4.648 4.655 4.706 4.800 4.928 5.077 5.230 5.373 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.480 21.831 19.512 17.508 15.772 14.257 12.921 11.732 10.663 9.693 8.807 7.992 7.242 6.551 5.907 4.990 4.844 4.718 4.618 4.545 4.504 4.497 4.525 4.586 4.675 4.782 4.897 5.012 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.489 21.845 19.528 17.526 15.791 14.276 12.942 11.754 10.688 9.720 8.837 8.026 7.281 6.597 5.966 5.000 4.842 4.702 4.581 4.483 4.409 4.362 4.343 4.353 4.390 4.449 4.525 4.612 4.704 4.798 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.497 21.858 19.543 17.543 15.809 14.295 12.962 11.776 10.711 9.746 8.866 8.059 7.318 6.639 6.017 5.016 4.850 4.699 4.564 4.447 4.350 4.275 4.222 4.194 4.189 4.207 4.244 4.297 4.362 4.436 4.516 99999.999 99999.999 99999.999 99999.999 99999.999 24.503 21.871 19.558 17.559 15.826 14.313 12.981 11.797 10.734 9.772 8.894 8.090 7.352 6.677 6.060 5.037 4.864 4.704 4.559 4.429 4.315 4.219 4.142 4.086 4.049 4.033 4.036 4.056 4.092 4.140 4.198 4.266 4.343 99999.999 99999.999 99999.999 24.509 21.882 19.572 17.574 15.842 14.331 13.000 11.817 10.757 9.796 8.921 8.120 7.385 6.712 6.099 5.060 4.882 4.717 4.563 4.423 4.297 4.186 4.090 4.012 3.952 3.909 3.884 3.875 3.883 3.904 3.939 3.985 4.042 4.110 99999.999 99999.999 24.513 21.893 19.585 17.589 15.858 14.347 13.018 11.837 10.778 9.820 8.947 8.148 7.416 6.745 6.133 5.085 4.904 4.734 4.574 4.426 4.291 4.168 4.059 3.964 3.885 3.821 3.773 3.741 3.724 3.721 3.732 3.755 3.791 3.839 3.898 3.969 24.517 21.903 19.598 17.603 15.873 14.364 13.036 11.856 10.799 9.843 8.973 8.176 7.446 6.777 6.166 5.112 4.928 4.754 4.590 4.436 4.293 4.161 4.042 3.935 3.841 3.761 3.694 3.642 3.604 3.580 3.569 3.571 3.586 3.612 3.651 3.702 24.506 21.962 19.688 17.711 15.994 14.496 13.180 12.015 10.975 10.038 9.189 8.414 7.704 7.053 6.455 5.398 5.207 5.023 4.844 4.671 4.504 4.343 4.187 4.036 3.891 3.752 3.618 3.489 3.366 3.249 3.137 3.032 2.932 2.838 2.750 2.669 24.422 21.962 19.725 17.769 16.067 14.583 13.279 12.127 11.102 10.181 9.350 8.594 7.904 7.271 6.689 5.658 5.470 5.288 5.112 4.940 4.773 4.611 4.453 4.300 4.150 4.005 3.863 3.725 3.590 3.458 3.330 3.205 3.083 2.964 2.849 2.735 24.281 21.913 19.718 17.787 16.103 14.633 13.342 12.203 11.191 10.285 9.470 8.730 8.057 7.441 6.875 5.874 5.692 5.515 5.343 5.176 5.014 4.856 4.702 4.552 4.406 4.263 4.123 3.987 3.853 3.723 3.594 3.469 3.346 3.224 3.105 2.988 24.093 21.824 19.677 17.774 16.109 14.654 13.377 12.250 11.250 10.358 9.557 8.832 8.174 7.574 7.023 6.051 5.874 5.703 5.537 5.375 5.218 5.065 4.916 4.771 4.629 4.491 4.356 4.224 4.095 3.968 3.844 3.723 3.603 3.485 3.369 3.255 23.867 21.704 19.606 17.733 16.090 14.651 13.387 12.273 11.286 10.406 9.617 8.906 8.262 7.676 7.140 6.195 6.024 5.857 5.696 5.540 5.388 5.240 5.096 4.956 4.820 4.686 4.556 4.429 4.305 4.183 4.064 3.947 3.832 3.719 3.608 3.498 23.610 21.557 19.511 17.670 16.049 14.627 13.378 12.276 11.301 10.433 9.656 8.958 8.326 7.753 7.230 6.311 6.144 5.983 5.827 5.675 5.528 5.385 5.246 5.111 4.979 4.851 4.726 4.603 4.484 4.367 4.252 4.140 4.030 3.921 3.815 3.710 23.325 21.387 19.396 17.588 15.990 14.586 13.351 12.263 11.299 10.443 9.677 8.990 8.371 7.809 7.298 6.403 6.241 6.085 5.933 5.786 5.643 5.505 5.370 5.239 5.112 4.988 4.867 4.749 4.634 4.522 4.412 4.304 4.198 4.094 3.992 3.892 99999.999 21.197 19.262 17.488 15.915 14.529 13.310 12.235 11.283 10.438 9.683 9.007 8.398 7.848 7.348 6.475 6.317 6.165 6.018 5.875 5.737 5.602 5.472 5.345 5.222 5.102 4.985 4.872 4.760 4.652 4.546 4.442 4.340 4.241 4.143 4.047 ringwoodite-Mg Mg2SiO4 P-T:All Wt.(g/mol) = 140.691 V(cc/mol) = 39.490 D(g/cc) = 3.563 Ref: H&P2011 3 2.000 10 1.000 7 -4.000 1 40.992 36.814 33.241 30.184 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.992 36.814 33.241 30.184 27.547 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.993 36.815 33.242 30.185 27.548 25.250 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.994 36.816 33.243 30.186 27.549 25.251 23.227 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.996 36.818 33.246 30.189 27.552 25.254 23.230 21.428 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.000 36.822 33.249 30.192 27.555 25.258 23.234 21.433 19.810 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.004 36.827 33.255 30.198 27.561 25.264 23.241 21.439 19.818 18.339 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.011 36.835 33.262 30.206 27.569 25.272 23.250 21.449 19.829 18.351 16.980 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.021 36.845 33.273 30.216 27.580 25.284 23.262 21.462 19.843 18.368 17.000 15.706 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.033 36.858 33.287 30.230 27.594 25.299 23.278 21.480 19.863 18.390 17.027 15.740 14.507 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.049 36.875 33.304 30.248 27.613 25.318 23.298 21.502 19.888 18.419 17.061 15.783 14.560 13.403 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.067 36.896 33.326 30.271 27.636 25.342 23.324 21.530 19.919 18.454 17.104 15.837 14.629 13.467 12.474 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.081 36.912 33.343 30.288 27.653 25.360 23.344 21.552 19.943 18.481 17.136 15.877 14.681 13.527 12.402 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.100 36.934 33.365 30.311 27.678 25.386 23.371 21.581 19.975 18.519 17.180 15.934 14.754 13.618 12.453 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.117 36.954 33.387 30.333 27.701 25.410 23.397 21.610 20.007 18.555 17.223 15.987 14.825 13.710 12.559 16.519 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.133 36.973 33.407 30.355 27.723 25.434 23.422 21.637 20.037 18.589 17.264 16.039 14.891 13.799 12.681 13.406 14.605 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.147 36.991 33.427 30.375 27.744 25.456 23.446 21.664 20.067 18.622 17.304 16.087 14.954 13.884 12.804 12.675 13.010 13.715 14.779 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.161 37.008 33.445 30.395 27.765 25.478 23.470 21.689 20.095 18.655 17.341 16.133 15.014 13.963 12.923 12.366 12.427 12.661 13.115 13.771 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.173 37.025 33.463 30.413 27.785 25.499 23.492 21.714 20.122 18.685 17.377 16.177 15.069 14.037 13.033 12.207 12.146 12.182 12.343 12.646 13.074 13.554 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.183 37.040 33.480 30.431 27.804 25.519 23.514 21.738 20.149 18.715 17.412 16.219 15.121 14.105 13.134 12.120 11.991 11.926 11.940 12.046 12.250 12.537 12.868 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.193 37.054 33.496 30.448 27.822 25.538 23.535 21.761 20.174 18.744 17.445 16.258 15.170 14.167 13.223 12.072 11.903 11.779 11.709 11.702 11.766 11.900 12.095 12.324 12.558 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.202 37.067 33.511 30.465 27.839 25.557 23.555 21.783 20.199 18.772 17.477 16.295 15.215 14.224 13.302 12.049 11.852 11.691 11.569 11.493 11.469 11.500 11.585 11.714 11.874 12.045 12.209 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.209 37.079 33.525 30.480 27.856 25.575 23.575 21.804 20.223 18.798 17.507 16.331 15.257 14.275 13.371 12.041 11.826 11.639 11.483 11.362 11.281 11.242 11.248 11.295 11.378 11.488 11.612 11.740 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.215 37.090 33.539 30.495 27.872 25.592 23.593 21.825 20.245 18.824 17.536 16.364 15.295 14.321 13.430 12.044 11.815 11.610 11.430 11.279 11.158 11.072 11.021 11.007 11.026 11.075 11.148 11.237 11.336 11.439 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 41.221 37.101 33.551 30.509 27.887 25.609 23.611 21.844 20.268 18.849 17.564 16.396 15.332 14.363 13.481 12.054 11.815 11.597 11.400 11.227 11.079 10.959 10.868 10.807 10.777 10.775 10.798 10.844 10.906 10.981 11.066 99999.999 99999.999 99999.999 99999.999 99999.999 41.225 37.110 33.563 30.523 27.902 25.625 23.629 21.864 20.289 18.873 17.591 16.426 15.365 14.400 13.525 12.069 11.823 11.595 11.385 11.196 11.028 10.883 10.763 10.668 10.599 10.556 10.538 10.543 10.567 10.609 10.665 10.734 10.815 99999.999 99999.999 99999.999 41.228 37.119 33.575 30.535 27.916 25.640 23.645 21.882 20.310 18.896 17.617 16.455 15.397 14.435 13.562 12.088 11.837 11.601 11.382 11.180 10.997 10.834 10.691 10.571 10.473 10.398 10.345 10.315 10.304 10.313 10.338 10.379 10.434 10.503 99999.999 99999.999 41.231 37.127 33.585 30.547 27.929 25.654 23.661 21.900 20.330 18.919 17.642 16.483 15.428 14.467 13.596 12.110 11.854 11.613 11.386 11.175 10.981 10.804 10.644 10.504 10.384 10.283 10.203 10.143 10.103 10.081 10.077 10.089 10.117 10.160 10.218 10.290 41.232 37.135 33.595 30.559 27.942 25.668 23.677 21.917 20.349 18.940 17.666 16.510 15.457 14.498 13.627 12.134 11.874 11.628 11.396 11.178 10.975 10.787 10.615 10.459 10.321 10.201 10.099 10.015 9.949 9.901 9.870 9.856 9.857 9.875 9.907 9.954 41.201 37.169 33.660 30.642 28.039 25.779 23.802 22.058 20.509 19.122 17.871 16.738 15.707 14.767 13.908 12.405 12.135 11.875 11.624 11.382 11.148 10.923 10.706 10.497 10.296 10.103 9.918 9.741 9.572 9.411 9.258 9.112 8.975 8.846 8.725 8.613 41.099 37.145 33.672 30.677 28.091 25.845 23.882 22.154 20.621 19.252 18.021 16.909 15.898 14.978 14.136 12.658 12.391 12.133 11.883 11.641 11.406 11.179 10.958 10.744 10.537 10.335 10.139 9.949 9.764 9.585 9.410 9.241 9.076 8.916 8.761 8.610 40.941 37.075 33.644 30.674 28.106 25.876 23.927 22.213 20.695 19.342 18.129 17.035 16.043 15.141 14.317 12.870 12.609 12.356 12.110 11.873 11.642 11.419 11.202 10.991 10.786 10.586 10.392 10.203 10.019 9.839 9.663 9.492 9.324 9.160 9.000 8.843 40.739 36.967 33.581 30.639 28.091 25.878 23.944 22.243 20.740 19.402 18.204 17.127 16.152 15.266 14.459 13.043 12.788 12.540 12.301 12.069 11.844 11.625 11.413 11.207 11.007 10.812 10.622 10.438 10.257 10.081 9.910 9.742 9.577 9.417 9.259 9.105 40.499 36.827 33.490 30.578 28.053 25.856 23.937 22.251 20.760 19.436 18.253 17.190 16.231 15.361 14.569 13.183 12.933 12.691 12.457 12.231 12.011 11.798 11.591 11.391 11.195 11.006 10.821 10.641 10.466 10.295 10.128 9.965 9.806 9.650 9.497 9.347 40.228 36.662 33.376 30.496 27.993 25.815 23.911 22.238 20.761 19.450 18.280 17.231 16.286 15.430 14.652 13.294 13.049 12.813 12.584 12.363 12.149 11.941 11.739 11.544 11.354 11.169 10.989 10.815 10.644 10.478 10.317 10.159 10.004 9.853 9.705 9.560 39.932 36.474 33.241 30.395 27.916 25.756 23.868 22.210 20.746 19.447 18.290 17.253 16.321 15.478 14.713 13.381 13.141 12.910 12.686 12.470 12.260 12.057 11.861 11.670 11.485 11.305 11.130 10.960 10.794 10.633 10.476 10.323 10.173 10.027 9.883 9.743 99999.999 36.268 33.090 30.277 27.823 25.683 23.811 22.167 20.716 19.429 18.284 17.259 16.338 15.508 14.756 13.447 13.212 12.986 12.767 12.555 12.350 12.151 11.959 11.773 11.592 11.417 11.246 11.080 10.919 10.762 10.610 10.461 10.315 10.173 10.034 9.899 rhodochrosite MnCO3 P-T:All Wt.(g/mol) = 114.950 V(cc/mol) = 31.070 D(g/cc) = 3.700 Ref: H&P2011 3 1.000 14 1.000 5 -1.000 1 0.095 -0.178 -0.457 -0.729 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.095 -0.178 -0.457 -0.729 -0.995 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.096 -0.178 -0.456 -0.728 -0.994 -1.258 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.097 -0.177 -0.455 -0.727 -0.993 -1.257 -1.524 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.099 -0.175 -0.454 -0.726 -0.992 -1.255 -1.522 -1.796 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.103 -0.172 -0.451 -0.723 -0.989 -1.253 -1.519 -1.793 -2.079 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.108 -0.168 -0.447 -0.720 -0.986 -1.249 -1.515 -1.788 -2.073 -2.380 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.115 -0.162 -0.442 -0.714 -0.980 -1.244 -1.509 -1.781 -2.066 -2.370 -2.709 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.125 -0.154 -0.434 -0.707 -0.973 -1.236 -1.501 -1.772 -2.055 -2.358 -2.692 -3.078 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.139 -0.143 -0.425 -0.698 -0.964 -1.226 -1.490 -1.760 -2.041 -2.341 -2.671 -3.049 -3.499 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.156 -0.129 -0.412 -0.686 -0.951 -1.213 -1.476 -1.745 -2.023 -2.319 -2.643 -3.011 -3.446 -3.986 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.178 -0.111 -0.396 -0.670 -0.936 -1.197 -1.459 -1.725 -2.001 -2.292 -2.609 -2.965 -3.380 -3.889 -4.586 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.194 -0.097 -0.383 -0.658 -0.924 -1.185 -1.445 -1.710 -1.984 -2.272 -2.584 -2.931 -3.331 -3.817 -4.490 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.218 -0.078 -0.366 -0.641 -0.907 -1.167 -1.426 -1.689 -1.960 -2.244 -2.548 -2.884 -3.265 -3.720 -4.342 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.241 -0.059 -0.349 -0.625 -0.891 -1.150 -1.408 -1.669 -1.937 -2.216 -2.514 -2.839 -3.203 -3.630 -4.200 -3.932 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.263 -0.040 -0.332 -0.609 -0.874 -1.133 -1.390 -1.649 -1.914 -2.190 -2.482 -2.797 -3.146 -3.546 -4.067 -4.237 -4.235 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.285 -0.022 -0.315 -0.593 -0.859 -1.117 -1.372 -1.629 -1.892 -2.164 -2.450 -2.757 -3.091 -3.469 -3.945 -4.263 -4.346 -4.414 -4.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.306 -0.005 -0.299 -0.577 -0.843 -1.101 -1.355 -1.610 -1.871 -2.139 -2.420 -2.719 -3.041 -3.398 -3.834 -4.232 -4.344 -4.445 -4.547 -4.689 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.327 0.013 -0.283 -0.562 -0.828 -1.085 -1.338 -1.592 -1.850 -2.115 -2.391 -2.683 -2.993 -3.333 -3.734 -4.186 -4.307 -4.424 -4.538 -4.659 -4.809 -5.023 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.347 0.029 -0.268 -0.547 -0.813 -1.070 -1.322 -1.574 -1.829 -2.092 -2.364 -2.648 -2.949 -3.272 -3.644 -4.135 -4.259 -4.381 -4.503 -4.626 -4.758 -4.911 -5.105 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.367 0.046 -0.253 -0.533 -0.798 -1.054 -1.306 -1.556 -1.810 -2.069 -2.337 -2.615 -2.907 -3.217 -3.563 -4.082 -4.206 -4.331 -4.455 -4.581 -4.709 -4.847 -5.000 -5.181 -5.397 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.386 0.062 -0.238 -0.518 -0.784 -1.040 -1.290 -1.539 -1.790 -2.047 -2.311 -2.584 -2.868 -3.167 -3.491 -4.030 -4.153 -4.277 -4.402 -4.528 -4.656 -4.788 -4.928 -5.080 -5.251 -5.443 -5.660 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.405 0.078 -0.223 -0.504 -0.770 -1.025 -1.274 -1.522 -1.771 -2.025 -2.286 -2.554 -2.832 -3.120 -3.428 -3.979 -4.101 -4.224 -4.348 -4.473 -4.600 -4.730 -4.863 -5.003 -5.152 -5.314 -5.489 -5.679 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.423 0.094 -0.209 -0.490 -0.756 -1.011 -1.259 -1.505 -1.753 -2.004 -2.262 -2.526 -2.798 -3.078 -3.371 -3.929 -4.049 -4.170 -4.293 -4.417 -4.543 -4.670 -4.800 -4.934 -5.073 -5.218 -5.372 -5.534 -5.703 -5.879 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.441 0.109 -0.195 -0.477 -0.742 -0.997 -1.244 -1.489 -1.735 -1.984 -2.238 -2.499 -2.765 -3.039 -3.322 -3.881 -3.999 -4.118 -4.239 -4.361 -4.485 -4.611 -4.738 -4.868 -5.001 -5.138 -5.279 -5.425 -5.575 -5.729 -5.885 99999.999 99999.999 99999.999 99999.999 99999.999 0.459 0.124 -0.181 -0.463 -0.729 -0.983 -1.230 -1.473 -1.717 -1.964 -2.215 -2.472 -2.735 -3.003 -3.277 -3.834 -3.950 -4.068 -4.187 -4.307 -4.429 -4.552 -4.677 -4.804 -4.933 -5.065 -5.198 -5.335 -5.474 -5.615 -5.756 -5.897 -6.034 99999.999 99999.999 99999.999 0.476 0.139 -0.167 -0.450 -0.716 -0.969 -1.215 -1.457 -1.700 -1.944 -2.193 -2.447 -2.706 -2.969 -3.238 -3.789 -3.903 -4.019 -4.135 -4.254 -4.373 -4.495 -4.617 -4.742 -4.868 -4.995 -5.124 -5.255 -5.387 -5.519 -5.652 -5.783 -5.911 -6.035 99999.999 99999.999 0.492 0.153 -0.154 -0.437 -0.703 -0.956 -1.201 -1.442 -1.683 -1.925 -2.172 -2.423 -2.678 -2.937 -3.201 -3.745 -3.858 -3.971 -4.086 -4.202 -4.320 -4.439 -4.559 -4.681 -4.805 -4.929 -5.055 -5.181 -5.308 -5.435 -5.562 -5.687 -5.809 -5.927 -6.040 -6.146 0.509 0.167 -0.141 -0.425 -0.690 -0.943 -1.187 -1.427 -1.666 -1.907 -2.151 -2.399 -2.651 -2.907 -3.167 -3.703 -3.813 -3.925 -4.038 -4.152 -4.267 -4.384 -4.503 -4.622 -4.743 -4.865 -4.988 -5.111 -5.235 -5.358 -5.481 -5.602 -5.720 -5.835 -5.945 -6.049 0.654 0.294 -0.022 -0.309 -0.574 -0.823 -1.061 -1.291 -1.517 -1.741 -1.965 -2.190 -2.416 -2.645 -2.874 -3.341 -3.436 -3.531 -3.627 -3.724 -3.822 -3.921 -4.021 -4.121 -4.223 -4.325 -4.428 -4.532 -4.636 -4.741 -4.846 -4.951 -5.055 -5.159 -5.263 -5.365 0.769 0.400 0.079 -0.209 -0.474 -0.720 -0.952 -1.175 -1.391 -1.602 -1.811 -2.019 -2.227 -2.434 -2.642 -3.058 -3.142 -3.227 -3.311 -3.396 -3.482 -3.568 -3.654 -3.741 -3.829 -3.918 -4.007 -4.096 -4.187 -4.277 -4.369 -4.461 -4.553 -4.646 -4.739 -4.832 0.861 0.488 0.165 -0.123 -0.387 -0.630 -0.858 -1.075 -1.283 -1.484 -1.681 -1.876 -2.068 -2.259 -2.449 -2.828 -2.904 -2.980 -3.056 -3.132 -3.208 -3.285 -3.362 -3.439 -3.517 -3.595 -3.674 -3.753 -3.832 -3.912 -3.993 -4.074 -4.156 -4.238 -4.321 -4.404 0.934 0.562 0.239 -0.049 -0.310 -0.551 -0.775 -0.987 -1.188 -1.382 -1.569 -1.753 -1.933 -2.111 -2.287 -2.635 -2.704 -2.773 -2.843 -2.912 -2.981 -3.050 -3.120 -3.190 -3.260 -3.330 -3.401 -3.471 -3.543 -3.614 -3.687 -3.759 -3.832 -3.906 -3.980 -4.054 0.992 0.625 0.303 0.017 -0.242 -0.480 -0.701 -0.908 -1.104 -1.291 -1.471 -1.645 -1.815 -1.982 -2.147 -2.469 -2.533 -2.597 -2.661 -2.724 -2.788 -2.852 -2.915 -2.979 -3.043 -3.107 -3.171 -3.235 -3.300 -3.365 -3.431 -3.496 -3.563 -3.629 -3.696 -3.764 1.038 0.678 0.359 0.075 -0.182 -0.417 -0.635 -0.838 -1.029 -1.211 -1.384 -1.551 -1.712 -1.870 -2.024 -2.326 -2.385 -2.444 -2.504 -2.563 -2.621 -2.680 -2.739 -2.798 -2.857 -2.915 -2.974 -3.034 -3.093 -3.153 -3.213 -3.273 -3.334 -3.394 -3.456 -3.518 1.073 0.723 0.408 0.127 -0.128 -0.360 -0.575 -0.775 -0.962 -1.138 -1.306 -1.466 -1.620 -1.770 -1.916 -2.199 -2.255 -2.311 -2.366 -2.421 -2.476 -2.530 -2.585 -2.640 -2.694 -2.749 -2.804 -2.859 -2.914 -2.969 -3.024 -3.080 -3.136 -3.193 -3.249 -3.306 99999.999 0.762 0.451 0.172 -0.079 -0.309 -0.520 -0.717 -0.900 -1.072 -1.235 -1.390 -1.538 -1.681 -1.820 -2.087 -2.140 -2.192 -2.244 -2.295 -2.347 -2.398 -2.449 -2.501 -2.552 -2.603 -2.654 -2.705 -2.757 -2.808 -2.860 -2.912 -2.964 -3.017 -3.070 -3.123 rhodonite MnSiO3 P-T:All Wt.(g/mol) = 131.020 V(cc/mol) = 34.940 D(g/cc) = 3.750 Ref: H&P2011 4 1.000 7 -1.000 2 1.000 14 -2.000 1 11.131 10.016 9.028 8.171 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.131 10.016 9.028 8.171 7.428 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.131 10.016 9.028 8.172 7.429 6.779 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.132 10.017 9.029 8.173 7.429 6.780 6.206 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.133 10.018 9.030 8.174 7.431 6.781 6.207 5.693 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.135 10.020 9.033 8.176 7.433 6.784 6.210 5.696 5.229 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.137 10.024 9.036 8.180 7.437 6.788 6.214 5.700 5.233 4.801 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.141 10.028 9.041 8.185 7.442 6.793 6.219 5.706 5.240 4.809 4.400 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.145 10.034 9.047 8.191 7.449 6.800 6.227 5.714 5.249 4.819 4.412 4.014 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.151 10.042 9.055 8.200 7.458 6.810 6.237 5.725 5.261 4.832 4.428 4.033 3.640 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.158 10.051 9.066 8.211 7.469 6.822 6.250 5.739 5.276 4.849 4.448 4.058 3.670 3.284 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.167 10.063 9.079 8.225 7.484 6.837 6.266 5.756 5.295 4.871 4.472 4.089 3.709 3.326 2.970 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.173 10.072 9.089 8.235 7.494 6.848 6.278 5.769 5.309 4.887 4.491 4.112 3.739 3.361 2.961 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.181 10.083 9.102 8.249 7.509 6.864 6.294 5.787 5.329 4.909 4.517 4.144 3.780 3.413 3.006 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.188 10.094 9.114 8.262 7.523 6.878 6.310 5.804 5.347 4.930 4.542 4.175 3.819 3.464 3.069 4.704 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.194 10.104 9.126 8.275 7.537 6.893 6.326 5.821 5.366 4.950 4.566 4.203 3.856 3.513 3.137 3.549 4.012 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.199 10.113 9.137 8.287 7.550 6.906 6.340 5.837 5.383 4.970 4.589 4.231 3.891 3.559 3.203 3.288 3.429 3.705 4.098 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.203 10.122 9.147 8.299 7.562 6.920 6.354 5.852 5.400 4.989 4.610 4.257 3.924 3.602 3.266 3.187 3.226 3.328 3.508 3.753 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.206 10.130 9.157 8.309 7.574 6.932 6.368 5.867 5.416 5.007 4.631 4.282 3.955 3.642 3.324 3.142 3.136 3.164 3.237 3.359 3.521 3.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.208 10.136 9.166 8.319 7.585 6.944 6.381 5.881 5.432 5.025 4.651 4.306 3.983 3.679 3.378 3.123 3.092 3.084 3.103 3.155 3.239 3.349 3.468 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.210 10.143 9.174 8.329 7.595 6.955 6.393 5.894 5.447 5.041 4.670 4.328 4.011 3.714 3.425 3.118 3.073 3.044 3.032 3.043 3.078 3.136 3.212 3.296 3.375 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.210 10.148 9.182 8.338 7.605 6.966 6.405 5.907 5.461 5.057 4.689 4.349 4.036 3.745 3.468 3.122 3.068 3.025 2.995 2.981 2.985 3.006 3.046 3.098 3.158 3.218 3.270 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.210 10.153 9.189 8.346 7.614 6.976 6.416 5.920 5.475 5.073 4.706 4.369 4.059 3.773 3.506 3.131 3.070 3.018 2.977 2.947 2.930 2.928 2.940 2.965 3.001 3.044 3.089 3.132 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.209 10.157 9.195 8.354 7.623 6.986 6.427 5.932 5.488 5.088 4.723 4.389 4.082 3.799 3.539 3.144 3.078 3.020 2.971 2.930 2.900 2.880 2.873 2.877 2.892 2.916 2.946 2.980 3.016 3.051 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.208 10.161 9.201 8.361 7.632 6.996 6.437 5.943 5.501 5.102 4.739 4.407 4.102 3.823 3.567 3.158 3.090 3.028 2.972 2.924 2.884 2.853 2.832 2.820 2.818 2.825 2.840 2.861 2.887 2.916 2.948 99999.999 99999.999 99999.999 99999.999 99999.999 11.205 10.164 9.207 8.368 7.639 7.004 6.447 5.954 5.513 5.116 4.754 4.424 4.122 3.845 3.593 3.174 3.104 3.038 2.979 2.925 2.879 2.839 2.808 2.785 2.770 2.763 2.764 2.773 2.787 2.806 2.830 2.858 2.890 99999.999 99999.999 99999.999 11.202 10.166 9.212 8.374 7.647 7.013 6.457 5.965 5.525 5.129 4.769 4.441 4.140 3.865 3.615 3.191 3.119 3.051 2.989 2.931 2.880 2.834 2.795 2.764 2.739 2.721 2.711 2.708 2.711 2.720 2.735 2.754 2.779 2.808 99999.999 99999.999 11.198 10.168 9.216 8.380 7.654 7.021 6.466 5.975 5.536 5.142 4.783 4.456 4.158 3.884 3.635 3.209 3.136 3.066 3.001 2.941 2.886 2.836 2.791 2.753 2.721 2.695 2.675 2.663 2.656 2.655 2.660 2.671 2.687 2.708 2.735 2.767 11.194 10.169 9.220 8.386 7.660 7.028 6.474 5.984 5.547 5.154 4.797 4.472 4.174 3.902 3.654 3.227 3.153 3.082 3.016 2.953 2.895 2.842 2.793 2.750 2.712 2.679 2.652 2.632 2.617 2.607 2.604 2.606 2.613 2.626 2.644 2.668 11.115 10.153 9.232 8.416 7.703 7.082 6.538 6.059 5.634 5.253 4.910 4.599 4.315 4.056 3.819 3.403 3.328 3.256 3.186 3.118 3.053 2.989 2.928 2.870 2.813 2.759 2.706 2.656 2.608 2.563 2.519 2.478 2.440 2.404 2.371 2.340 10.984 10.093 9.206 8.410 7.712 7.103 6.570 6.101 5.687 5.318 4.987 4.688 4.417 4.170 3.944 3.549 3.477 3.408 3.341 3.276 3.213 3.152 3.092 3.035 2.978 2.924 2.870 2.818 2.768 2.718 2.670 2.624 2.578 2.534 2.490 2.448 10.813 9.998 9.149 8.376 7.694 7.098 6.576 6.118 5.714 5.356 5.036 4.748 4.488 4.253 4.038 3.664 3.596 3.531 3.468 3.406 3.347 3.289 3.233 3.179 3.125 3.074 3.023 2.974 2.926 2.879 2.832 2.787 2.743 2.699 2.657 2.614 10.608 9.875 9.066 8.317 7.654 7.071 6.562 6.115 5.721 5.372 5.063 4.785 4.536 4.311 4.107 3.752 3.688 3.627 3.567 3.510 3.454 3.400 3.348 3.297 3.247 3.199 3.152 3.106 3.061 3.017 2.974 2.932 2.891 2.851 2.811 2.771 10.376 9.728 8.961 8.240 7.595 7.027 6.530 6.094 5.710 5.372 5.071 4.804 4.565 4.349 4.155 3.818 3.758 3.700 3.645 3.591 3.538 3.488 3.439 3.391 3.345 3.300 3.257 3.214 3.173 3.133 3.093 3.054 3.016 2.979 2.943 2.907 10.121 9.561 8.839 8.145 7.520 6.968 6.484 6.059 5.685 5.356 5.066 4.807 4.577 4.371 4.185 3.866 3.810 3.755 3.703 3.652 3.603 3.556 3.510 3.466 3.423 3.381 3.341 3.302 3.264 3.226 3.190 3.155 3.120 3.086 3.052 3.020 9.846 9.378 8.701 8.036 7.432 6.896 6.425 6.011 5.648 5.329 5.047 4.798 4.576 4.378 4.201 3.899 3.845 3.794 3.745 3.697 3.651 3.607 3.564 3.523 3.483 3.445 3.407 3.371 3.336 3.302 3.268 3.236 3.204 3.173 3.142 3.113 99999.999 9.179 8.550 7.915 7.332 6.813 6.355 5.953 5.601 5.291 5.018 4.777 4.563 4.374 4.205 3.918 3.868 3.819 3.773 3.728 3.685 3.644 3.604 3.566 3.529 3.493 3.458 3.425 3.392 3.361 3.330 3.300 3.271 3.243 3.215 3.188 rutile TiO2 P-T:All Wt.(g/mol) = 79.875 V(cc/mol) = 18.820 D(g/cc) = 4.244 Ref: H&P2011 2 1.000 34 -2.000 2 -8.942 -8.928 -8.919 -8.910 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.942 -8.928 -8.919 -8.910 -8.902 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 -8.922 -8.914 -8.906 -8.899 -8.892 -8.886 -8.880 -8.876 -8.874 -8.873 -8.875 -8.881 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.912 -8.907 -8.901 -8.894 -8.887 -8.881 -8.876 -8.872 -8.869 -8.869 -8.870 -8.875 -8.885 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.901 -8.898 -8.893 -8.887 -8.881 -8.875 -8.870 -8.866 -8.863 -8.862 -8.864 -8.868 -8.877 -8.892 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.885 -8.887 -8.884 -8.879 -8.873 -8.867 -8.862 -8.858 -8.855 -8.854 -8.855 -8.859 -8.867 -8.880 -8.904 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.873 -8.878 -8.876 -8.872 -8.867 -8.861 -8.856 -8.852 -8.849 -8.848 -8.849 -8.852 -8.859 -8.871 -8.891 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.856 -8.865 -8.865 -8.862 -8.858 -8.853 -8.848 -8.844 -8.841 -8.839 -8.840 -8.842 -8.848 -8.858 -8.875 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.839 -8.852 -8.854 -8.852 -8.848 -8.844 -8.839 -8.835 -8.832 -8.830 -8.830 -8.832 -8.837 -8.846 -8.861 -8.951 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.822 -8.839 -8.843 -8.842 -8.839 -8.835 -8.830 -8.826 -8.823 -8.821 -8.821 -8.823 -8.827 -8.835 -8.847 -8.904 -8.930 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.804 -8.826 -8.832 -8.832 -8.830 -8.826 -8.822 -8.818 -8.814 -8.812 -8.812 -8.813 -8.816 -8.823 -8.834 -8.879 -8.895 -8.917 -8.946 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.787 -8.812 -8.821 -8.822 -8.820 -8.817 -8.813 -8.809 -8.806 -8.803 -8.802 -8.803 -8.806 -8.812 -8.822 -8.859 -8.872 -8.887 -8.906 -8.929 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.770 -8.799 -8.809 -8.812 -8.811 -8.808 -8.804 -8.800 -8.797 -8.794 -8.793 -8.793 -8.796 -8.801 -8.810 -8.842 -8.852 -8.864 -8.878 -8.896 -8.916 -8.939 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.753 -8.786 -8.798 -8.802 -8.801 -8.798 -8.795 -8.791 -8.788 -8.785 -8.784 -8.784 -8.786 -8.790 -8.798 -8.826 -8.834 -8.844 -8.856 -8.870 -8.885 -8.903 -8.924 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.736 -8.773 -8.787 -8.791 -8.791 -8.789 -8.786 -8.782 -8.779 -8.776 -8.775 -8.774 -8.776 -8.780 -8.786 -8.811 -8.818 -8.827 -8.836 -8.848 -8.861 -8.875 -8.892 -8.910 -8.929 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.719 -8.759 -8.775 -8.781 -8.782 -8.780 -8.777 -8.773 -8.770 -8.767 -8.765 -8.765 -8.766 -8.769 -8.775 -8.796 -8.803 -8.810 -8.819 -8.828 -8.839 -8.851 -8.865 -8.880 -8.896 -8.914 -8.932 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.702 -8.746 -8.764 -8.770 -8.772 -8.770 -8.768 -8.764 -8.761 -8.758 -8.756 -8.755 -8.756 -8.759 -8.763 -8.783 -8.788 -8.795 -8.802 -8.811 -8.820 -8.830 -8.842 -8.855 -8.868 -8.883 -8.899 -8.916 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.685 -8.733 -8.752 -8.760 -8.762 -8.761 -8.758 -8.755 -8.752 -8.749 -8.747 -8.746 -8.746 -8.748 -8.752 -8.769 -8.775 -8.780 -8.787 -8.794 -8.802 -8.811 -8.821 -8.832 -8.844 -8.857 -8.871 -8.885 -8.900 -8.916 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -8.667 -8.719 -8.740 -8.749 -8.752 -8.752 -8.749 -8.746 -8.743 -8.740 -8.738 -8.736 -8.736 -8.738 -8.742 -8.757 -8.761 -8.766 -8.772 -8.778 -8.786 -8.793 -8.802 -8.812 -8.822 -8.833 -8.845 -8.858 -8.871 -8.885 -8.900 99999.999 99999.999 99999.999 99999.999 99999.999 -8.650 -8.706 -8.729 -8.739 -8.742 -8.742 -8.740 -8.737 -8.734 -8.731 -8.728 -8.727 -8.726 -8.728 -8.731 -8.744 -8.748 -8.753 -8.758 -8.763 -8.770 -8.777 -8.785 -8.793 -8.802 -8.812 -8.823 -8.834 -8.846 -8.858 -8.871 -8.884 -8.897 99999.999 99999.999 99999.999 -8.633 -8.692 -8.717 -8.728 -8.732 -8.732 -8.731 -8.728 -8.725 -8.722 -8.719 -8.717 -8.717 -8.717 -8.720 -8.732 -8.735 -8.739 -8.744 -8.749 -8.755 -8.761 -8.768 -8.775 -8.783 -8.792 -8.802 -8.812 -8.822 -8.833 -8.844 -8.856 -8.868 -8.880 99999.999 99999.999 -8.616 -8.679 -8.705 -8.717 -8.722 -8.723 -8.721 -8.719 -8.716 -8.712 -8.710 -8.708 -8.707 -8.707 -8.710 -8.720 -8.723 -8.727 -8.731 -8.735 -8.740 -8.746 -8.752 -8.759 -8.766 -8.774 -8.782 -8.791 -8.800 -8.810 -8.820 -8.831 -8.842 -8.853 -8.864 -8.876 -8.599 -8.665 -8.693 -8.707 -8.712 -8.713 -8.712 -8.709 -8.706 -8.703 -8.701 -8.698 -8.697 -8.697 -8.699 -8.708 -8.711 -8.714 -8.718 -8.722 -8.726 -8.731 -8.737 -8.743 -8.749 -8.756 -8.764 -8.772 -8.780 -8.789 -8.798 -8.808 -8.818 -8.828 -8.838 -8.848 -8.430 -8.528 -8.573 -8.597 -8.609 -8.615 -8.617 -8.616 -8.614 -8.611 -8.608 -8.605 -8.602 -8.600 -8.598 -8.598 -8.599 -8.600 -8.601 -8.602 -8.603 -8.605 -8.607 -8.609 -8.611 -8.613 -8.616 -8.619 -8.622 -8.625 -8.629 -8.632 -8.636 -8.640 -8.645 -8.649 -8.262 -8.390 -8.451 -8.484 -8.503 -8.514 -8.519 -8.521 -8.520 -8.518 -8.516 -8.512 -8.509 -8.506 -8.502 -8.498 -8.497 -8.497 -8.496 -8.496 -8.496 -8.496 -8.496 -8.496 -8.496 -8.497 -8.497 -8.498 -8.499 -8.500 -8.501 -8.502 -8.504 -8.505 -8.507 -8.508 -8.096 -8.251 -8.327 -8.370 -8.395 -8.411 -8.420 -8.424 -8.426 -8.425 -8.423 -8.421 -8.417 -8.413 -8.410 -8.402 -8.401 -8.400 -8.399 -8.398 -8.397 -8.396 -8.395 -8.394 -8.393 -8.393 -8.392 -8.392 -8.391 -8.391 -8.391 -8.390 -8.390 -8.390 -8.390 -8.391 -7.932 -8.112 -8.202 -8.254 -8.286 -8.307 -8.319 -8.327 -8.331 -8.332 -8.331 -8.329 -8.326 -8.323 -8.319 -8.311 -8.309 -8.307 -8.306 -8.304 -8.303 -8.301 -8.300 -8.298 -8.297 -8.296 -8.295 -8.293 -8.292 -8.291 -8.290 -8.289 -8.288 -8.287 -8.286 -8.286 -7.770 -7.974 -8.077 -8.138 -8.177 -8.202 -8.219 -8.229 -8.236 -8.239 -8.240 -8.239 -8.237 -8.234 -8.230 -8.222 -8.220 -8.218 -8.216 -8.215 -8.213 -8.211 -8.209 -8.207 -8.206 -8.204 -8.202 -8.201 -8.199 -8.198 -8.196 -8.194 -8.193 -8.192 -8.190 -8.189 -7.608 -7.835 -7.951 -8.021 -8.067 -8.097 -8.118 -8.132 -8.141 -8.146 -8.149 -8.150 -8.148 -8.146 -8.143 -8.135 -8.133 -8.131 -8.130 -8.128 -8.126 -8.124 -8.122 -8.120 -8.118 -8.116 -8.114 -8.112 -8.111 -8.109 -8.107 -8.105 -8.103 -8.101 -8.100 -8.098 -7.449 -7.698 -7.826 -7.904 -7.956 -7.992 -8.017 -8.034 -8.046 -8.054 -8.059 -8.061 -8.061 -8.060 -8.057 -8.050 -8.049 -8.047 -8.045 -8.043 -8.041 -8.039 -8.037 -8.035 -8.034 -8.032 -8.029 -8.027 -8.025 -8.023 -8.021 -8.019 -8.017 -8.015 -8.013 -8.011 99999.999 -7.560 -7.701 -7.788 -7.846 -7.887 -7.916 -7.937 -7.952 -7.962 -7.969 -7.973 -7.974 -7.974 -7.973 -7.967 -7.966 -7.964 -7.962 -7.961 -7.959 -7.957 -7.955 -7.953 -7.951 -7.949 -7.947 -7.945 -7.943 -7.941 -7.939 -7.937 -7.935 -7.933 -7.931 -7.929 sanidine KAlSi3O8 P-T:All Wt.(g/mol) = 278.330 V(cc/mol) = 108.710 D(g/cc) = 2.560 Ref: H&P2011 5 1.000 12 1.000 8 3.000 7 -4.000 2 -4.000 1 1.326 0.671 -0.050 -0.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.326 0.671 -0.050 -0.724 -1.331 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.328 0.672 -0.048 -0.722 -1.330 -1.876 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.330 0.675 -0.046 -0.719 -1.327 -1.873 -2.370 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.333 0.679 -0.041 -0.715 -1.322 -1.868 -2.365 -2.824 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.339 0.686 -0.034 -0.707 -1.315 -1.860 -2.357 -2.816 -3.250 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.347 0.696 -0.023 -0.696 -1.303 -1.849 -2.345 -2.803 -3.237 -3.660 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.359 0.711 -0.007 -0.680 -1.287 -1.832 -2.328 -2.785 -3.218 -3.639 -4.067 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.375 0.731 0.014 -0.658 -1.265 -1.810 -2.304 -2.761 -3.192 -3.610 -4.034 -4.484 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.395 0.756 0.041 -0.630 -1.236 -1.780 -2.273 -2.728 -3.157 -3.573 -3.992 -4.434 -4.909 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.421 0.789 0.077 -0.594 -1.199 -1.742 -2.234 -2.687 -3.113 -3.525 -3.937 -4.369 -4.833 -5.312 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.452 0.830 0.121 -0.548 -1.152 -1.694 -2.184 -2.635 -3.057 -3.464 -3.869 -4.288 -4.736 -5.216 -5.603 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.474 0.860 0.153 -0.514 -1.117 -1.658 -2.147 -2.595 -3.015 -3.418 -3.818 -4.228 -4.662 -5.133 -5.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.504 0.901 0.199 -0.467 -1.068 -1.607 -2.094 -2.540 -2.957 -3.355 -3.746 -4.143 -4.559 -5.010 -5.562 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.531 0.940 0.242 -0.421 -1.021 -1.559 -2.044 -2.487 -2.900 -3.293 -3.677 -4.062 -4.460 -4.887 -5.421 -0.224 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.555 0.976 0.283 -0.378 -0.976 -1.512 -1.995 -2.436 -2.846 -3.234 -3.610 -3.985 -4.366 -4.768 -5.266 -3.440 -2.000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.577 1.010 0.322 -0.336 -0.933 -1.467 -1.948 -2.386 -2.793 -3.177 -3.547 -3.910 -4.276 -4.654 -5.111 -4.150 -3.613 -2.694 -1.385 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.596 1.043 0.359 -0.297 -0.892 -1.424 -1.903 -2.339 -2.742 -3.121 -3.485 -3.839 -4.190 -4.547 -4.962 -4.429 -4.172 -3.744 -3.092 -2.225 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.612 1.073 0.395 -0.259 -0.852 -1.382 -1.859 -2.292 -2.692 -3.068 -3.426 -3.772 -4.110 -4.446 -4.822 -4.557 -4.423 -4.198 -3.851 -3.360 -2.739 -2.058 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.627 1.101 0.428 -0.222 -0.813 -1.342 -1.817 -2.248 -2.645 -3.016 -3.369 -3.707 -4.033 -4.353 -4.694 -4.613 -4.547 -4.423 -4.227 -3.941 -3.559 -3.091 -2.577 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.639 1.127 0.460 -0.188 -0.777 -1.304 -1.776 -2.205 -2.599 -2.966 -3.314 -3.645 -3.961 -4.265 -4.577 -4.631 -4.605 -4.541 -4.428 -4.258 -4.021 -3.715 -3.350 -2.948 -2.540 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.648 1.151 0.490 -0.155 -0.741 -1.267 -1.737 -2.163 -2.554 -2.918 -3.261 -3.586 -3.893 -4.185 -4.473 -4.626 -4.626 -4.599 -4.538 -4.437 -4.289 -4.091 -3.841 -3.548 -3.226 -2.891 -2.562 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.656 1.173 0.518 -0.123 -0.708 -1.231 -1.699 -2.123 -2.511 -2.872 -3.210 -3.529 -3.829 -4.111 -4.379 -4.606 -4.624 -4.621 -4.594 -4.538 -4.448 -4.320 -4.153 -3.946 -3.706 -3.441 -3.162 -2.878 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.661 1.193 0.545 -0.093 -0.675 -1.196 -1.663 -2.084 -2.469 -2.827 -3.161 -3.475 -3.769 -4.042 -4.296 -4.576 -4.607 -4.622 -4.618 -4.592 -4.541 -4.461 -4.351 -4.208 -4.035 -3.834 -3.612 -3.375 -3.128 -2.877 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.665 1.212 0.570 -0.064 -0.644 -1.163 -1.628 -2.047 -2.429 -2.783 -3.114 -3.423 -3.712 -3.978 -4.222 -4.540 -4.580 -4.607 -4.620 -4.615 -4.591 -4.545 -4.475 -4.379 -4.257 -4.110 -3.940 -3.750 -3.546 -3.329 -3.103 99999.999 99999.999 99999.999 99999.999 99999.999 1.666 1.229 0.593 -0.037 -0.615 -1.132 -1.594 -2.010 -2.390 -2.741 -3.068 -3.374 -3.658 -3.919 -4.156 -4.499 -4.546 -4.583 -4.607 -4.618 -4.614 -4.592 -4.551 -4.489 -4.406 -4.301 -4.174 -4.028 -3.864 -3.685 -3.493 -3.289 -3.073 99999.999 99999.999 99999.999 1.666 1.245 0.616 -0.011 -0.586 -1.101 -1.561 -1.975 -2.352 -2.700 -3.024 -3.326 -3.607 -3.864 -4.097 -4.456 -4.508 -4.551 -4.585 -4.607 -4.617 -4.613 -4.594 -4.557 -4.503 -4.431 -4.339 -4.230 -4.102 -3.959 -3.801 -3.629 -3.444 -3.246 99999.999 99999.999 1.663 1.258 0.636 0.013 -0.559 -1.072 -1.530 -1.942 -2.316 -2.661 -2.981 -3.280 -3.557 -3.812 -4.042 -4.411 -4.466 -4.515 -4.555 -4.586 -4.607 -4.616 -4.613 -4.596 -4.564 -4.517 -4.453 -4.373 -4.277 -4.166 -4.039 -3.898 -3.743 -3.574 -3.392 -3.196 1.659 1.271 0.655 0.036 -0.533 -1.044 -1.500 -1.909 -2.281 -2.623 -2.940 -3.235 -3.510 -3.762 -3.991 -4.364 -4.423 -4.475 -4.520 -4.558 -4.587 -4.606 -4.615 -4.613 -4.599 -4.571 -4.529 -4.474 -4.403 -4.319 -4.220 -4.107 -3.980 -3.840 -3.686 -3.519 1.525 1.315 0.778 0.203 -0.336 -0.822 -1.255 -1.641 -1.988 -2.302 -2.590 -2.855 -3.101 -3.327 -3.535 -3.898 -3.963 -4.025 -4.084 -4.141 -4.195 -4.246 -4.295 -4.341 -4.384 -4.424 -4.461 -4.494 -4.524 -4.550 -4.571 -4.589 -4.602 -4.610 -4.613 -4.612 1.251 1.239 0.793 0.270 -0.233 -0.691 -1.099 -1.462 -1.784 -2.073 -2.334 -2.573 -2.791 -2.991 -3.174 -3.497 -3.556 -3.612 -3.667 -3.720 -3.771 -3.821 -3.870 -3.917 -3.963 -4.008 -4.051 -4.094 -4.135 -4.175 -4.214 -4.252 -4.289 -4.324 -4.359 -4.392 0.865 1.067 0.721 0.258 -0.205 -0.632 -1.014 -1.352 -1.650 -1.916 -2.152 -2.365 -2.558 -2.734 -2.893 -3.172 -3.222 -3.271 -3.318 -3.363 -3.408 -3.451 -3.493 -3.534 -3.575 -3.614 -3.653 -3.691 -3.729 -3.766 -3.803 -3.840 -3.876 -3.913 -3.949 -3.985 0.387 0.816 0.578 0.179 -0.239 -0.632 -0.985 -1.298 -1.574 -1.816 -2.029 -2.219 -2.388 -2.540 -2.677 -2.913 -2.954 -2.995 -3.034 -3.071 -3.108 -3.143 -3.178 -3.212 -3.245 -3.277 -3.309 -3.340 -3.371 -3.402 -3.433 -3.463 -3.494 -3.524 -3.555 -3.586 -0.166 0.498 0.374 0.045 -0.325 -0.681 -1.005 -1.292 -1.544 -1.763 -1.955 -2.122 -2.269 -2.399 -2.515 -2.709 -2.742 -2.775 -2.806 -2.836 -2.865 -2.892 -2.919 -2.946 -2.971 -2.996 -3.020 -3.045 -3.068 -3.092 -3.115 -3.139 -3.162 -3.186 -3.210 -3.234 -0.783 0.126 0.121 -0.136 -0.456 -0.773 -1.066 -1.326 -1.553 -1.750 -1.920 -2.066 -2.193 -2.302 -2.397 -2.551 -2.578 -2.602 -2.626 -2.649 -2.670 -2.691 -2.710 -2.729 -2.748 -2.765 -2.783 -2.800 -2.817 -2.833 -2.850 -2.866 -2.883 -2.899 -2.916 -2.934 -1.454 -0.295 -0.177 -0.358 -0.624 -0.902 -1.161 -1.394 -1.597 -1.771 -1.920 -2.046 -2.152 -2.241 -2.317 -2.434 -2.453 -2.471 -2.487 -2.503 -2.517 -2.531 -2.544 -2.556 -2.568 -2.579 -2.589 -2.600 -2.610 -2.620 -2.630 -2.640 -2.650 -2.660 -2.670 -2.681 99999.999 -0.757 -0.512 -0.615 -0.826 -1.062 -1.288 -1.492 -1.670 -1.822 -1.949 -2.055 -2.142 -2.213 -2.270 -2.351 -2.363 -2.374 -2.384 -2.393 -2.401 -2.408 -2.414 -2.420 -2.425 -2.430 -2.434 -2.439 -2.443 -2.446 -2.450 -2.454 -2.458 -2.462 -2.467 -2.471 sapphirine-Fe(221) Fe4Al8Si2O20 Skip P-T:All Wt.(g/mol) = 815.382 V(cc/mol) = 199.230 D(g/cc) = 4.093 Ref: H&P2011 5 4.000 11 8.000 8 2.000 7 12.000 2 -32.000 1 129.083 108.430 90.682 75.357 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.083 108.430 90.682 75.357 61.980 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.091 108.438 90.689 75.365 61.987 50.158 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.105 108.452 90.703 75.378 62.001 50.172 39.571 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.129 108.476 90.727 75.402 62.024 50.196 39.596 29.968 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.166 108.514 90.764 75.439 62.061 50.234 39.636 30.010 21.152 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.223 108.571 90.820 75.494 62.117 50.291 39.694 30.073 21.220 12.944 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.303 108.652 90.900 75.573 62.196 50.371 39.778 30.162 21.317 13.053 5.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.413 108.763 91.010 75.682 62.304 50.481 39.893 30.284 21.450 13.202 5.340 -2.319 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.558 108.910 91.155 75.825 62.448 50.628 40.045 30.446 21.626 13.398 5.571 -2.037 -9.490 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.744 109.100 91.343 76.011 62.633 50.817 40.242 30.654 21.852 13.651 5.868 -1.673 -9.065 -15.985 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 129.979 109.340 91.580 76.246 62.869 51.057 40.491 30.919 22.138 13.970 6.242 -1.212 -8.504 -15.567 -20.685 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.158 109.523 91.762 76.426 63.049 51.240 40.681 31.120 22.355 14.212 6.524 -0.863 -8.068 -15.121 -21.799 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.407 109.780 92.018 76.679 63.302 51.497 40.949 31.403 22.660 14.551 6.920 -0.376 -7.450 -14.401 -21.688 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.649 110.031 92.267 76.927 63.550 51.750 41.210 31.679 22.958 14.880 7.302 0.093 -6.851 -13.650 -20.934 30.440 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.883 110.276 92.511 77.170 63.793 51.996 41.465 31.949 23.247 15.200 7.671 0.543 -6.276 -12.903 -19.967 -4.386 10.552 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.110 110.514 92.750 77.407 64.031 52.237 41.715 32.212 23.530 15.511 8.027 0.974 -5.728 -12.183 -18.946 -12.650 -7.385 2.048 15.885 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.331 110.747 92.983 77.639 64.263 52.474 41.959 32.469 23.806 15.814 8.372 1.386 -5.210 -11.502 -17.947 -16.274 -14.045 -9.923 -3.310 5.765 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.544 110.974 93.211 77.866 64.491 52.705 42.198 32.720 24.075 16.108 8.704 1.780 -4.721 -10.866 -17.009 -18.237 -17.380 -15.474 -12.195 -7.296 -0.878 6.370 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.752 111.196 93.435 78.089 64.714 52.931 42.432 32.966 24.337 16.395 9.026 2.156 -4.263 -10.277 -16.151 -19.399 -19.297 -18.530 -16.920 -14.288 -10.538 -5.777 -0.388 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.953 111.412 93.653 78.307 64.932 53.153 42.661 33.206 24.594 16.674 9.337 2.515 -3.833 -9.738 -15.381 -20.113 -20.478 -20.381 -19.717 -18.370 -16.247 -13.318 -9.672 -5.540 -1.249 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 132.147 111.624 93.867 78.520 65.147 53.371 42.885 33.442 24.845 16.945 9.638 2.857 -3.432 -9.247 -14.703 -20.548 -21.225 -21.560 -21.485 -20.928 -19.816 -18.100 -15.779 -12.924 -9.680 -6.242 -2.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 132.336 111.830 94.076 78.729 65.357 53.584 43.104 33.672 25.090 17.210 9.929 3.184 -3.057 -8.802 -14.115 -20.800 -21.696 -22.326 -22.647 -22.607 -22.155 -21.249 -19.862 -18.006 -15.734 -13.139 -10.343 -7.460 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 132.520 112.031 94.281 78.935 65.563 53.793 43.320 33.897 25.330 17.469 10.212 3.496 -2.706 -8.399 -13.609 -20.925 -21.981 -22.824 -23.422 -23.739 -23.740 -23.390 -22.662 -21.545 -20.052 -18.221 -16.116 -13.810 -11.377 -8.873 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 132.697 112.228 94.482 79.136 65.765 53.998 43.531 34.118 25.565 17.721 10.486 3.795 -2.377 -8.034 -13.178 -20.960 -22.137 -23.137 -23.937 -24.512 -24.836 -24.881 -24.625 -24.052 -23.157 -21.951 -20.464 -18.735 -16.813 -14.743 -12.561 99999.999 99999.999 99999.999 99999.999 99999.999 132.870 112.420 94.678 79.333 65.963 54.199 43.738 34.335 25.794 17.968 10.752 4.083 -2.067 -7.701 -12.810 -20.929 -22.199 -23.318 -24.270 -25.037 -25.598 -25.934 -26.025 -25.855 -25.415 -24.703 -23.730 -22.514 -21.082 -19.466 -17.693 -15.787 -13.761 99999.999 99999.999 99999.999 133.037 112.608 94.871 79.527 66.158 54.396 43.941 34.547 26.019 18.209 11.011 4.361 -1.773 -7.394 -12.493 -20.848 -22.191 -23.403 -24.472 -25.385 -26.126 -26.680 -27.031 -27.167 -27.075 -26.749 -26.191 -25.406 -24.409 -23.217 -21.849 -20.324 -18.655 -16.852 99999.999 99999.999 133.198 112.792 95.059 79.717 66.349 54.590 44.140 34.755 26.240 18.445 11.263 4.630 -1.491 -7.107 -12.210 -20.730 -22.131 -23.416 -24.577 -25.603 -26.483 -27.204 -27.756 -28.126 -28.303 -28.281 -28.054 -27.624 -26.996 -26.178 -25.182 -24.021 -22.704 -21.243 -19.641 -17.900 133.355 112.971 95.244 79.903 66.536 54.780 44.336 34.959 26.456 18.675 11.510 4.892 -1.218 -6.831 -11.945 -20.582 -22.031 -23.375 -24.608 -25.724 -26.713 -27.566 -28.273 -28.826 -29.214 -29.431 -29.470 -29.330 -29.009 -28.512 -27.843 -27.012 -26.024 -24.888 -23.609 -22.190 134.677 114.560 96.908 81.591 68.241 56.511 46.113 36.809 28.407 20.753 13.730 7.253 1.264 -4.275 -9.392 -18.447 -20.079 -21.653 -23.171 -24.633 -26.039 -27.389 -28.684 -29.923 -31.104 -32.229 -33.294 -34.301 -35.246 -36.130 -36.950 -37.706 -38.397 -39.021 -39.578 -40.068 135.619 115.833 98.289 83.014 69.688 57.984 47.623 38.374 30.049 22.493 15.585 9.231 3.362 -2.071 -7.109 -16.123 -17.772 -19.375 -20.932 -22.445 -23.917 -25.348 -26.740 -28.094 -29.412 -30.695 -31.943 -33.158 -34.340 -35.490 -36.609 -37.698 -38.756 -39.786 -40.787 -41.759 136.262 116.857 99.446 84.228 70.933 59.256 48.927 39.723 31.458 23.980 17.165 10.915 5.155 -0.174 -5.117 -13.988 -15.618 -17.204 -18.749 -20.254 -21.722 -23.154 -24.551 -25.916 -27.250 -28.555 -29.831 -31.082 -32.307 -33.509 -34.689 -35.847 -36.985 -38.105 -39.207 -40.292 136.667 117.680 100.421 85.272 72.016 60.368 50.070 40.903 32.686 25.271 18.532 12.370 6.703 1.470 -3.379 -12.084 -13.685 -15.243 -16.762 -18.243 -19.687 -21.098 -22.475 -23.822 -25.140 -26.430 -27.695 -28.935 -30.153 -31.349 -32.525 -33.683 -34.824 -35.948 -37.058 -38.155 136.879 118.340 101.248 86.177 72.965 61.349 51.080 41.947 33.771 26.406 19.730 13.641 8.056 2.908 -1.855 -10.396 -11.966 -13.494 -14.984 -16.436 -17.852 -19.235 -20.585 -21.906 -23.198 -24.464 -25.704 -26.920 -28.114 -29.288 -30.442 -31.578 -32.698 -33.803 -34.893 -35.970 136.934 118.866 101.952 86.966 73.804 62.222 51.982 42.879 34.739 27.417 20.792 14.765 9.249 4.176 -0.510 -8.897 -10.437 -11.936 -13.397 -14.820 -16.208 -17.562 -18.885 -20.178 -21.443 -22.681 -23.893 -25.083 -26.250 -27.397 -28.524 -29.633 -30.726 -31.803 -32.866 -33.916 136.858 119.282 102.552 87.657 74.548 63.003 52.793 43.718 35.610 28.325 21.744 15.767 10.310 5.302 0.685 -7.562 -9.074 -10.546 -11.978 -13.374 -14.735 -16.063 -17.359 -18.625 -19.863 -21.075 -22.261 -23.424 -24.565 -25.684 -26.785 -27.867 -28.933 -29.983 -31.018 -32.040 99999.999 119.607 103.065 88.264 75.213 63.705 53.526 44.479 36.400 29.147 22.603 16.670 11.263 6.311 1.754 -6.367 -7.854 -9.300 -10.708 -12.079 -13.415 -14.717 -15.989 -17.230 -18.444 -19.630 -20.792 -21.930 -23.046 -24.141 -25.217 -26.274 -27.314 -28.339 -29.349 -30.345 sapphirine(221) Mg4Al8Si2O20 Skip P-T:All Wt.(g/mol) = 689.260 V(cc/mol) = 199.000 D(g/cc) = 3.464 Ref: H&P2011 5 4.000 10 8.000 8 2.000 7 12.000 2 -32.000 1 150.814 128.022 108.493 91.676 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 150.814 128.022 108.493 91.676 77.035 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 150.822 128.029 108.501 91.684 77.042 64.133 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 150.836 128.043 108.515 91.697 77.056 64.147 52.615 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 150.860 128.067 108.538 91.720 77.079 64.171 52.640 42.204 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 150.897 128.105 108.575 91.757 77.116 64.208 52.679 42.246 32.682 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 150.953 128.161 108.631 91.812 77.170 64.264 52.738 42.308 32.750 23.852 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 151.033 128.242 108.710 91.890 77.249 64.344 52.821 42.397 32.847 23.961 15.523 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 151.143 128.352 108.818 91.998 77.356 64.454 52.936 42.519 32.979 24.110 15.698 7.548 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 151.287 128.498 108.962 92.140 77.499 64.599 53.087 42.680 33.155 24.306 15.930 7.831 -0.058 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 151.473 128.686 109.148 92.324 77.683 64.787 53.282 42.888 33.380 24.559 16.227 8.197 0.368 -6.926 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 151.707 128.924 109.384 92.557 77.916 65.025 53.530 43.151 33.666 24.878 16.602 8.660 0.932 -6.513 -11.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 151.885 129.106 109.564 92.735 78.095 65.207 53.719 43.352 33.883 25.121 16.885 9.010 1.371 -6.068 -13.065 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.134 129.361 109.817 92.986 78.346 65.463 53.985 43.634 34.188 25.460 17.282 9.500 1.992 -5.345 -12.975 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.375 129.610 110.064 93.232 78.592 65.713 54.245 43.909 34.485 25.789 17.665 9.971 2.595 -4.589 -12.222 40.162 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.609 129.853 110.306 93.472 78.833 65.958 54.499 44.178 34.774 26.109 18.035 10.423 3.174 -3.837 -11.249 4.398 19.687 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.835 130.090 110.543 93.707 79.068 66.197 54.747 44.440 35.056 26.421 18.392 10.856 3.725 -3.112 -10.221 -4.092 1.264 10.906 25.095 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.055 130.321 110.774 93.937 79.299 66.432 54.990 44.696 35.331 26.723 18.737 11.270 4.247 -2.425 -9.213 -7.821 -5.582 -1.395 5.356 14.652 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.269 130.546 111.000 94.162 79.525 66.662 55.228 44.946 35.600 27.017 19.071 11.666 4.738 -1.784 -8.266 -9.846 -9.015 -7.103 -3.778 1.218 7.784 15.218 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.476 130.766 111.222 94.383 79.746 66.886 55.460 45.191 35.862 27.304 19.393 12.043 5.200 -1.191 -7.400 -11.050 -10.993 -10.251 -8.639 -5.974 -2.156 2.709 8.231 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.677 130.981 111.438 94.599 79.963 67.107 55.688 45.431 36.118 27.583 19.705 12.403 5.631 -0.648 -6.624 -11.792 -12.215 -12.161 -11.521 -10.177 -8.031 -5.053 -1.332 2.897 7.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.871 131.191 111.650 94.811 80.175 67.323 55.911 45.665 36.368 27.855 20.006 12.747 6.035 -0.154 -5.940 -12.248 -12.992 -13.381 -13.347 -12.814 -11.707 -9.977 -7.621 -4.711 -1.395 2.127 5.661 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 154.060 131.396 111.858 95.018 80.384 67.534 56.129 45.894 36.613 28.120 20.298 13.074 6.412 0.294 -5.347 -12.516 -13.485 -14.178 -14.549 -14.548 -14.120 -13.222 -11.827 -9.947 -7.634 -4.985 -2.123 0.833 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 154.244 131.596 112.061 95.222 80.588 67.742 56.343 46.119 36.852 28.378 20.581 13.388 6.764 0.699 -4.839 -12.654 -13.787 -14.698 -15.355 -15.720 -15.758 -15.432 -14.714 -13.594 -12.084 -10.224 -8.077 -5.720 -3.228 -0.660 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 154.421 131.792 112.260 95.421 80.788 67.945 56.553 46.339 37.087 28.631 20.855 13.688 7.094 1.065 -4.405 -12.698 -13.956 -15.029 -15.893 -16.523 -16.893 -16.973 -16.741 -16.180 -15.286 -14.070 -12.561 -10.800 -8.838 -6.721 -4.485 99999.999 99999.999 99999.999 99999.999 99999.999 154.594 131.983 112.455 95.617 80.985 68.145 56.759 46.555 37.316 28.877 21.121 13.976 7.405 1.399 -4.037 -12.675 -14.028 -15.224 -16.244 -17.072 -17.685 -18.064 -18.189 -18.043 -17.617 -16.909 -15.930 -14.698 -13.243 -11.594 -9.783 -7.832 -5.756 99999.999 99999.999 99999.999 154.761 132.170 112.646 95.809 81.178 68.341 56.961 46.766 37.541 29.118 21.381 14.254 7.700 1.707 -3.718 -12.600 -14.029 -15.320 -16.461 -17.438 -18.236 -18.840 -19.233 -19.401 -19.333 -19.022 -18.470 -17.683 -16.676 -15.465 -14.072 -12.515 -10.809 -8.963 99999.999 99999.999 154.923 132.352 112.833 95.997 81.368 68.534 57.159 46.974 37.761 29.353 21.633 14.524 7.982 1.994 -3.435 -12.487 -13.975 -15.342 -16.577 -17.671 -18.612 -19.388 -19.986 -20.395 -20.604 -20.606 -20.396 -19.974 -19.346 -18.522 -17.512 -16.331 -14.989 -13.496 -11.857 -10.075 155.080 132.531 113.017 96.182 81.554 68.723 57.354 47.177 37.976 29.584 21.880 14.786 8.256 2.271 -3.171 -12.344 -13.880 -15.307 -16.618 -17.804 -18.857 -19.768 -20.527 -21.124 -21.550 -21.798 -21.861 -21.737 -21.426 -20.932 -20.260 -19.418 -18.415 -17.258 -15.952 -14.503 156.408 134.112 114.669 97.857 83.246 70.442 59.121 49.019 39.922 31.660 24.102 17.152 10.744 4.834 -0.614 -10.220 -11.947 -13.612 -15.215 -16.759 -18.242 -19.665 -21.029 -22.332 -23.576 -24.757 -25.877 -26.934 -27.926 -28.853 -29.713 -30.506 -31.229 -31.884 -32.468 -32.981 157.360 135.382 116.041 99.270 84.683 71.905 60.623 50.578 41.560 33.399 25.958 19.134 12.849 7.045 1.678 -7.890 -9.636 -11.330 -12.975 -14.572 -16.124 -17.631 -19.096 -20.520 -21.904 -23.249 -24.558 -25.829 -27.066 -28.268 -29.436 -30.572 -31.675 -32.746 -33.787 -34.798 158.017 136.405 117.192 100.476 85.920 73.170 61.921 51.922 42.966 34.885 27.539 20.821 14.646 8.949 3.679 -5.745 -7.471 -9.149 -10.783 -12.372 -13.920 -15.429 -16.900 -18.335 -19.737 -21.106 -22.445 -23.754 -25.037 -26.293 -27.524 -28.732 -29.918 -31.083 -32.228 -33.355 158.438 137.230 118.164 101.515 86.997 74.276 63.058 53.098 44.192 36.174 28.907 22.279 16.200 10.600 5.425 -3.830 -5.527 -7.177 -8.784 -10.349 -11.874 -13.361 -14.813 -16.230 -17.615 -18.971 -20.297 -21.597 -22.872 -24.123 -25.352 -26.560 -27.749 -28.920 -30.074 -31.214 158.669 137.894 118.990 102.416 87.942 75.253 64.065 54.138 45.274 37.309 30.106 23.552 17.556 12.044 6.957 -2.132 -3.797 -5.417 -6.994 -8.529 -10.026 -11.485 -12.910 -14.301 -15.660 -16.990 -18.292 -19.568 -20.819 -22.048 -23.254 -24.441 -25.609 -26.760 -27.895 -29.016 158.744 138.426 119.694 103.203 88.777 76.122 64.963 55.068 46.240 38.319 31.168 24.678 18.753 13.317 8.308 -0.624 -2.259 -3.849 -5.396 -6.902 -8.370 -9.801 -11.197 -12.560 -13.891 -15.194 -16.468 -17.717 -18.940 -20.141 -21.321 -22.481 -23.621 -24.745 -25.853 -26.945 158.690 138.850 120.296 103.893 89.519 76.900 65.771 55.905 47.110 39.226 32.120 25.682 19.817 14.448 9.509 0.720 -0.886 -2.448 -3.968 -5.446 -6.886 -8.290 -9.659 -10.995 -12.299 -13.575 -14.822 -16.044 -17.241 -18.415 -19.567 -20.699 -21.813 -22.908 -23.988 -25.052 99999.999 139.184 120.812 104.500 90.182 77.601 66.503 56.665 47.899 40.048 32.981 26.586 20.772 15.460 10.583 1.923 0.342 -1.194 -2.688 -4.141 -5.556 -6.934 -8.277 -9.588 -10.868 -12.118 -13.341 -14.537 -15.709 -16.858 -17.985 -19.091 -20.179 -21.249 -22.303 -23.341 sapphirine(351) Mg3Al10SiO20 P-T:All Wt.(g/mol) = 690.795 V(cc/mol) = 197.500 D(g/cc) = 3.498 Ref: H&P2011 5 3.000 10 10.000 8 1.000 7 16.000 2 -36.000 1 160.965 135.496 113.710 94.946 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 160.965 135.496 113.710 94.946 78.594 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 160.973 135.505 113.719 94.954 78.602 64.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 160.989 135.521 113.734 94.970 78.617 64.182 51.266 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 161.017 135.548 113.761 94.996 78.643 64.208 51.293 39.585 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 161.060 135.591 113.803 95.037 78.685 64.251 51.337 39.632 28.885 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 161.125 135.656 113.866 95.100 78.747 64.314 51.403 39.702 28.961 18.948 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 161.218 135.748 113.957 95.188 78.836 64.404 51.497 39.802 29.070 19.070 9.560 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 161.345 135.874 114.080 95.310 78.957 64.528 51.626 39.939 29.219 19.237 9.756 0.562 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 161.513 136.042 114.245 95.472 79.119 64.692 51.797 40.121 29.416 19.457 10.016 0.879 -8.019 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 161.730 136.258 114.457 95.681 79.327 64.904 52.017 40.355 29.670 19.741 10.349 1.289 -7.544 -15.745 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 162.003 136.533 114.727 95.947 79.593 65.174 52.297 40.652 29.991 20.100 10.770 1.808 -6.915 -15.302 -21.256 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 162.212 136.743 114.933 96.150 79.796 65.380 52.511 40.878 30.236 20.372 11.089 2.201 -6.424 -14.812 -22.645 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 162.504 137.039 115.225 96.438 80.082 65.671 52.813 41.197 30.580 20.754 11.534 2.751 -5.727 -14.008 -22.596 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 162.789 137.328 115.510 96.719 80.363 65.956 53.107 41.509 30.915 21.125 11.965 3.281 -5.050 -13.161 -21.773 39.476 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 163.067 137.611 115.790 96.995 80.639 66.235 53.396 41.813 31.242 21.486 12.382 3.790 -4.399 -12.318 -20.688 -2.200 15.681 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 163.337 137.888 116.064 97.266 80.909 66.509 53.679 42.111 31.561 21.838 12.785 4.277 -3.779 -11.503 -19.535 -12.109 -5.803 5.503 22.150 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 163.601 138.159 116.332 97.532 81.174 66.777 53.956 42.402 31.873 22.180 13.174 4.744 -3.191 -10.731 -18.402 -16.481 -13.804 -8.858 -0.917 10.011 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 163.857 138.425 116.596 97.793 81.434 67.040 54.227 42.687 32.178 22.513 13.551 5.190 -2.638 -10.009 -17.335 -18.867 -17.831 -15.537 -11.595 -5.700 2.040 10.819 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 164.108 138.685 116.855 98.049 81.689 67.299 54.493 42.966 32.476 22.838 13.915 5.616 -2.118 -9.342 -16.359 -20.296 -20.164 -19.234 -17.290 -14.118 -9.597 -3.845 2.690 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 164.351 138.939 117.108 98.300 81.940 67.552 54.754 43.240 32.767 23.154 14.268 6.022 -1.631 -8.730 -15.485 -21.186 -21.615 -21.488 -20.678 -19.048 -16.482 -12.941 -8.528 -3.511 1.722 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 164.589 139.189 117.357 98.547 82.186 67.801 55.010 43.508 33.053 23.463 14.610 6.410 -1.176 -8.174 -14.715 -21.743 -22.545 -22.936 -22.835 -22.151 -20.800 -18.720 -15.907 -12.443 -8.499 -4.304 -0.086 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 164.821 139.433 117.602 98.790 82.429 68.046 55.262 43.770 33.332 23.765 14.940 6.781 -0.751 -7.670 -14.048 -22.078 -23.144 -23.891 -24.263 -24.201 -23.643 -22.536 -20.849 -18.593 -15.829 -12.669 -9.255 -5.725 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 165.047 139.673 117.842 99.028 82.667 68.286 55.508 44.028 33.606 24.059 15.261 7.135 -0.354 -7.215 -13.477 -22.261 -23.520 -24.522 -25.228 -25.596 -25.582 -25.144 -24.249 -22.884 -21.063 -18.831 -16.262 -13.444 -10.466 -7.395 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 165.268 139.908 118.078 99.262 82.900 68.523 55.751 44.281 33.874 24.347 15.573 7.475 0.019 -6.802 -12.991 -22.334 -23.739 -24.930 -25.880 -26.558 -26.932 -26.970 -26.644 -25.934 -24.835 -23.360 -21.541 -19.428 -17.077 -14.543 -11.871 99999.999 99999.999 99999.999 99999.999 99999.999 165.483 140.139 118.310 99.493 83.131 68.755 55.989 44.530 34.137 24.628 15.876 7.802 0.370 -6.427 -12.578 -22.326 -23.845 -25.180 -26.313 -27.222 -27.882 -28.270 -28.361 -28.138 -27.587 -26.709 -25.512 -24.021 -22.268 -20.289 -18.119 -15.787 -13.308 99999.999 99999.999 99999.999 165.692 140.365 118.538 99.720 83.357 68.983 56.223 44.773 34.394 24.903 16.171 8.118 0.703 -6.081 -12.223 -22.258 -23.865 -25.313 -26.588 -27.672 -28.549 -29.200 -29.606 -29.750 -29.620 -29.207 -28.512 -27.543 -26.317 -24.853 -23.177 -21.310 -19.270 -17.067 99999.999 99999.999 165.897 140.586 118.762 99.943 83.580 69.208 56.453 45.013 34.647 25.173 16.460 8.424 1.022 -5.758 -11.907 -22.144 -23.822 -25.359 -26.745 -27.966 -29.011 -29.864 -30.512 -30.938 -31.133 -31.085 -30.791 -30.251 -29.471 -28.462 -27.237 -25.812 -24.200 -22.414 -20.459 -18.339 166.097 140.804 118.982 100.162 83.799 69.429 56.679 45.248 34.896 25.438 16.742 8.722 1.332 -5.446 -11.611 -21.994 -23.730 -25.338 -26.812 -28.143 -29.320 -30.331 -31.167 -31.815 -32.264 -32.505 -32.532 -32.341 -31.932 -31.311 -30.483 -29.457 -28.244 -26.853 -25.290 -23.561 167.844 142.774 120.996 102.179 85.817 71.464 58.756 47.399 37.155 27.835 19.295 11.429 4.167 -2.540 -8.729 -19.653 -21.618 -23.513 -25.338 -27.093 -28.781 -30.400 -31.950 -33.432 -34.844 -36.186 -37.456 -38.654 -39.777 -40.825 -41.796 -42.690 -43.503 -44.237 -44.890 -45.462 169.209 144.428 122.727 103.929 87.574 73.235 60.557 49.253 39.088 29.873 21.457 13.725 6.592 -0.004 -6.112 -17.021 -19.014 -20.949 -22.828 -24.653 -26.427 -28.150 -29.825 -31.454 -33.038 -34.578 -36.075 -37.531 -38.947 -40.323 -41.661 -42.961 -44.224 -45.451 -46.644 -47.801 170.275 145.832 124.234 105.470 89.128 74.802 62.147 50.882 40.776 31.641 23.324 15.704 8.688 2.204 -3.803 -14.568 -16.543 -18.465 -20.335 -22.157 -23.931 -25.662 -27.350 -28.997 -30.607 -32.180 -33.718 -35.224 -36.698 -38.143 -39.560 -40.950 -42.316 -43.658 -44.977 -46.276 171.103 147.037 125.560 106.840 90.518 76.207 63.571 52.336 42.275 33.202 24.964 17.437 10.522 4.141 -1.767 -12.357 -14.302 -16.196 -18.040 -19.837 -21.589 -23.299 -24.968 -26.599 -28.195 -29.756 -31.285 -32.783 -34.254 -35.697 -37.116 -38.512 -39.885 -41.239 -42.574 -43.892 171.739 148.081 126.739 108.073 91.775 77.479 64.862 53.651 43.625 34.601 26.425 18.974 12.144 5.855 0.039 -10.377 -12.290 -14.151 -15.964 -17.731 -19.454 -21.136 -22.777 -24.382 -25.951 -27.486 -28.991 -30.465 -31.912 -33.333 -34.730 -36.105 -37.458 -38.792 -40.109 -41.408 172.220 148.993 127.796 109.189 92.921 78.643 66.042 54.852 44.854 35.868 27.743 20.353 13.596 7.384 1.651 -8.602 -10.483 -12.313 -14.095 -15.832 -17.524 -19.176 -20.788 -22.363 -23.903 -25.410 -26.886 -28.332 -29.751 -31.144 -32.512 -33.859 -35.184 -36.489 -37.777 -39.048 172.572 149.797 128.752 110.209 93.974 79.715 67.130 55.958 45.984 37.029 28.944 21.604 14.906 8.762 3.101 -7.003 -8.855 -10.656 -12.409 -14.116 -15.780 -17.403 -18.987 -20.534 -22.046 -23.525 -24.972 -26.390 -27.781 -29.145 -30.485 -31.802 -33.099 -34.375 -35.633 -36.874 99999.999 150.514 129.622 111.147 94.947 80.710 68.140 56.985 47.031 38.101 30.048 22.750 16.101 10.013 4.414 -5.557 -7.382 -9.156 -10.883 -12.564 -14.201 -15.798 -17.355 -18.876 -20.362 -21.814 -23.235 -24.627 -25.991 -27.329 -28.642 -29.933 -31.202 -32.451 -33.682 -34.895 siderite FeCO3 P-T:All Wt.(g/mol) = 115.860 V(cc/mol) = 29.430 D(g/cc) = 3.937 Ref: H&P2011 3 1.000 11 1.000 5 -1.000 1 -1.478 -1.762 -2.055 -2.345 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.478 -1.762 -2.055 -2.345 -2.629 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.477 -1.761 -2.055 -2.344 -2.628 -2.911 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.476 -1.760 -2.054 -2.343 -2.627 -2.910 -3.196 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.473 -1.758 -2.052 -2.341 -2.626 -2.908 -3.194 -3.487 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.470 -1.755 -2.049 -2.338 -2.623 -2.905 -3.191 -3.484 -3.789 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.464 -1.750 -2.045 -2.334 -2.619 -2.901 -3.186 -3.479 -3.784 -4.109 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.456 -1.743 -2.038 -2.328 -2.613 -2.895 -3.180 -3.471 -3.775 -4.099 -4.457 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.444 -1.734 -2.030 -2.320 -2.604 -2.886 -3.171 -3.461 -3.764 -4.086 -4.440 -4.845 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.430 -1.721 -2.018 -2.309 -2.594 -2.875 -3.158 -3.448 -3.749 -4.068 -4.417 -4.814 -5.284 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.410 -1.705 -2.004 -2.295 -2.579 -2.861 -3.143 -3.431 -3.729 -4.045 -4.388 -4.775 -5.229 -5.786 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-6.246 -6.334 -6.455 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.219 -1.543 -1.855 -2.152 -2.437 -2.714 -2.988 -3.261 -3.539 -3.824 -4.120 -4.430 -4.760 -5.117 -5.536 -6.003 -6.123 -6.238 -6.346 -6.457 -6.592 -6.789 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.196 -1.523 -1.837 -2.134 -2.420 -2.697 -2.969 -3.241 -3.517 -3.799 -4.090 -4.394 -4.713 -5.055 -5.444 -5.953 -6.079 -6.202 -6.322 -6.440 -6.564 -6.707 -6.889 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.174 -1.504 -1.819 -2.117 -2.403 -2.679 -2.951 -3.221 -3.495 -3.774 -4.062 -4.359 -4.670 -4.998 -5.361 -5.902 -6.029 -6.155 -6.280 -6.404 -6.530 -6.661 -6.808 -6.979 -7.185 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.152 -1.485 -1.802 -2.101 -2.386 -2.662 -2.933 -3.202 -3.474 -3.750 -4.034 -4.326 -4.629 -4.945 -5.287 -5.850 -5.977 -6.104 -6.231 -6.357 -6.485 -6.614 -6.750 -6.897 -7.061 -7.246 -7.454 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.131 -1.467 -1.784 -2.084 -2.370 -2.645 -2.915 -3.183 -3.453 -3.727 -4.007 -4.294 -4.591 -4.897 -5.221 -5.799 -5.925 -6.051 -6.178 -6.306 -6.434 -6.563 -6.695 -6.832 -6.978 -7.134 -7.304 -7.488 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.110 -1.449 -1.768 -2.068 -2.354 -2.629 -2.898 -3.164 -3.432 -3.704 -3.981 -4.264 -4.554 -4.853 -5.163 -5.749 -5.873 -5.999 -6.125 -6.252 -6.379 -6.508 -6.639 -6.772 -6.909 -7.052 -7.201 -7.359 -7.524 -7.695 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.089 -1.431 -1.751 -2.052 -2.338 -2.613 -2.881 -3.146 -3.412 -3.681 -3.955 -4.235 -4.520 -4.812 -5.112 -5.700 -5.823 -5.947 -6.072 -6.198 -6.324 -6.452 -6.581 -6.712 -6.844 -6.980 -7.119 -7.263 -7.410 -7.561 -7.713 99999.999 99999.999 99999.999 99999.999 99999.999 -1.069 -1.413 -1.735 -2.036 -2.322 -2.597 -2.864 -3.128 -3.393 -3.660 -3.931 -4.207 -4.488 -4.774 -5.066 -5.653 -5.774 -5.896 -6.019 -6.144 -6.269 -6.395 -6.523 -6.652 -6.782 -6.913 -7.047 -7.182 -7.320 -7.458 -7.597 -7.735 -7.869 99999.999 99999.999 99999.999 -1.050 -1.396 -1.719 -2.021 -2.307 -2.581 -2.848 -3.111 -3.373 -3.638 -3.907 -4.180 -4.457 -4.739 -5.025 -5.607 -5.726 -5.847 -5.968 -6.091 -6.215 -6.339 -6.465 -6.592 -6.720 -6.849 -6.979 -7.109 -7.241 -7.372 -7.503 -7.632 -7.758 -7.880 99999.999 99999.999 -1.031 -1.380 -1.703 -2.006 -2.292 -2.566 -2.832 -3.094 -3.355 -3.618 -3.884 -4.154 -4.428 -4.705 -4.987 -5.562 -5.680 -5.798 -5.918 -6.039 -6.161 -6.284 -6.408 -6.533 -6.659 -6.786 -6.913 -7.041 -7.168 -7.296 -7.422 -7.546 -7.667 -7.784 -7.895 -7.999 -1.012 -1.363 -1.688 -1.991 -2.277 -2.550 -2.816 -3.077 -3.336 -3.597 -3.861 -4.128 -4.399 -4.674 -4.951 -5.519 -5.635 -5.752 -5.870 -5.989 -6.109 -6.230 -6.353 -6.476 -6.600 -6.725 -6.850 -6.975 -7.100 -7.224 -7.347 -7.468 -7.586 -7.701 -7.810 -7.913 -0.845 -1.213 -1.546 -1.853 -2.140 -2.411 -2.670 -2.922 -3.169 -3.414 -3.658 -3.903 -4.149 -4.396 -4.644 -5.144 -5.245 -5.347 -5.450 -5.553 -5.657 -5.761 -5.867 -5.973 -6.080 -6.187 -6.296 -6.404 -6.513 -6.623 -6.732 -6.841 -6.950 -7.058 -7.165 -7.271 -0.710 -1.086 -1.425 -1.734 -2.021 -2.290 -2.545 -2.790 -3.027 -3.260 -3.490 -3.718 -3.945 -4.171 -4.397 -4.849 -4.940 -5.031 -5.122 -5.213 -5.305 -5.397 -5.490 -5.583 -5.677 -5.771 -5.866 -5.962 -6.057 -6.154 -6.251 -6.348 -6.446 -6.544 -6.642 -6.740 -0.599 -0.979 -1.320 -1.630 -1.916 -2.183 -2.434 -2.674 -2.904 -3.127 -3.345 -3.560 -3.773 -3.983 -4.192 -4.607 -4.689 -4.772 -4.854 -4.937 -5.020 -5.103 -5.187 -5.270 -5.354 -5.438 -5.523 -5.608 -5.694 -5.780 -5.866 -5.953 -6.040 -6.128 -6.216 -6.305 -0.509 -0.886 -1.227 -1.538 -1.823 -2.088 -2.336 -2.571 -2.795 -3.011 -3.220 -3.424 -3.625 -3.822 -4.017 -4.402 -4.478 -4.554 -4.630 -4.706 -4.782 -4.858 -4.934 -5.010 -5.087 -5.163 -5.240 -5.317 -5.394 -5.472 -5.550 -5.629 -5.707 -5.787 -5.867 -5.947 -0.434 -0.806 -1.146 -1.455 -1.739 -2.002 -2.247 -2.478 -2.698 -2.907 -3.109 -3.304 -3.495 -3.682 -3.866 -4.225 -4.296 -4.367 -4.438 -4.508 -4.578 -4.649 -4.719 -4.789 -4.859 -4.930 -5.000 -5.071 -5.142 -5.213 -5.284 -5.356 -5.428 -5.501 -5.574 -5.647 -0.373 -0.737 -1.074 -1.381 -1.663 -1.924 -2.167 -2.395 -2.610 -2.814 -3.010 -3.198 -3.381 -3.558 -3.732 -4.071 -4.138 -4.204 -4.270 -4.336 -4.402 -4.467 -4.533 -4.598 -4.663 -4.729 -4.794 -4.860 -4.925 -4.991 -5.057 -5.123 -5.190 -5.257 -5.324 -5.392 -0.323 -0.675 -1.009 -1.315 -1.595 -1.853 -2.094 -2.318 -2.530 -2.730 -2.920 -3.102 -3.278 -3.448 -3.614 -3.935 -3.998 -4.060 -4.123 -4.185 -4.246 -4.308 -4.369 -4.431 -4.492 -4.553 -4.614 -4.675 -4.737 -4.798 -4.860 -4.922 -4.984 -5.046 -5.109 -5.172 99999.999 -0.622 -0.951 -1.254 -1.532 -1.788 -2.026 -2.248 -2.456 -2.652 -2.838 -3.015 -3.185 -3.349 -3.507 -3.813 -3.873 -3.932 -3.991 -4.050 -4.108 -4.167 -4.225 -4.282 -4.340 -4.398 -4.455 -4.513 -4.571 -4.629 -4.687 -4.745 -4.803 -4.862 -4.921 -4.980 sillimanite Al2SiO5 P-T:All Wt.(g/mol) = 162.050 V(cc/mol) = 49.860 D(g/cc) = 3.250 Ref: H&P2011 4 2.000 8 1.000 7 1.000 2 -6.000 1 16.601 13.143 10.126 7.503 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.601 13.143 10.126 7.503 5.202 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.602 13.144 10.128 7.504 5.203 3.160 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.605 13.147 10.131 7.507 5.206 3.163 1.324 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.610 13.152 10.136 7.513 5.211 3.168 1.329 -0.349 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.618 13.160 10.144 7.521 5.220 3.177 1.338 -0.340 -1.893 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.629 13.172 10.156 7.533 5.232 3.189 1.351 -0.326 -1.878 -3.338 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.645 13.190 10.174 7.550 5.249 3.207 1.370 -0.306 -1.856 -3.314 -4.717 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.667 13.213 10.197 7.574 5.273 3.231 1.395 -0.280 -1.827 -3.282 -4.679 -6.053 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.696 13.244 10.228 7.605 5.305 3.263 1.428 -0.244 -1.789 -3.239 -4.629 -5.993 -7.340 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.733 13.284 10.269 7.645 5.345 3.305 1.472 -0.198 -1.739 -3.184 -4.565 -5.915 -7.250 -8.499 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.779 13.334 10.320 7.697 5.397 3.358 1.527 -0.140 -1.677 -3.114 -4.484 -5.817 -7.132 -8.411 -9.293 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.814 13.372 10.359 7.736 5.436 3.398 1.568 -0.096 -1.629 -3.061 -4.423 -5.742 -7.040 -8.318 -9.523 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.863 13.426 10.413 7.790 5.491 3.454 1.627 -0.034 -1.562 -2.988 -4.338 -5.638 -6.909 -8.168 -9.501 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.909 13.478 10.466 7.844 5.545 3.510 1.684 0.027 -1.497 -2.916 -4.255 -5.538 -6.783 -8.011 -9.345 1.535 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.954 13.528 10.518 7.896 5.598 3.563 1.740 0.086 -1.434 -2.847 -4.176 -5.442 -6.661 -7.855 -9.146 -5.685 -2.539 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.997 13.577 10.568 7.946 5.649 3.616 1.794 0.143 -1.372 -2.779 -4.099 -5.350 -6.545 -7.704 -8.935 -7.385 -6.248 -4.245 -1.311 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.039 13.624 10.617 7.996 5.699 3.667 1.848 0.199 -1.312 -2.713 -4.025 -5.262 -6.436 -7.562 -8.729 -8.128 -7.618 -6.718 -5.300 -3.363 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.079 13.670 10.665 8.044 5.748 3.717 1.899 0.254 -1.254 -2.650 -3.953 -5.177 -6.332 -7.428 -8.535 -8.527 -8.301 -7.860 -7.135 -6.073 -4.691 -3.127 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.117 13.715 10.711 8.091 5.796 3.766 1.950 0.307 -1.197 -2.588 -3.883 -5.097 -6.235 -7.304 -8.357 -8.762 -8.692 -8.486 -8.106 -7.516 -6.693 -5.657 -4.485 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.154 13.758 10.756 8.137 5.843 3.814 2.000 0.359 -1.141 -2.527 -3.816 -5.020 -6.143 -7.191 -8.196 -8.905 -8.931 -8.863 -8.679 -8.355 -7.870 -7.218 -6.416 -5.509 -4.564 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.189 13.800 10.800 8.182 5.888 3.860 2.048 0.410 -1.087 -2.468 -3.751 -4.947 -6.058 -7.087 -8.055 -8.991 -9.081 -9.102 -9.039 -8.878 -8.604 -8.204 -7.680 -7.043 -6.323 -5.560 -4.793 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.223 13.841 10.843 8.226 5.933 3.906 2.095 0.460 -1.034 -2.411 -3.689 -4.876 -5.978 -6.992 -7.931 -9.039 -9.174 -9.255 -9.275 -9.221 -9.083 -8.851 -8.521 -8.094 -7.579 -6.997 -6.370 -5.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.256 13.880 10.885 8.269 5.976 3.950 2.141 0.508 -0.982 -2.355 -3.628 -4.809 -5.903 -6.907 -7.825 -9.061 -9.228 -9.354 -9.430 -9.450 -9.405 -9.289 -9.096 -8.823 -8.471 -8.050 -7.571 -7.049 -6.500 -5.934 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.287 13.919 10.926 8.311 6.019 3.994 2.187 0.556 -0.932 -2.301 -3.569 -4.745 -5.832 -6.829 -7.734 -9.064 -9.257 -9.414 -9.532 -9.605 -9.627 -9.593 -9.498 -9.337 -9.110 -8.820 -8.471 -8.072 -7.632 -7.161 -6.666 99999.999 99999.999 99999.999 99999.999 99999.999 17.317 13.956 10.966 8.352 6.061 4.037 2.231 0.602 -0.882 -2.248 -3.512 -4.683 -5.766 -6.758 -7.655 -9.054 -9.266 -9.448 -9.597 -9.709 -9.781 -9.806 -9.782 -9.706 -9.574 -9.386 -9.145 -8.853 -8.517 -8.142 -7.735 -7.300 -6.840 99999.999 99999.999 99999.999 17.345 13.992 11.004 8.392 6.101 4.078 2.274 0.648 -0.834 -2.196 -3.456 -4.624 -5.702 -6.692 -7.587 -9.034 -9.261 -9.462 -9.635 -9.777 -9.886 -9.956 -9.986 -9.973 -9.913 -9.805 -9.651 -9.449 -9.204 -8.919 -8.598 -8.244 -7.860 -7.449 99999.999 99999.999 17.372 14.028 11.042 8.431 6.141 4.119 2.317 0.692 -0.787 -2.146 -3.402 -4.566 -5.642 -6.630 -7.526 -9.006 -9.245 -9.461 -9.653 -9.819 -9.955 -10.061 -10.132 -10.167 -10.163 -10.118 -10.032 -9.905 -9.737 -9.530 -9.287 -9.010 -8.701 -8.362 -7.994 -7.598 17.398 14.062 11.079 8.469 6.180 4.159 2.358 0.736 -0.741 -2.096 -3.349 -4.510 -5.583 -6.570 -7.469 -8.973 -9.221 -9.449 -9.656 -9.840 -9.999 -10.132 -10.235 -10.307 -10.347 -10.352 -10.321 -10.254 -10.150 -10.010 -9.836 -9.628 -9.388 -9.118 -8.818 -8.490 17.598 14.352 11.401 8.806 6.528 4.517 2.729 1.125 -0.328 -1.655 -2.877 -4.006 -5.053 -6.023 -6.921 -8.507 -8.792 -9.067 -9.332 -9.587 -9.831 -10.065 -10.289 -10.502 -10.705 -10.897 -11.078 -11.247 -11.405 -11.551 -11.685 -11.807 -11.915 -12.011 -12.094 -12.163 17.705 14.563 11.652 9.076 6.810 4.811 3.035 1.446 0.012 -1.293 -2.488 -3.591 -4.611 -5.558 -6.437 -8.011 -8.300 -8.580 -8.852 -9.116 -9.374 -9.624 -9.867 -10.104 -10.334 -10.558 -10.776 -10.988 -11.194 -11.394 -11.589 -11.778 -11.962 -12.141 -12.315 -12.483 17.739 14.711 11.847 9.294 7.042 5.054 3.290 1.714 0.295 -0.990 -2.164 -3.242 -4.239 -5.162 -6.019 -7.561 -7.845 -8.121 -8.390 -8.653 -8.908 -9.158 -9.402 -9.640 -9.873 -10.101 -10.324 -10.543 -10.758 -10.968 -11.175 -11.378 -11.578 -11.775 -11.969 -12.160 17.713 14.809 11.995 9.468 7.233 5.257 3.504 1.940 0.535 -0.734 -1.889 -2.948 -3.922 -4.824 -5.660 -7.165 -7.442 -7.712 -7.975 -8.231 -8.482 -8.726 -8.966 -9.200 -9.429 -9.653 -9.873 -10.089 -10.302 -10.511 -10.717 -10.919 -11.119 -11.317 -11.512 -11.705 17.640 14.865 12.104 9.606 7.389 5.427 3.685 2.132 0.740 -0.516 -1.655 -2.696 -3.651 -4.533 -5.350 -6.817 -7.087 -7.350 -7.607 -7.857 -8.101 -8.339 -8.572 -8.800 -9.024 -9.242 -9.457 -9.668 -9.875 -10.079 -10.280 -10.477 -10.673 -10.865 -11.056 -11.245 17.527 14.887 12.182 9.714 7.517 5.568 3.839 2.297 0.916 -0.328 -1.454 -2.479 -3.418 -4.282 -5.081 -6.513 -6.776 -7.032 -7.282 -7.526 -7.763 -7.995 -8.222 -8.444 -8.661 -8.874 -9.082 -9.287 -9.488 -9.686 -9.881 -10.072 -10.262 -10.448 -10.633 -10.816 17.380 14.879 12.233 9.797 7.620 5.686 3.968 2.438 1.067 -0.165 -1.279 -2.291 -3.215 -4.064 -4.846 -6.246 -6.503 -6.753 -6.996 -7.234 -7.465 -7.691 -7.912 -8.127 -8.338 -8.545 -8.748 -8.946 -9.141 -9.333 -9.522 -9.708 -9.891 -10.072 -10.250 -10.427 99999.999 14.848 12.261 9.857 7.702 5.784 4.078 2.558 1.198 -0.024 -1.126 -2.127 -3.038 -3.873 -4.641 -6.011 -6.262 -6.506 -6.744 -6.975 -7.201 -7.421 -7.636 -7.846 -8.052 -8.253 -8.450 -8.643 -8.832 -9.018 -9.201 -9.382 -9.559 -9.734 -9.907 -10.078 sodalite Na8Al6Si6Cl2O24 P-T:All Wt.(g/mol) = 969.193 V(cc/mol) = 421.300 D(g/cc) = 2.300 Ref: H&P2011 5 8.000 13 2.000 3 6.000 7 -24.000 1 6.000 8 90.432 78.151 67.330 57.919 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.432 78.151 67.330 57.919 49.694 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.441 78.159 67.338 57.927 49.702 42.433 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.456 78.174 67.352 57.941 49.716 42.447 35.933 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.483 78.200 67.377 57.966 49.740 42.471 35.958 30.032 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.524 78.241 67.417 58.004 49.778 42.510 35.998 30.074 24.597 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.587 78.302 67.476 58.062 49.836 42.568 36.057 30.136 24.664 19.500 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.676 78.389 67.560 58.144 49.917 42.650 36.142 30.225 24.760 19.606 14.606 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.797 78.507 67.675 58.257 50.029 42.763 36.258 30.348 24.891 19.752 14.776 9.801 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.957 78.664 67.828 58.407 50.177 42.912 36.412 30.509 25.065 19.944 15.000 10.075 5.058 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 91.162 78.866 68.025 58.599 50.368 43.105 36.610 30.717 25.288 20.192 15.287 10.426 5.488 0.540 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 91.420 79.122 68.274 58.843 50.611 43.350 36.862 30.981 25.571 20.504 15.648 10.868 6.039 1.097 -3.264 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 91.615 79.315 68.463 59.030 50.795 43.536 37.053 31.182 25.785 20.740 15.921 11.201 6.459 1.585 -3.574 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 91.887 79.587 68.730 59.291 51.055 43.798 37.323 31.464 26.087 21.071 16.302 11.664 7.046 2.313 -3.045 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.150 79.851 68.989 59.547 51.309 44.054 37.585 31.739 26.380 21.393 16.670 12.108 7.609 3.038 -2.177 27.920 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.404 80.108 69.242 59.796 51.557 44.304 37.842 32.007 26.665 21.705 17.025 12.534 8.147 3.741 -1.218 7.697 16.189 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.648 80.358 69.488 60.039 51.799 44.548 38.092 32.269 26.944 22.008 17.368 12.942 8.658 4.410 -0.262 3.098 5.952 11.181 18.728 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 92.884 80.600 69.729 60.276 52.035 44.787 38.337 32.524 27.215 22.303 17.700 13.333 9.142 5.040 0.652 1.234 2.321 4.490 8.053 12.900 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.112 80.836 69.963 60.508 52.266 45.020 38.576 32.773 27.480 22.590 18.020 13.707 9.599 5.628 1.502 0.334 0.634 1.528 3.194 5.751 9.088 12.732 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.332 81.065 70.191 60.734 52.492 45.248 38.810 33.017 27.738 22.869 18.331 14.065 10.030 6.174 2.279 -0.109 -0.236 0.009 0.727 2.011 3.899 6.300 8.953 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.544 81.288 70.414 60.955 52.713 45.471 39.038 33.255 27.990 23.141 18.631 14.408 10.435 6.677 2.980 -0.301 -0.688 -0.819 -0.634 -0.072 0.915 2.332 4.108 6.089 8.075 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.749 81.504 70.631 61.171 52.928 45.689 39.262 33.488 28.236 23.405 18.922 14.735 10.817 7.140 3.604 -0.343 -0.899 -1.267 -1.411 -1.288 -0.862 -0.110 0.962 2.300 3.812 5.378 6.890 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.946 81.715 70.843 61.383 53.140 45.902 39.480 33.715 28.476 23.663 19.203 15.050 11.176 7.565 4.156 -0.287 -0.960 -1.488 -1.848 -2.010 -1.948 -1.639 -1.073 -0.262 0.760 1.932 3.184 4.450 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.136 81.920 71.050 61.589 53.346 46.111 39.694 33.938 28.711 23.915 19.477 15.351 11.515 7.955 4.641 -0.166 -0.922 -1.563 -2.072 -2.428 -2.613 -2.608 -2.399 -1.983 -1.369 -0.583 0.337 1.349 2.415 3.509 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.320 82.119 71.252 61.791 53.548 46.315 39.903 34.155 28.941 24.160 19.742 15.641 11.835 8.314 5.065 -0.001 -0.818 -1.540 -2.155 -2.649 -3.008 -3.216 -3.262 -3.138 -2.842 -2.382 -1.776 -1.046 -0.218 0.685 1.648 99999.999 99999.999 99999.999 99999.999 99999.999 94.496 82.313 71.449 61.988 53.746 46.515 40.108 34.368 29.166 24.400 20.000 15.920 12.138 8.645 5.439 0.195 -0.667 -1.450 -2.143 -2.737 -3.222 -3.585 -3.817 -3.908 -3.855 -3.656 -3.317 -2.849 -2.267 -1.584 -0.814 0.035 0.961 99999.999 99999.999 99999.999 94.666 82.501 71.641 62.181 53.939 46.711 40.309 34.577 29.385 24.634 20.251 16.190 12.428 8.954 5.771 0.414 -0.484 -1.312 -2.064 -2.732 -3.310 -3.788 -4.158 -4.411 -4.542 -4.548 -4.428 -4.185 -3.826 -3.359 -2.793 -2.134 -1.386 -0.549 99999.999 99999.999 94.830 82.684 71.829 62.369 54.129 46.903 40.506 34.781 29.601 24.863 20.496 16.452 12.706 9.247 6.074 0.648 -0.276 -1.139 -1.936 -2.661 -3.309 -3.874 -4.348 -4.724 -4.997 -5.163 -5.218 -5.161 -4.995 -4.723 -4.350 -3.879 -3.313 -2.655 -1.903 -1.053 94.987 82.863 72.012 62.554 54.314 47.091 40.698 34.981 29.811 25.087 20.735 16.707 12.975 9.528 6.360 0.893 -0.051 -0.941 -1.772 -2.541 -3.244 -3.875 -4.428 -4.899 -5.283 -5.573 -5.768 -5.864 -5.860 -5.756 -5.555 -5.258 -4.866 -4.382 -3.804 -3.132 96.255 84.394 73.623 64.194 55.974 48.778 42.429 36.778 31.699 27.089 22.870 18.983 15.390 12.063 8.981 3.486 2.485 1.515 0.576 -0.334 -1.215 -2.067 -2.891 -3.685 -4.450 -5.186 -5.892 -6.566 -7.208 -7.817 -8.392 -8.931 -9.433 -9.898 -10.323 -10.709 97.051 85.541 74.894 65.521 57.336 50.173 43.865 38.269 33.262 28.743 24.631 20.862 17.390 14.181 11.208 5.881 4.904 3.952 3.025 2.122 1.242 0.383 -0.456 -1.274 -2.074 -2.856 -3.621 -4.368 -5.099 -5.814 -6.514 -7.198 -7.868 -8.522 -9.161 -9.787 97.472 86.381 75.894 66.599 58.462 51.338 45.071 39.524 34.578 30.134 26.110 22.440 19.073 15.970 13.102 7.968 7.025 6.107 5.213 4.341 3.490 2.659 1.847 1.051 0.273 -0.491 -1.240 -1.976 -2.699 -3.411 -4.111 -4.802 -5.483 -6.155 -6.819 -7.476 97.592 86.972 76.674 67.474 59.396 52.317 46.093 40.591 35.699 31.318 27.368 23.782 20.505 17.497 14.723 9.774 8.867 7.985 7.126 6.289 5.472 4.675 3.896 3.133 2.387 1.655 0.937 0.231 -0.462 -1.146 -1.819 -2.484 -3.140 -3.789 -4.432 -5.069 97.465 87.357 77.269 68.179 60.171 53.142 46.962 41.505 36.661 32.335 28.449 24.935 21.737 18.811 16.123 11.344 10.471 9.622 8.797 7.993 7.209 6.445 5.699 4.970 4.256 3.557 2.872 2.200 1.538 0.888 0.247 -0.385 -1.009 -1.625 -2.236 -2.840 97.132 87.572 77.711 68.742 60.810 53.837 47.704 42.291 37.492 33.216 29.385 25.933 22.804 19.952 17.339 12.714 11.872 11.054 10.259 9.486 8.733 8.000 7.285 6.586 5.904 5.236 4.582 3.940 3.311 2.692 2.083 1.483 0.891 0.307 -0.271 -0.843 96.626 87.642 78.022 69.183 61.335 54.422 48.338 42.969 38.214 33.983 30.202 26.804 23.735 20.947 18.402 13.917 13.103 12.313 11.546 10.800 10.076 9.370 8.683 8.012 7.358 6.718 6.093 5.480 4.879 4.289 3.709 3.138 2.575 2.020 1.472 0.930 99999.999 87.589 78.220 69.519 61.760 54.912 48.878 43.554 38.841 34.654 30.918 27.569 24.552 21.822 19.337 14.976 14.187 13.423 12.681 11.961 11.262 10.581 9.919 9.274 8.645 8.031 7.431 6.843 6.268 5.703 5.149 4.604 4.068 3.539 3.017 2.501 sphene CaTiSiO5 P-T:All Wt.(g/mol) = 196.037 V(cc/mol) = 55.650 D(g/cc) = 3.523 Ref: H&P2011 5 -3.000 2 -2.000 1 1.000 7 1.000 34 1.000 9 1.743 0.847 0.040 -0.666 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.743 0.847 0.040 -0.666 -1.283 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.744 0.848 0.041 -0.665 -1.282 -1.826 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.745 0.849 0.042 -0.664 -1.281 -1.824 -2.310 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.748 0.852 0.045 -0.661 -1.278 -1.822 -2.307 -2.746 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.753 0.856 0.049 -0.657 -1.275 -1.818 -2.303 -2.742 -3.146 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.759 0.862 0.054 -0.652 -1.269 -1.813 -2.298 -2.736 -3.140 -3.519 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.769 0.871 0.063 -0.644 -1.261 -1.805 -2.290 -2.728 -3.131 -3.509 -3.874 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.782 0.883 0.074 -0.633 -1.251 -1.794 -2.279 -2.717 -3.119 -3.495 -3.859 -4.221 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.799 0.899 0.089 -0.619 -1.236 -1.780 -2.264 -2.701 -3.102 -3.478 -3.838 -4.197 -4.564 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.821 0.919 0.108 -0.600 -1.218 -1.761 -2.245 -2.682 -3.081 -3.455 -3.813 -4.166 -4.527 -4.902 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.848 0.944 0.132 -0.576 -1.195 -1.738 -2.221 -2.657 -3.055 -3.426 -3.780 -4.127 -4.479 -4.847 -5.224 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.869 0.964 0.151 -0.558 -1.177 -1.720 -2.203 -2.638 -3.035 -3.404 -3.755 -4.098 -4.443 -4.803 -5.205 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.898 0.991 0.177 -0.533 -1.152 -1.695 -2.177 -2.611 -3.006 -3.373 -3.721 -4.058 -4.393 -4.741 -5.139 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.927 1.017 0.202 -0.508 -1.127 -1.670 -2.152 -2.585 -2.979 -3.343 -3.687 -4.019 -4.346 -4.681 -5.062 -4.054 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.954 1.043 0.227 -0.484 -1.104 -1.646 -2.127 -2.559 -2.952 -3.314 -3.655 -3.981 -4.300 -4.623 -4.984 -4.828 -4.547 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.980 1.068 0.251 -0.461 -1.080 -1.623 -2.103 -2.534 -2.925 -3.286 -3.623 -3.945 -4.257 -4.568 -4.908 -4.983 -4.922 -4.772 -4.560 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.005 1.092 0.274 -0.438 -1.057 -1.600 -2.080 -2.509 -2.899 -3.258 -3.593 -3.910 -4.215 -4.516 -4.837 -5.027 -5.035 -5.002 -4.919 -4.802 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.029 1.116 0.297 -0.415 -1.035 -1.577 -2.057 -2.486 -2.874 -3.231 -3.563 -3.876 -4.175 -4.467 -4.770 -5.033 -5.071 -5.086 -5.073 -5.030 -4.967 -4.910 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.053 1.139 0.319 -0.394 -1.013 -1.555 -2.034 -2.462 -2.850 -3.205 -3.534 -3.844 -4.138 -4.421 -4.709 -5.022 -5.075 -5.114 -5.136 -5.138 -5.120 -5.090 -5.062 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.076 1.161 0.341 -0.372 -0.992 -1.534 -2.012 -2.439 -2.825 -3.179 -3.506 -3.812 -4.102 -4.378 -4.653 -5.002 -5.064 -5.117 -5.158 -5.185 -5.198 -5.197 -5.188 -5.180 -5.181 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.098 1.182 0.362 -0.351 -0.971 -1.513 -1.990 -2.417 -2.802 -3.154 -3.479 -3.782 -4.067 -4.338 -4.601 -4.976 -5.044 -5.105 -5.157 -5.200 -5.232 -5.253 -5.264 -5.270 -5.274 -5.283 -5.301 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.119 1.203 0.383 -0.331 -0.951 -1.492 -1.969 -2.395 -2.779 -3.129 -3.452 -3.753 -4.035 -4.300 -4.555 -4.948 -5.019 -5.085 -5.145 -5.197 -5.241 -5.277 -5.304 -5.324 -5.339 -5.352 -5.367 -5.386 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.139 1.224 0.403 -0.311 -0.931 -1.472 -1.949 -2.373 -2.756 -3.105 -3.427 -3.725 -4.003 -4.264 -4.512 -4.918 -4.992 -5.061 -5.125 -5.183 -5.235 -5.281 -5.319 -5.351 -5.377 -5.399 -5.418 -5.437 -5.457 -5.478 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.158 1.243 0.423 -0.291 -0.911 -1.452 -1.928 -2.352 -2.734 -3.082 -3.401 -3.698 -3.973 -4.231 -4.473 -4.888 -4.963 -5.034 -5.101 -5.163 -5.221 -5.273 -5.319 -5.360 -5.395 -5.425 -5.452 -5.475 -5.497 -5.517 -5.537 99999.999 99999.999 99999.999 99999.999 99999.999 2.177 1.263 0.442 -0.272 -0.892 -1.433 -1.908 -2.332 -2.712 -3.059 -3.377 -3.671 -3.945 -4.200 -4.438 -4.857 -4.932 -5.005 -5.074 -5.139 -5.200 -5.257 -5.309 -5.356 -5.398 -5.436 -5.469 -5.498 -5.524 -5.548 -5.569 -5.588 -5.604 99999.999 99999.999 99999.999 2.195 1.281 0.460 -0.254 -0.873 -1.414 -1.889 -2.311 -2.691 -3.036 -3.353 -3.645 -3.917 -4.170 -4.405 -4.825 -4.901 -4.975 -5.045 -5.112 -5.176 -5.236 -5.292 -5.344 -5.391 -5.434 -5.473 -5.508 -5.539 -5.567 -5.592 -5.613 -5.632 -5.647 99999.999 99999.999 2.213 1.299 0.479 -0.236 -0.855 -1.395 -1.870 -2.292 -2.670 -3.014 -3.329 -3.620 -3.890 -4.141 -4.375 -4.794 -4.870 -4.944 -5.015 -5.084 -5.149 -5.211 -5.270 -5.325 -5.377 -5.424 -5.468 -5.508 -5.544 -5.576 -5.605 -5.631 -5.652 -5.670 -5.685 -5.694 2.230 1.317 0.496 -0.218 -0.837 -1.377 -1.851 -2.272 -2.650 -2.993 -3.306 -3.596 -3.864 -4.113 -4.345 -4.763 -4.839 -4.914 -4.985 -5.054 -5.121 -5.184 -5.245 -5.303 -5.357 -5.408 -5.456 -5.500 -5.540 -5.577 -5.610 -5.639 -5.665 -5.687 -5.705 -5.719 2.363 1.466 0.651 -0.061 -0.677 -1.213 -1.683 -2.097 -2.466 -2.798 -3.100 -3.376 -3.629 -3.864 -4.082 -4.475 -4.547 -4.618 -4.687 -4.755 -4.821 -4.886 -4.949 -5.011 -5.072 -5.131 -5.189 -5.245 -5.300 -5.353 -5.405 -5.456 -5.504 -5.551 -5.596 -5.639 2.445 1.575 0.770 0.065 -0.547 -1.079 -1.543 -1.951 -2.313 -2.636 -2.927 -3.192 -3.434 -3.657 -3.862 -4.230 -4.297 -4.363 -4.428 -4.491 -4.552 -4.612 -4.671 -4.729 -4.786 -4.841 -4.896 -4.950 -5.002 -5.054 -5.105 -5.156 -5.205 -5.254 -5.301 -5.348 2.486 1.650 0.860 0.164 -0.442 -0.967 -1.426 -1.828 -2.183 -2.499 -2.782 -3.037 -3.269 -3.481 -3.676 -4.021 -4.085 -4.146 -4.206 -4.264 -4.321 -4.377 -4.431 -4.484 -4.537 -4.588 -4.638 -4.687 -4.736 -4.783 -4.830 -4.877 -4.923 -4.968 -5.012 -5.057 2.492 1.698 0.927 0.241 -0.356 -0.876 -1.328 -1.724 -2.073 -2.382 -2.657 -2.904 -3.128 -3.331 -3.516 -3.842 -3.902 -3.959 -4.015 -4.069 -4.122 -4.174 -4.224 -4.273 -4.321 -4.368 -4.414 -4.459 -4.504 -4.547 -4.590 -4.633 -4.674 -4.715 -4.756 -4.796 2.469 1.722 0.973 0.300 -0.288 -0.800 -1.247 -1.636 -1.979 -2.281 -2.550 -2.790 -3.006 -3.201 -3.378 -3.687 -3.743 -3.797 -3.849 -3.900 -3.950 -3.998 -4.044 -4.090 -4.134 -4.178 -4.220 -4.262 -4.302 -4.342 -4.381 -4.420 -4.457 -4.495 -4.532 -4.568 2.423 1.727 1.001 0.343 -0.235 -0.739 -1.179 -1.562 -1.899 -2.195 -2.458 -2.691 -2.900 -3.088 -3.257 -3.552 -3.604 -3.655 -3.705 -3.752 -3.799 -3.844 -3.887 -3.930 -3.971 -4.011 -4.050 -4.088 -4.126 -4.162 -4.198 -4.233 -4.268 -4.302 -4.335 -4.368 2.356 1.714 1.015 0.372 -0.195 -0.691 -1.123 -1.500 -1.831 -2.121 -2.378 -2.605 -2.808 -2.989 -3.152 -3.433 -3.483 -3.531 -3.577 -3.622 -3.666 -3.708 -3.749 -3.788 -3.827 -3.864 -3.900 -3.936 -3.970 -4.004 -4.037 -4.069 -4.101 -4.132 -4.162 -4.192 99999.999 1.686 1.015 0.389 -0.167 -0.653 -1.078 -1.449 -1.773 -2.058 -2.309 -2.531 -2.727 -2.902 -3.059 -3.328 -3.375 -3.421 -3.465 -3.508 -3.549 -3.588 -3.627 -3.664 -3.700 -3.734 -3.768 -3.801 -3.833 -3.864 -3.895 -3.924 -3.953 -3.982 -4.010 -4.037 spinel MgAl2O4 P-T:All Wt.(g/mol) = 142.270 V(cc/mol) = 39.780 D(g/cc) = 3.576 Ref: H&P2011 4 1.000 10 2.000 8 4.000 2 -8.000 1 39.779 33.888 28.869 24.556 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.779 33.888 28.869 24.556 20.805 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.781 33.890 28.871 24.558 20.807 17.502 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.784 33.894 28.874 24.561 20.810 17.505 14.554 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.790 33.899 28.880 24.567 20.816 17.511 14.560 11.891 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.800 33.909 28.889 24.576 20.825 17.520 14.570 11.901 9.457 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.814 33.923 28.902 24.589 20.838 17.533 14.583 11.916 9.473 7.201 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.834 33.942 28.921 24.607 20.856 17.552 14.603 11.937 9.496 7.227 5.076 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.862 33.969 28.947 24.633 20.882 17.578 14.630 11.966 9.527 7.262 5.118 3.045 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.898 34.005 28.982 24.667 20.916 17.613 14.666 12.004 9.569 7.309 5.173 3.112 1.111 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 39.946 34.051 29.027 24.711 20.960 17.658 14.713 12.053 9.623 7.369 5.244 3.200 1.213 -0.631 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.006 34.110 29.085 24.768 21.016 17.714 14.772 12.116 9.690 7.445 5.333 3.311 1.348 -0.536 -1.888 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.051 34.155 29.129 24.811 21.059 17.758 14.817 12.164 9.742 7.503 5.401 3.395 1.453 -0.430 -2.190 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.116 34.219 29.191 24.872 21.119 17.819 14.881 12.231 9.815 7.584 5.496 3.512 1.603 -0.257 -2.180 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.178 34.281 29.252 24.932 21.179 17.879 14.943 12.297 9.886 7.663 5.588 3.625 1.748 -0.075 -2.002 11.178 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.240 34.342 29.311 24.990 21.237 17.939 15.004 12.361 9.955 7.739 5.676 3.734 1.888 0.107 -1.768 2.155 6.009 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.299 34.402 29.370 25.048 21.294 17.996 15.064 12.424 10.023 7.814 5.762 3.838 2.021 0.282 -1.518 0.004 1.354 3.786 7.369 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.358 34.461 29.428 25.104 21.351 18.053 15.122 12.486 10.089 7.886 5.845 3.938 2.147 0.448 -1.273 -0.946 -0.382 0.673 2.377 4.725 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.415 34.518 29.484 25.160 21.406 18.109 15.180 12.546 10.153 7.957 5.925 4.033 2.265 0.603 -1.043 -1.466 -1.258 -0.776 0.062 1.324 2.983 4.864 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.471 34.575 29.540 25.215 21.460 18.164 15.236 12.606 10.217 8.026 6.002 4.124 2.376 0.747 -0.832 -1.778 -1.766 -1.580 -1.174 -0.502 0.462 1.692 3.090 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.525 34.630 29.594 25.268 21.514 18.218 15.291 12.664 10.278 8.093 6.077 4.211 2.480 0.878 -0.644 -1.973 -2.082 -2.071 -1.911 -1.572 -1.031 -0.279 0.662 1.733 2.848 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.578 34.685 29.648 25.321 21.566 18.271 15.346 12.720 10.339 8.159 6.150 4.293 2.578 0.997 -0.478 -2.095 -2.286 -2.387 -2.380 -2.247 -1.969 -1.532 -0.937 -0.201 0.638 1.531 2.428 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.630 34.738 29.701 25.373 21.618 18.323 15.399 12.776 10.398 8.223 6.221 4.372 2.669 1.105 -0.334 -2.170 -2.418 -2.596 -2.692 -2.694 -2.587 -2.361 -2.009 -1.534 -0.949 -0.279 0.446 1.196 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.681 34.790 29.753 25.424 21.669 18.374 15.452 12.831 10.456 8.286 6.289 4.448 2.753 1.203 -0.212 -2.211 -2.501 -2.735 -2.903 -2.998 -3.009 -2.928 -2.748 -2.465 -2.084 -1.614 -1.070 -0.473 0.158 0.809 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 40.731 34.842 29.804 25.475 21.719 18.424 15.503 12.885 10.513 8.347 6.355 4.520 2.833 1.291 -0.108 -2.229 -2.551 -2.825 -3.046 -3.208 -3.304 -3.326 -3.269 -3.128 -2.903 -2.596 -2.214 -1.769 -1.272 -0.736 -0.171 99999.999 99999.999 99999.999 99999.999 99999.999 40.779 34.892 29.854 25.524 21.768 18.474 15.554 12.938 10.569 8.407 6.420 4.590 2.908 1.371 -0.019 -2.229 -2.575 -2.881 -3.142 -3.354 -3.512 -3.610 -3.643 -3.608 -3.501 -3.323 -3.076 -2.765 -2.397 -1.980 -1.522 -1.029 -0.504 99999.999 99999.999 99999.999 40.827 34.942 29.903 25.573 21.816 18.523 15.604 12.990 10.624 8.465 6.483 4.657 2.979 1.445 0.056 -2.216 -2.581 -2.911 -3.203 -3.454 -3.658 -3.813 -3.915 -3.959 -3.943 -3.866 -3.727 -3.529 -3.275 -2.969 -2.617 -2.224 -1.793 -1.327 99999.999 99999.999 40.874 34.991 29.952 25.621 21.864 18.571 15.653 13.041 10.678 8.523 6.544 4.722 3.047 1.514 0.124 -2.193 -2.573 -2.923 -3.239 -3.519 -3.760 -3.959 -4.113 -4.218 -4.273 -4.275 -4.223 -4.117 -3.960 -3.752 -3.498 -3.199 -2.861 -2.484 -2.071 -1.622 40.919 35.039 30.000 25.669 21.911 18.618 15.701 13.091 10.731 8.579 6.604 4.786 3.113 1.580 0.186 -2.162 -2.555 -2.920 -3.255 -3.559 -3.829 -4.062 -4.257 -4.410 -4.520 -4.584 -4.602 -4.572 -4.495 -4.371 -4.202 -3.990 -3.738 -3.446 -3.117 -2.752 41.324 35.478 30.442 26.107 22.347 19.056 16.147 13.551 11.214 9.091 7.150 5.364 3.718 2.200 0.801 -1.666 -2.109 -2.537 -2.949 -3.345 -3.725 -4.091 -4.441 -4.775 -5.094 -5.397 -5.685 -5.956 -6.210 -6.448 -6.669 -6.873 -7.059 -7.227 -7.378 -7.511 41.653 35.854 30.827 26.493 22.732 19.441 16.537 13.952 11.631 9.530 7.614 5.857 4.238 2.743 1.361 -1.104 -1.553 -1.990 -2.414 -2.825 -3.225 -3.613 -3.990 -4.357 -4.713 -5.059 -5.396 -5.724 -6.042 -6.351 -6.652 -6.944 -7.228 -7.503 -7.771 -8.031 41.921 36.181 31.169 26.837 23.076 19.786 16.885 14.307 11.997 9.912 8.017 6.284 4.690 3.219 1.857 -0.577 -1.023 -1.457 -1.879 -2.290 -2.690 -3.080 -3.460 -3.831 -4.193 -4.547 -4.893 -5.231 -5.563 -5.887 -6.205 -6.517 -6.823 -7.124 -7.419 -7.710 42.142 36.468 31.475 27.148 23.388 20.098 17.200 14.626 12.325 10.253 8.374 6.660 5.087 3.637 2.297 -0.101 -0.541 -0.969 -1.385 -1.791 -2.186 -2.572 -2.949 -3.316 -3.675 -4.027 -4.371 -4.708 -5.039 -5.363 -5.681 -5.995 -6.303 -6.606 -6.905 -7.200 42.325 36.723 31.752 27.431 23.673 20.385 17.488 14.918 12.623 10.560 8.694 6.995 5.440 4.009 2.689 0.327 -0.106 -0.527 -0.937 -1.337 -1.726 -2.106 -2.476 -2.838 -3.192 -3.538 -3.877 -4.209 -4.535 -4.854 -5.168 -5.477 -5.781 -6.080 -6.375 -6.667 42.477 36.953 32.005 27.692 23.937 20.650 17.755 15.188 12.897 10.841 8.985 7.298 5.758 4.344 3.040 0.713 0.286 -0.129 -0.532 -0.925 -1.308 -1.682 -2.046 -2.402 -2.750 -3.090 -3.423 -3.749 -4.068 -4.382 -4.690 -4.993 -5.291 -5.584 -5.873 -6.158 42.604 37.162 32.238 27.935 24.183 20.897 18.003 15.438 13.151 11.101 9.252 7.575 6.047 4.646 3.357 1.061 0.641 0.232 -0.165 -0.552 -0.929 -1.297 -1.655 -2.005 -2.347 -2.681 -3.008 -3.328 -3.642 -3.949 -4.252 -4.548 -4.840 -5.127 -5.410 -5.689 99999.999 37.355 32.456 28.161 24.413 21.129 18.236 15.673 13.389 11.343 9.499 7.831 6.312 4.923 3.647 1.378 0.963 0.560 0.168 -0.213 -0.585 -0.947 -1.300 -1.644 -1.981 -2.309 -2.631 -2.945 -3.253 -3.555 -3.852 -4.143 -4.429 -4.710 -4.988 -5.261 spurrite Ca5Si2CO11 P-T:All Wt.(g/mol) = 444.580 V(cc/mol) = 146.970 D(g/cc) = 3.025 Ref: H&P2011 4 -9.000 1 5.000 9 2.000 7 1.000 5 84.106 76.557 70.021 64.354 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.106 76.558 70.021 64.354 59.398 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.109 76.560 70.023 64.357 59.401 55.018 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.114 76.565 70.028 64.361 59.405 55.022 51.100 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.123 76.573 70.035 64.368 59.412 55.029 51.108 47.555 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.136 76.585 70.047 64.380 59.423 55.041 51.120 47.568 44.309 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.157 76.604 70.065 64.397 59.441 55.058 51.138 47.587 44.330 41.296 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.187 76.631 70.091 64.422 59.465 55.083 51.163 47.614 44.360 41.330 38.449 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.227 76.668 70.126 64.456 59.498 55.117 51.198 47.652 44.401 41.376 38.504 35.708 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.280 76.717 70.172 64.501 59.543 55.162 51.245 47.701 44.454 41.437 38.577 35.800 33.031 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.347 76.780 70.232 64.558 59.600 55.219 51.305 47.764 44.523 41.515 38.670 35.918 33.186 30.413 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.433 76.859 70.307 64.631 59.672 55.292 51.380 47.844 44.610 41.613 38.786 36.064 33.379 30.651 27.847 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.497 76.919 70.364 64.686 59.727 55.348 51.437 47.905 44.676 41.687 38.873 36.174 33.523 30.840 27.938 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.587 77.003 70.444 64.764 59.803 55.425 51.518 47.990 44.769 41.790 38.995 36.325 33.723 31.107 28.245 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.673 77.084 70.521 64.840 59.878 55.501 51.596 48.073 44.858 41.890 39.112 36.470 33.912 31.364 28.601 31.857 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.757 77.163 70.597 64.913 59.951 55.575 51.672 48.154 44.945 41.987 39.224 36.608 34.090 31.607 28.957 28.273 29.261 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.837 77.239 70.670 64.985 60.022 55.647 51.746 48.232 45.030 42.081 39.332 36.740 34.259 31.835 29.297 27.497 27.489 27.876 28.490 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.915 77.313 70.741 65.054 60.091 55.716 51.819 48.308 45.112 42.171 39.436 36.865 34.418 32.047 29.614 27.241 26.911 26.775 26.859 27.069 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 84.989 77.384 70.810 65.122 60.159 55.785 51.889 48.382 45.192 42.259 39.537 36.984 34.567 32.245 29.905 27.165 26.693 26.333 26.106 26.014 25.994 25.907 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.061 77.454 70.878 65.188 60.224 55.851 51.958 48.455 45.270 42.345 39.634 37.099 34.708 32.427 30.169 27.170 26.625 26.152 25.765 25.474 25.269 25.110 24.921 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.130 77.521 70.943 65.252 60.288 55.916 52.025 48.525 45.345 42.428 39.727 37.207 34.840 32.594 30.406 27.218 26.630 26.094 25.618 25.209 24.871 24.592 24.345 24.087 23.768 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.197 77.586 71.007 65.314 60.350 55.979 52.090 48.594 45.419 42.508 39.817 37.311 34.963 32.748 30.618 27.290 26.676 26.101 25.571 25.092 24.667 24.294 23.965 23.662 23.358 23.025 22.643 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.262 77.650 71.068 65.375 60.411 56.040 52.153 48.660 45.490 42.586 39.904 37.410 35.080 32.890 30.805 27.376 26.745 26.146 25.582 25.058 24.577 24.139 23.742 23.380 23.040 22.706 22.363 21.998 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.323 77.711 71.128 65.434 60.470 56.100 52.215 48.726 45.560 42.662 39.988 37.505 35.189 33.019 30.970 27.471 26.828 26.213 25.628 25.074 24.555 24.072 23.625 23.213 22.828 22.465 22.114 21.764 21.411 21.052 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 85.383 77.770 71.187 65.492 60.528 56.159 52.276 48.789 45.628 42.736 40.070 37.596 35.292 33.138 31.116 27.571 26.921 26.295 25.695 25.121 24.577 24.063 23.580 23.128 22.704 22.307 21.930 21.568 21.216 20.872 20.534 99999.999 99999.999 99999.999 99999.999 99999.999 85.440 77.828 71.243 65.548 60.584 56.216 52.335 48.851 45.695 42.808 40.149 37.684 35.390 33.248 31.244 27.673 27.018 26.385 25.775 25.189 24.627 24.091 23.582 23.100 22.645 22.217 21.811 21.427 21.060 20.709 20.372 20.049 19.744 99999.999 99999.999 99999.999 85.495 77.884 71.299 65.603 60.639 56.272 52.392 48.912 45.760 42.879 40.226 37.768 35.482 33.351 31.360 27.777 27.119 26.482 25.865 25.269 24.695 24.143 23.616 23.112 22.633 22.179 21.748 21.339 20.952 20.584 20.235 19.904 19.594 19.305 99999.999 99999.999 85.548 77.938 71.352 65.656 60.692 56.326 52.449 48.971 45.823 42.947 40.300 37.850 35.571 33.448 31.465 27.881 27.222 26.581 25.960 25.357 24.775 24.213 23.672 23.152 22.655 22.180 21.727 21.297 20.888 20.501 20.134 19.788 19.464 19.163 18.886 18.636 85.599 77.990 71.404 65.708 60.744 56.379 52.503 49.029 45.884 43.014 40.373 37.929 35.657 33.540 31.564 27.985 27.325 26.683 26.058 25.452 24.864 24.294 23.743 23.211 22.700 22.209 21.739 21.290 20.862 20.456 20.070 19.707 19.365 19.047 18.753 18.484 86.002 78.429 71.852 66.159 61.201 56.846 52.987 49.538 46.428 43.600 41.010 38.622 36.410 34.353 32.434 28.950 28.302 27.670 27.051 26.446 25.854 25.274 24.706 24.150 23.605 23.071 22.548 22.037 21.536 21.047 20.569 20.103 19.648 19.206 18.777 18.361 86.244 78.738 72.185 66.506 61.558 57.216 53.373 49.946 46.863 44.069 41.519 39.177 37.013 35.006 33.138 29.753 29.125 28.512 27.912 27.325 26.751 26.189 25.637 25.096 24.566 24.044 23.532 23.029 22.535 22.048 21.570 21.099 20.636 20.180 19.732 19.291 86.359 78.944 72.429 66.769 61.837 57.509 53.683 50.275 47.216 44.450 41.934 39.628 37.505 35.540 33.715 30.419 29.809 29.214 28.632 28.064 27.508 26.963 26.430 25.908 25.395 24.892 24.398 23.912 23.434 22.964 22.502 22.046 21.596 21.153 20.716 20.284 86.372 79.066 72.598 66.965 62.052 57.741 53.931 50.541 47.503 44.762 42.274 40.000 37.911 35.983 34.195 30.976 30.382 29.802 29.237 28.684 28.144 27.617 27.100 26.594 26.098 25.612 25.135 24.666 24.206 23.753 23.307 22.868 22.435 22.009 21.588 21.172 86.300 79.119 72.705 67.105 62.214 57.921 54.129 50.757 47.738 45.019 42.555 40.309 38.249 36.352 34.597 31.446 30.865 30.300 29.748 29.210 28.684 28.171 27.669 27.177 26.696 26.225 25.763 25.309 24.864 24.426 23.996 23.573 23.156 22.745 22.340 21.940 86.159 79.115 72.762 67.196 62.331 58.058 54.284 50.930 47.929 45.230 42.788 40.565 38.532 36.663 34.937 31.845 31.277 30.723 30.184 29.658 29.145 28.644 28.155 27.676 27.208 26.749 26.300 25.860 25.428 25.004 24.587 24.177 23.774 23.377 22.986 22.601 85.959 79.062 72.774 67.248 62.410 58.159 54.404 51.067 48.084 45.403 42.981 40.780 38.770 36.925 35.224 32.186 31.628 31.086 30.557 30.042 29.540 29.050 28.572 28.105 27.648 27.201 26.763 26.334 25.914 25.501 25.096 24.698 24.307 23.922 23.543 23.169 99999.999 78.968 72.749 67.264 62.455 58.228 54.492 51.173 48.208 45.545 43.140 40.958 38.969 37.146 35.468 32.477 31.930 31.397 30.878 30.373 29.881 29.401 28.932 28.475 28.027 27.590 27.163 26.744 26.333 25.931 25.536 25.148 24.767 24.392 24.024 23.661 staurolite-Fe Fe4Al18Si7.5O48H4 P-T:All Wt.(g/mol) = 1691.690 V(cc/mol) = 448.800 D(g/cc) = 3.769 Ref: H&P2011 5 4.000 11 18.000 8 7.500 7 18.000 2 -62.000 1 189.323 153.791 123.016 96.363 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 189.323 153.791 123.017 96.363 73.054 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 189.337 153.805 123.031 96.378 73.069 52.427 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 189.363 153.833 123.058 96.405 73.097 52.455 33.917 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 189.407 153.879 123.105 96.451 73.143 52.503 33.967 17.085 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 189.477 153.952 123.178 96.525 73.217 52.578 34.046 17.170 1.585 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 189.581 154.061 123.288 96.634 73.328 52.692 34.165 17.296 1.723 -12.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 189.729 154.217 123.444 96.790 73.485 52.853 34.334 17.477 1.920 -12.685 -26.715 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 189.931 154.430 123.658 97.004 73.701 53.074 34.565 17.724 2.189 -12.384 -26.361 -40.089 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 190.197 154.712 123.942 97.288 73.987 53.367 34.871 18.050 2.544 -11.985 -25.892 -39.518 -52.963 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 190.537 155.074 124.307 97.653 74.355 53.745 35.266 18.471 3.001 -11.473 -25.291 -38.780 -52.103 -64.579 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 190.964 155.530 124.768 98.115 74.821 54.223 35.765 19.003 3.578 -10.827 -24.533 -37.846 -50.968 -63.738 -72.635 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 191.285 155.876 125.118 98.467 75.177 54.586 36.145 19.407 4.017 -10.338 -23.961 -37.139 -50.086 -62.840 -74.905 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 191.732 156.361 125.611 98.961 75.676 55.098 36.679 19.975 4.632 -9.654 -23.162 -36.154 -48.836 -61.388 -74.699 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 192.162 156.831 126.089 99.442 76.163 55.597 37.199 20.527 5.229 -8.990 -22.390 -35.206 -47.625 -59.871 -73.187 33.663 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 192.575 157.287 126.555 99.912 76.637 56.083 37.706 21.065 5.810 -8.346 -21.646 -34.297 -46.464 -58.366 -71.241 -37.217 -6.365 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 192.972 157.729 127.009 100.369 77.101 56.558 38.201 21.590 6.376 -7.721 -20.927 -33.426 -45.358 -56.913 -69.186 -53.987 -42.833 -23.194 5.488 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 193.353 158.158 127.450 100.815 77.552 57.021 38.683 22.101 6.926 -7.114 -20.234 -32.595 -44.312 -55.539 -67.175 -61.335 -56.350 -47.527 -33.632 -14.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 193.720 158.575 127.880 101.250 77.993 57.472 39.153 22.599 7.463 -6.525 -19.565 -31.802 -43.327 -54.255 -65.285 -65.311 -63.112 -58.793 -51.691 -41.293 -27.783 -12.543 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 194.072 158.979 128.298 101.674 78.424 57.914 39.612 23.085 7.985 -5.952 -18.920 -31.046 -42.403 -53.069 -63.555 -67.666 -66.998 -64.992 -61.282 -55.503 -47.453 -37.334 -25.911 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 194.410 159.370 128.706 102.088 78.844 58.345 40.061 23.559 8.495 -5.395 -18.297 -30.325 -41.539 -51.983 -62.005 -69.110 -69.389 -68.743 -66.956 -63.792 -59.057 -52.684 -44.848 -36.010 -26.827 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 194.734 159.751 129.103 102.492 79.254 58.766 40.499 24.022 8.991 -4.854 -17.695 -29.638 -40.731 -50.993 -60.640 -69.991 -70.901 -71.131 -70.542 -68.982 -66.303 -62.404 -57.279 -51.064 -44.052 -36.634 -29.193 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 195.045 160.120 129.489 102.886 79.655 59.177 40.927 24.474 9.476 -4.327 -17.113 -28.983 -39.977 -50.097 -59.454 -70.500 -71.855 -72.684 -72.895 -72.386 -71.050 -68.798 -65.579 -61.407 -56.390 -50.715 -44.622 -38.349 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 195.343 160.478 129.866 103.271 80.047 59.579 41.345 24.916 9.949 -3.814 -16.550 -28.358 -39.273 -49.286 -58.436 -70.754 -72.433 -73.691 -74.465 -74.681 -74.265 -73.145 -71.265 -68.601 -65.177 -61.069 -56.402 -51.326 -45.988 -40.504 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 195.628 160.825 130.233 103.647 80.430 59.972 41.754 25.348 10.411 -3.314 -16.005 -27.760 -38.613 -48.553 -57.569 -70.825 -72.749 -74.325 -75.508 -76.247 -76.486 -76.170 -75.250 -73.693 -71.489 -68.660 -65.260 -61.372 -57.091 -52.510 -47.700 99999.999 99999.999 99999.999 99999.999 99999.999 195.901 161.162 130.591 104.014 80.804 60.356 42.153 25.769 10.862 -2.827 -15.476 -27.186 -37.992 -47.885 -56.829 -70.763 -72.874 -74.692 -76.184 -77.310 -78.031 -78.304 -78.089 -77.354 -76.076 -74.254 -71.905 -69.067 -65.795 -62.149 -58.188 -53.956 -49.481 99999.999 99999.999 99999.999 196.163 161.489 130.939 104.372 81.170 60.732 42.544 26.182 11.303 -2.352 -14.962 -26.633 -37.404 -47.270 -56.191 -70.600 -72.860 -74.866 -76.593 -78.015 -79.100 -79.816 -80.131 -80.015 -79.446 -78.411 -76.908 -74.953 -72.569 -69.794 -66.665 -63.219 -59.485 -55.479 99999.999 99999.999 196.412 161.806 131.279 104.722 81.528 61.100 42.927 26.585 11.734 -1.888 -14.463 -26.098 -36.841 -46.694 -55.623 -70.363 -72.739 -74.894 -76.807 -78.458 -79.824 -80.880 -81.600 -81.960 -81.939 -81.520 -80.694 -79.462 -77.832 -75.823 -73.456 -70.757 -67.747 -64.446 -60.863 -57.001 196.651 162.114 131.610 105.064 81.878 61.460 43.301 26.980 12.155 -1.435 -13.975 -25.578 -36.297 -46.143 -55.092 -70.067 -72.538 -74.811 -76.872 -78.704 -80.291 -81.613 -82.649 -83.381 -83.788 -83.855 -83.570 -82.926 -81.924 -80.569 -78.872 -76.848 -74.512 -71.880 -68.961 -65.762 198.480 164.723 134.497 108.082 84.988 64.669 46.642 30.499 15.907 2.597 -9.634 -20.931 -31.388 -41.067 -50.008 -65.798 -68.636 -71.370 -74.002 -76.532 -78.959 -81.285 -83.508 -85.627 -87.640 -89.546 -91.342 -93.026 -94.595 -96.046 -97.377 -98.583 -99.665 -100.618 -101.442 -102.137 199.452 166.612 136.735 110.492 87.511 67.294 49.382 33.385 18.978 5.893 -6.082 -17.109 -27.305 -36.753 -45.516 -61.195 -64.063 -66.847 -69.553 -72.182 -74.737 -77.222 -79.637 -81.986 -84.271 -86.493 -88.655 -90.757 -92.802 -94.790 -96.722 -98.600 -100.424 -102.196 -103.917 -105.587 199.750 167.929 138.458 112.420 89.570 69.460 51.658 35.788 21.534 8.634 -3.128 -13.923 -23.880 -33.098 -41.651 -57.010 -59.833 -62.580 -65.256 -67.863 -70.405 -72.885 -75.307 -77.673 -79.986 -82.249 -84.464 -86.635 -88.763 -90.851 -92.902 -94.917 -96.899 -98.850 -100.771 -102.666 199.506 168.786 139.763 113.958 91.256 71.260 53.565 37.809 23.687 10.942 -0.640 -11.235 -20.981 -29.985 -38.333 -53.325 -56.082 -58.768 -61.385 -63.938 -66.428 -68.860 -71.236 -73.561 -75.836 -78.065 -80.251 -82.397 -84.505 -86.578 -88.618 -90.629 -92.612 -94.569 -96.504 -98.417 198.825 169.266 140.724 115.174 92.634 72.759 55.170 39.522 25.517 12.905 1.476 -8.946 -18.506 -27.319 -35.474 -50.102 -52.791 -55.410 -57.962 -60.451 -62.879 -65.250 -67.567 -69.834 -72.052 -74.226 -76.358 -78.451 -80.508 -82.531 -84.522 -86.485 -88.422 -90.335 -92.226 -94.097 197.782 169.437 141.398 116.120 93.754 74.007 56.526 40.981 27.083 14.589 3.292 -6.982 -16.379 -25.020 -33.001 -47.285 -49.908 -52.461 -54.949 -57.373 -59.739 -62.048 -64.303 -66.509 -68.667 -70.781 -72.853 -74.887 -76.884 -78.848 -80.781 -82.686 -84.564 -86.418 -88.250 -90.062 196.438 169.349 141.831 116.836 94.655 75.042 57.671 42.226 28.429 16.042 4.861 -5.284 -14.540 -23.028 -30.851 -44.818 -47.379 -49.870 -52.297 -54.661 -56.966 -59.215 -61.411 -63.558 -65.657 -67.713 -69.727 -71.702 -73.641 -75.547 -77.421 -79.267 -81.086 -82.880 -84.653 -86.405 99999.999 169.045 142.060 117.357 95.368 75.896 58.636 43.291 29.590 17.301 6.225 -3.807 -12.939 -21.293 -28.975 -42.652 -45.156 -47.590 -49.960 -52.267 -54.516 -56.710 -58.850 -60.942 -62.986 -64.987 -66.947 -68.867 -70.752 -72.603 -74.422 -76.213 -77.977 -79.716 -81.433 -83.129 staurolite-Mg Mg4Al18Si7.5O48H4 P-T:All Wt.(g/mol) = 1565.530 V(cc/mol) = 442.600 D(g/cc) = 3.537 Ref: H&P2011 5 4.000 10 18.000 8 7.500 7 18.000 2 -62.000 1 211.899 174.338 141.869 113.789 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 211.899 174.338 141.870 113.789 89.265 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 211.912 174.352 141.884 113.803 89.280 67.594 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 211.938 174.379 141.911 113.830 89.307 67.622 48.180 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 211.982 174.425 141.956 113.876 89.353 67.669 48.230 30.559 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 212.051 174.497 142.029 113.948 89.426 67.744 48.309 30.643 14.365 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 212.153 174.605 142.137 114.056 89.536 67.857 48.426 30.769 14.502 -0.741 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 212.300 174.759 142.292 114.211 89.691 68.016 48.594 30.948 14.698 -0.521 -15.099 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 212.499 174.969 142.503 114.422 89.904 68.235 48.823 31.193 14.965 -0.221 -14.745 -28.964 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 212.761 175.246 142.782 114.701 90.187 68.525 49.126 31.517 15.318 0.176 -14.277 -28.393 -42.276 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 213.097 175.603 143.142 115.061 90.550 68.898 49.517 31.935 15.773 0.686 -13.677 -27.655 -41.417 -54.273 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 213.518 176.053 143.596 115.517 91.011 69.371 50.012 32.463 16.347 1.329 -12.921 -26.722 -40.282 -53.438 -62.616 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 213.834 176.394 143.942 115.864 91.362 69.731 50.388 32.864 16.783 1.816 -12.350 -26.015 -39.399 -52.543 -64.934 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 214.275 176.871 144.427 116.352 91.855 70.237 50.917 33.427 17.394 2.498 -11.553 -25.030 -38.149 -51.091 -64.750 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 214.698 177.334 144.899 116.827 92.335 70.730 51.432 33.975 17.987 3.159 -10.784 -24.083 -36.937 -49.572 -63.242 44.603 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 215.105 177.783 145.358 117.289 92.804 71.210 51.934 34.509 18.565 3.800 -10.041 -23.175 -35.774 -48.063 -61.293 -27.219 3.981 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 215.496 178.219 145.804 117.740 93.261 71.679 52.423 35.029 19.127 4.422 -9.325 -22.305 -34.668 -46.608 -59.233 -44.216 -32.975 -13.130 15.900 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 215.871 178.641 146.239 118.180 93.707 72.137 52.900 35.535 19.673 5.026 -8.634 -21.475 -33.621 -45.231 -57.216 -51.672 -46.680 -37.795 -23.766 -4.608 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 216.232 179.050 146.662 118.608 94.141 72.583 53.366 36.029 20.206 5.612 -7.967 -20.683 -32.636 -43.945 -55.319 -55.712 -53.542 -49.221 -42.076 -31.585 -17.932 -2.508 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 216.578 179.447 147.073 119.026 94.566 73.019 53.820 36.511 20.725 6.181 -7.324 -19.928 -31.712 -42.757 -53.584 -58.110 -57.492 -55.514 -51.806 -45.998 -37.883 -27.664 -16.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 216.910 179.832 147.474 119.433 94.980 73.444 54.264 36.981 21.230 6.735 -6.703 -19.209 -30.847 -41.669 -52.030 -59.585 -59.926 -59.327 -57.567 -54.410 -49.655 -43.237 -35.329 -26.399 -17.109 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 217.228 180.206 147.864 119.831 95.385 73.860 54.697 37.439 21.723 7.273 -6.104 -18.524 -30.041 -40.680 -50.661 -60.490 -61.470 -61.758 -61.212 -59.680 -57.011 -53.102 -47.944 -41.679 -34.599 -27.100 -19.572 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 217.533 180.568 148.244 120.219 95.780 74.265 55.120 37.887 22.204 7.797 -5.524 -17.871 -29.288 -39.783 -49.474 -61.018 -62.448 -63.343 -63.609 -63.141 -61.834 -59.594 -56.370 -52.178 -47.124 -41.398 -35.245 -28.902 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 217.826 180.920 148.615 120.597 96.166 74.662 55.533 38.324 22.673 8.307 -4.964 -17.247 -28.585 -38.974 -48.455 -61.286 -63.046 -64.376 -65.211 -65.479 -65.103 -64.011 -62.145 -59.483 -56.046 -51.912 -47.207 -42.084 -36.692 -31.147 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 218.106 181.261 148.975 120.967 96.543 75.050 55.937 38.752 23.132 8.803 -4.422 -16.651 -27.927 -38.241 -47.588 -61.369 -63.377 -65.029 -66.280 -67.077 -67.365 -67.088 -66.196 -64.656 -62.456 -59.620 -56.203 -52.287 -47.970 -43.345 -38.486 99999.999 99999.999 99999.999 99999.999 99999.999 218.373 181.591 149.327 121.328 96.911 75.429 56.332 39.169 23.579 9.287 -3.896 -16.079 -27.308 -37.574 -46.850 -61.317 -63.515 -65.413 -66.976 -68.166 -68.943 -69.263 -69.086 -68.378 -67.119 -65.304 -62.953 -60.104 -56.812 -53.138 -49.142 -44.869 -40.349 99999.999 99999.999 99999.999 218.629 181.912 149.669 121.680 97.271 75.799 56.718 39.577 24.016 9.759 -3.385 -15.529 -26.721 -36.962 -46.214 -61.163 -63.511 -65.599 -67.402 -68.892 -70.038 -70.807 -71.166 -71.087 -70.546 -69.530 -68.038 -66.084 -63.694 -60.904 -57.754 -54.281 -50.513 -46.468 99999.999 99999.999 218.874 182.223 150.002 122.024 97.623 76.162 57.096 39.976 24.443 10.220 -2.887 -14.996 -26.161 -36.388 -45.648 -60.932 -63.400 -65.638 -67.629 -69.352 -70.782 -71.896 -72.667 -73.070 -73.085 -72.693 -71.887 -70.667 -69.042 -67.030 -64.654 -61.939 -58.908 -55.579 -51.963 -48.064 219.107 182.525 150.327 122.359 97.968 76.517 57.465 40.366 24.861 10.670 -2.402 -14.478 -25.619 -35.839 -45.120 -60.644 -63.206 -65.565 -67.706 -69.612 -71.267 -72.650 -73.742 -74.521 -74.970 -75.072 -74.814 -74.191 -73.202 -71.854 -70.158 -68.128 -65.781 -63.131 -60.190 -56.964 220.884 185.074 153.154 125.320 101.024 79.675 60.759 43.844 28.575 14.669 1.910 -9.855 -20.731 -30.782 -40.057 -56.410 -59.345 -62.173 -64.893 -67.507 -70.015 -72.417 -74.712 -76.900 -78.978 -80.945 -82.799 -84.537 -86.156 -87.654 -89.028 -90.275 -91.394 -92.381 -93.236 -93.958 221.810 186.907 155.335 127.675 103.494 82.251 63.454 46.689 31.609 17.933 5.434 -6.058 -16.668 -26.487 -35.581 -51.824 -54.790 -57.669 -60.465 -63.181 -65.819 -68.382 -70.874 -73.295 -75.650 -77.938 -80.163 -82.326 -84.429 -86.472 -88.457 -90.385 -92.258 -94.075 -95.839 -97.551 222.064 188.172 157.004 129.551 105.504 84.372 65.687 49.052 34.129 20.641 8.359 -2.897 -13.265 -22.850 -31.733 -47.652 -50.572 -53.414 -56.180 -58.874 -61.500 -64.060 -66.558 -68.997 -71.380 -73.711 -75.991 -78.224 -80.412 -82.558 -84.664 -86.732 -88.765 -90.764 -92.733 -94.672 221.780 188.978 158.258 131.039 107.142 86.126 67.552 51.034 36.246 22.916 10.818 -0.235 -10.388 -19.757 -28.431 -43.978 -46.834 -49.613 -52.320 -54.959 -57.532 -60.043 -62.496 -64.894 -67.240 -69.537 -71.788 -73.996 -76.164 -78.294 -80.390 -82.454 -84.489 -86.496 -88.478 -90.438 221.060 189.410 159.169 132.206 108.473 87.582 69.117 52.709 38.041 24.847 12.905 2.027 -7.937 -17.111 -25.590 -40.768 -43.555 -46.267 -48.908 -51.482 -53.992 -56.442 -58.835 -61.174 -63.463 -65.704 -67.901 -70.056 -72.172 -74.252 -76.299 -78.315 -80.303 -82.266 -84.204 -86.122 219.980 189.534 159.795 133.105 109.548 88.787 70.433 54.130 39.572 26.499 14.691 3.965 -5.834 -14.833 -23.135 -37.965 -40.684 -43.330 -45.905 -48.415 -50.862 -53.249 -55.579 -57.857 -60.084 -62.265 -64.401 -66.496 -68.553 -70.574 -72.562 -74.519 -76.448 -78.351 -80.230 -82.088 218.601 189.402 160.182 133.776 110.405 89.780 71.538 55.339 40.884 27.920 16.231 5.636 -4.019 -12.863 -21.004 -35.513 -38.169 -40.752 -43.265 -45.713 -48.099 -50.426 -52.696 -54.914 -57.083 -59.204 -61.281 -63.317 -65.315 -67.277 -69.206 -71.103 -72.973 -74.816 -76.635 -78.432 99999.999 189.055 160.365 134.252 111.076 90.592 72.465 56.367 42.011 29.147 17.565 7.086 -2.442 -11.150 -19.148 -33.363 -35.960 -38.485 -40.941 -43.332 -45.661 -47.931 -50.146 -52.308 -54.420 -56.486 -58.508 -60.489 -62.432 -64.338 -66.212 -68.054 -69.868 -71.655 -73.418 -75.158 staurolite-Mn Mn4Al18Si7.5O48H4 P-T:All Wt.(g/mol) = 1688.060 V(cc/mol) = 454.600 D(g/cc) = 3.713 Ref: H&P2011 5 4.000 14 18.000 8 7.500 7 18.000 2 -62.000 1 200.893 164.938 133.830 106.907 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 200.893 164.938 133.830 106.907 83.377 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 200.906 164.952 133.845 106.921 83.391 62.566 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 200.932 164.979 133.871 106.948 83.418 62.593 43.904 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 200.975 165.024 133.916 106.993 83.464 62.640 43.953 26.944 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 201.043 165.096 133.988 107.065 83.536 62.715 44.031 27.028 11.337 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 201.145 165.203 134.096 107.172 83.645 62.826 44.147 27.152 11.474 -3.243 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 201.289 165.355 134.249 107.325 83.799 62.984 44.313 27.330 11.668 -3.025 -17.127 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 201.486 165.563 134.458 107.534 84.010 63.201 44.541 27.573 11.933 -2.727 -16.776 -30.563 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 201.745 165.838 134.735 107.811 84.290 63.488 44.841 27.894 12.283 -2.333 -16.312 -29.997 -43.489 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 202.077 166.191 135.091 108.169 84.651 63.859 45.229 28.308 12.733 -1.828 -15.717 -29.265 -42.636 -55.156 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 202.493 166.636 135.542 108.621 85.108 64.327 45.719 28.831 13.302 -1.191 -14.968 -28.340 -41.509 -54.320 -63.273 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 202.806 166.974 135.884 108.964 85.455 64.684 46.092 29.229 13.734 -0.708 -14.402 -27.639 -40.633 -53.428 -65.533 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 203.241 167.447 136.364 109.448 85.944 65.185 46.616 29.787 14.340 -0.032 -13.612 -26.663 -39.393 -51.985 -65.327 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 203.658 167.905 136.832 109.918 86.420 65.674 47.127 30.330 14.928 0.623 -12.850 -25.724 -38.192 -50.477 -63.822 42.408 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 204.060 168.349 137.286 110.376 86.884 66.150 47.624 30.859 15.500 1.258 -12.114 -24.824 -37.040 -48.981 -61.885 -28.142 2.541 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 204.445 168.780 137.728 110.823 87.337 66.615 48.109 31.374 16.057 1.874 -11.404 -23.962 -35.943 -47.538 -59.841 -44.837 -33.759 -14.236 14.282 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 204.816 169.197 138.159 111.258 87.779 67.068 48.582 31.876 16.599 2.472 -10.719 -23.139 -34.906 -46.173 -57.840 -52.154 -47.217 -38.457 -24.651 -5.824 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 205.171 169.602 138.577 111.683 88.210 67.510 49.043 32.365 17.126 3.053 -10.059 -22.355 -33.929 -44.898 -55.960 -56.115 -53.949 -49.673 -42.626 -32.299 -18.877 -3.735 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 205.512 169.995 138.985 112.097 88.630 67.942 49.493 32.842 17.640 3.618 -9.421 -21.607 -33.014 -43.721 -54.241 -58.461 -57.820 -55.846 -52.175 -46.444 -38.453 -28.403 -17.058 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 205.838 170.375 139.381 112.500 89.041 68.364 49.933 33.308 18.141 4.166 -8.806 -20.894 -32.157 -42.643 -52.700 -59.901 -60.202 -59.581 -57.824 -54.696 -50.003 -43.680 -35.901 -27.127 -18.010 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 206.152 170.744 139.768 112.894 89.441 68.775 50.362 33.762 18.630 4.699 -8.212 -20.215 -31.357 -41.662 -51.343 -60.781 -61.710 -61.960 -61.395 -59.863 -57.217 -53.356 -48.273 -42.107 -35.148 -27.785 -20.401 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 206.452 171.103 140.144 113.278 89.833 69.177 50.781 34.206 19.106 5.218 -7.639 -19.568 -30.611 -40.773 -50.166 -61.291 -62.662 -63.509 -63.740 -63.253 -61.944 -59.721 -56.535 -52.401 -47.425 -41.795 -35.750 -29.524 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 206.739 171.450 140.510 113.653 90.215 69.570 51.190 34.639 19.571 5.723 -7.084 -18.950 -29.915 -39.970 -49.156 -61.546 -63.240 -64.514 -65.305 -65.540 -65.145 -64.049 -62.195 -59.562 -56.171 -52.099 -47.471 -42.436 -37.140 -31.697 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 207.014 171.786 140.867 114.018 90.588 69.954 51.590 35.062 20.025 6.215 -6.546 -18.360 -29.262 -39.244 -48.296 -61.620 -63.557 -65.147 -66.346 -67.101 -67.357 -67.061 -66.163 -64.630 -62.453 -59.653 -56.285 -52.431 -48.186 -43.641 -38.869 99999.999 99999.999 99999.999 99999.999 99999.999 207.277 172.113 141.214 114.375 90.953 70.330 51.981 35.476 20.468 6.694 -6.025 -17.793 -28.649 -38.583 -47.563 -61.560 -63.685 -65.516 -67.020 -68.161 -68.897 -69.187 -68.991 -68.275 -67.020 -65.222 -62.899 -60.089 -56.847 -53.232 -49.303 -45.104 -40.664 99999.999 99999.999 99999.999 207.528 172.430 141.553 114.724 91.310 70.697 52.364 35.880 20.901 7.161 -5.519 -17.248 -28.068 -37.975 -46.931 -61.402 -63.673 -65.691 -67.431 -68.865 -69.964 -70.694 -71.024 -70.926 -70.375 -69.360 -67.879 -65.947 -63.588 -60.839 -57.738 -54.321 -50.616 -46.640 99999.999 99999.999 207.768 172.736 141.882 115.064 91.658 71.055 52.737 36.275 21.323 7.618 -5.027 -16.720 -27.512 -37.406 -46.370 -61.168 -63.556 -65.721 -67.646 -69.308 -70.687 -71.755 -72.489 -72.864 -72.858 -72.455 -71.648 -70.435 -68.826 -66.839 -64.496 -61.821 -58.837 -55.562 -52.006 -48.172 207.997 173.034 142.203 115.396 91.999 71.407 53.103 36.662 21.737 8.063 -4.546 -16.207 -26.975 -36.861 -45.845 -60.878 -63.359 -65.642 -67.713 -69.556 -71.154 -72.487 -73.535 -74.279 -74.700 -74.781 -74.511 -73.884 -72.899 -71.563 -69.886 -67.883 -65.569 -62.959 -60.063 -56.889 209.729 175.545 144.995 118.323 95.022 74.533 56.364 40.104 25.414 12.023 -0.276 -11.629 -22.132 -31.850 -40.822 -56.660 -59.505 -62.246 -64.885 -67.420 -69.853 -72.184 -74.412 -76.535 -78.553 -80.463 -82.264 -83.952 -85.524 -86.979 -88.313 -89.524 -90.609 -91.567 -92.395 -93.093 210.614 177.343 147.145 120.648 97.463 77.079 59.030 42.919 28.417 15.252 3.211 -7.870 -18.111 -27.596 -36.388 -52.111 -54.984 -57.775 -60.486 -63.119 -65.678 -68.166 -70.585 -72.936 -75.223 -77.447 -79.610 -81.713 -83.758 -85.746 -87.679 -89.556 -91.380 -93.152 -94.871 -96.540 210.830 178.575 148.784 122.497 99.447 79.173 61.236 45.254 30.908 17.931 6.105 -4.743 -14.744 -23.997 -32.579 -47.977 -50.806 -53.558 -56.238 -58.849 -61.394 -63.877 -66.301 -68.668 -70.982 -73.246 -75.462 -77.632 -79.760 -81.847 -83.896 -85.910 -87.890 -89.838 -91.757 -93.649 210.511 179.352 150.011 123.959 101.060 80.904 63.077 47.212 32.999 20.179 8.535 -2.111 -11.899 -20.937 -29.312 -44.341 -47.104 -49.794 -52.416 -54.971 -57.464 -59.898 -62.276 -64.602 -66.878 -69.107 -71.293 -73.438 -75.544 -77.616 -79.654 -81.662 -83.642 -85.597 -87.528 -89.438 209.757 179.756 150.897 125.103 102.369 82.337 64.619 48.864 34.771 22.086 10.597 0.125 -9.476 -18.321 -26.502 -41.165 -43.860 -46.483 -49.038 -51.530 -53.960 -56.333 -58.651 -60.919 -63.138 -65.311 -67.442 -69.534 -71.589 -73.610 -75.599 -77.559 -79.493 -81.402 -83.289 -85.156 208.645 179.853 151.499 125.980 103.423 83.522 65.915 50.265 36.281 23.716 12.361 2.039 -7.398 -16.070 -24.076 -38.393 -41.021 -43.578 -46.068 -48.496 -50.863 -53.173 -55.430 -57.636 -59.794 -61.907 -63.978 -66.011 -68.006 -69.968 -71.898 -73.799 -75.674 -77.524 -79.352 -81.160 207.235 179.695 151.863 126.630 104.260 84.496 67.001 51.455 37.574 25.117 13.880 3.688 -5.605 -14.124 -21.971 -35.969 -38.534 -41.029 -43.458 -45.825 -48.131 -50.382 -52.578 -54.725 -56.824 -58.879 -60.892 -62.865 -64.802 -66.705 -68.577 -70.419 -72.234 -74.025 -75.793 -77.541 99999.999 179.324 152.025 127.086 104.912 85.290 67.910 52.465 38.683 26.326 15.195 5.118 -4.050 -12.433 -20.138 -33.845 -36.352 -38.790 -41.161 -43.471 -45.721 -47.916 -50.057 -52.148 -54.192 -56.191 -58.149 -60.068 -61.950 -63.799 -65.615 -67.402 -69.162 -70.898 -72.610 -74.301 stilbite CaAl2Si7O25H14 P-T:All Wt.(g/mol) = 704.720 V(cc/mol) = 328.700 D(g/cc) = 2.144 Ref: H&P2011 5 1.000 9 2.000 8 7.000 7 -3.000 2 -8.000 1 -4.299 -5.038 -5.977 -6.861 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.299 -5.038 -5.977 -6.861 -7.640 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-10.376 -10.330 -10.250 -10.128 -9.957 -9.730 -9.440 -9.080 -8.650 -8.151 -7.592 -6.985 -6.347 -5.689 -5.023 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.690 -3.933 -4.686 -5.481 -6.205 -6.835 -7.381 -7.859 -8.286 -8.676 -9.037 -9.373 -9.681 -9.955 -10.192 -10.317 -10.294 -10.243 -10.159 -10.039 -9.875 -9.662 -9.395 -9.072 -8.690 -8.253 -7.766 -7.236 -6.673 -6.085 -5.477 99999.999 99999.999 99999.999 99999.999 99999.999 -3.693 -3.900 -4.638 -5.426 -6.144 -6.771 -7.312 -7.786 -8.207 -8.591 -8.946 -9.274 -9.573 -9.838 -10.060 -10.248 -10.241 -10.212 -10.157 -10.072 -9.954 -9.798 -9.599 -9.354 -9.062 -8.721 -8.333 -7.902 -7.433 -6.930 -6.399 -5.844 -5.264 99999.999 99999.999 99999.999 -3.701 -3.871 -4.594 -5.373 -6.086 -6.709 -7.246 -7.715 -8.131 -8.509 -8.857 -9.179 -9.471 -9.728 -9.943 -10.172 -10.177 -10.164 -10.131 -10.073 -9.989 -9.874 -9.726 -9.540 -9.316 -9.050 -8.743 -8.395 -8.010 -7.589 -7.136 -6.653 -6.142 -5.603 99999.999 99999.999 -3.713 -3.845 -4.552 -5.323 -6.031 -6.649 -7.183 -7.647 -8.058 -8.430 -8.772 -9.087 -9.373 -9.626 -9.837 -10.090 -10.105 -10.105 -10.088 -10.051 -9.992 -9.909 -9.798 -9.658 -9.485 -9.278 -9.035 -8.757 -8.443 -8.095 -7.714 -7.301 -6.860 -6.388 -5.888 -5.358 -3.729 -3.823 -4.513 -5.276 -5.978 -6.592 -7.122 -7.582 -7.988 -8.354 -8.690 -8.999 -9.279 -9.527 -9.737 -10.005 -10.027 -10.037 -10.032 -10.011 -9.972 -9.913 -9.832 -9.726 -9.593 -9.432 -9.240 -9.018 -8.764 -8.478 -8.161 -7.813 -7.436 -7.030 -6.595 -6.130 -4.081 -3.764 -4.279 -4.945 -5.585 -6.150 -6.636 -7.051 -7.409 -7.722 -8.001 -8.251 -8.477 -8.678 -8.855 -9.130 -9.173 -9.212 -9.246 -9.277 -9.303 -9.324 -9.341 -9.353 -9.360 -9.361 -9.356 -9.345 -9.327 -9.302 -9.268 -9.226 -9.175 -9.114 -9.044 -8.963 -4.728 -3.961 -4.275 -4.828 -5.393 -5.902 -6.339 -6.709 -7.020 -7.284 -7.511 -7.709 -7.882 -8.034 -8.165 -8.371 -8.404 -8.436 -8.465 -8.492 -8.517 -8.540 -8.562 -8.583 -8.602 -8.620 -8.636 -8.652 -8.666 -8.679 -8.690 -8.701 -8.710 -8.718 -8.724 -8.729 -5.611 -4.362 -4.455 -4.881 -5.362 -5.807 -6.192 -6.514 -6.779 -6.996 -7.176 -7.324 -7.449 -7.552 -7.637 -7.761 -7.779 -7.796 -7.812 -7.826 -7.839 -7.851 -7.862 -7.873 -7.883 -7.894 -7.904 -7.914 -7.925 -7.936 -7.947 -7.959 -7.972 -7.986 -8.001 -8.016 -6.684 -4.930 -4.786 -5.074 -5.461 -5.838 -6.166 -6.439 -6.657 -6.830 -6.963 -7.066 -7.144 -7.202 -7.243 -7.283 -7.286 -7.287 -7.287 -7.286 -7.285 -7.282 -7.280 -7.277 -7.274 -7.271 -7.268 -7.266 -7.265 -7.265 -7.265 -7.267 -7.270 -7.274 -7.280 -7.288 -7.914 -5.635 -5.242 -5.383 -5.670 -5.972 -6.241 -6.461 -6.634 -6.761 -6.851 -6.910 -6.945 -6.959 -6.958 -6.917 -6.904 -6.890 -6.875 -6.859 -6.843 -6.826 -6.809 -6.792 -6.775 -6.758 -6.741 -6.725 -6.710 -6.696 -6.683 -6.672 -6.661 -6.653 -6.646 -6.641 -9.276 -6.456 -5.804 -5.790 -5.971 -6.194 -6.400 -6.567 -6.692 -6.775 -6.823 -6.840 -6.833 -6.806 -6.764 -6.646 -6.618 -6.589 -6.560 -6.530 -6.499 -6.468 -6.437 -6.405 -6.374 -6.344 -6.313 -6.284 -6.255 -6.228 -6.201 -6.176 -6.152 -6.130 -6.110 -6.091 -10.751 -7.375 -6.456 -6.281 -6.352 -6.492 -6.631 -6.743 -6.819 -6.858 -6.864 -6.841 -6.794 -6.728 -6.648 -6.455 -6.413 -6.370 -6.327 -6.283 -6.238 -6.194 -6.149 -6.105 -6.060 -6.017 -5.973 -5.931 -5.889 -5.849 -5.809 -5.771 -5.735 -5.700 -5.667 -5.635 99999.999 -8.379 -7.187 -6.845 -6.801 -6.854 -6.926 -6.981 -7.007 -7.001 -6.965 -6.903 -6.818 -6.714 -6.597 -6.334 -6.278 -6.222 -6.165 -6.108 -6.050 -5.993 -5.936 -5.878 -5.822 -5.766 -5.710 -5.655 -5.602 -5.549 -5.498 -5.448 -5.399 -5.352 -5.307 -5.264 stilpnomelane-Fe K0.5Fe5Si8Al2O30.5H12.5 P-T:All Wt.(g/mol) = 1077.987 V(cc/mol) = 372.390 D(g/cc) = 2.895 Ref: H&P2011 6 0.500 12 5.000 11 2.000 8 8.000 7 -1.500 2 -16.500 1 30.369 25.245 20.540 16.426 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.369 25.245 20.540 16.426 12.851 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.372 25.249 20.544 16.430 12.855 9.726 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.379 25.257 20.552 16.438 12.864 9.734 6.955 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.389 25.270 20.566 16.452 12.878 9.749 6.970 4.458 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.407 25.291 20.588 16.475 12.901 9.772 6.994 4.484 2.170 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.432 25.321 20.620 16.508 12.935 9.807 7.031 4.522 2.211 0.023 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.468 25.365 20.666 16.555 12.983 9.856 7.082 4.577 2.270 0.088 -2.054 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.516 25.424 20.729 16.619 13.048 9.924 7.152 4.651 2.350 0.177 -1.951 -4.122 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.578 25.501 20.811 16.703 13.134 10.012 7.244 4.749 2.456 0.295 -1.815 -3.956 -6.182 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.655 25.599 20.916 16.811 13.244 10.125 7.363 4.874 2.591 0.445 -1.640 -3.744 -5.926 -8.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.749 25.720 21.046 16.946 13.382 10.268 7.511 5.032 2.761 0.633 -1.422 -3.478 -5.598 -7.796 -9.551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.817 25.810 21.143 17.047 13.486 10.375 7.623 5.151 2.889 0.775 -1.258 -3.279 -5.347 -7.513 -9.813 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.907 25.932 21.278 17.186 13.630 10.524 7.779 5.316 3.067 0.972 -1.031 -3.002 -4.997 -7.086 -9.547 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 30.989 26.048 21.405 17.320 13.768 10.667 7.929 5.476 3.239 1.162 -0.812 -2.737 -4.662 -6.658 -9.052 12.036 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.063 26.157 21.527 17.448 13.901 10.805 8.074 5.629 3.405 1.345 -0.603 -2.484 -4.343 -6.242 -8.493 -1.119 4.734 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.129 26.259 21.643 17.571 14.029 10.938 8.213 5.778 3.565 1.521 -0.401 -2.243 -4.040 -5.847 -7.931 -4.154 -1.965 1.769 7.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.187 26.354 21.753 17.688 14.151 11.065 8.348 5.921 3.720 1.691 -0.208 -2.014 -3.755 -5.475 -7.391 -5.411 -4.374 -2.636 0.013 3.507 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.238 26.444 21.857 17.800 14.268 11.188 8.477 6.059 3.869 1.855 -0.023 -1.796 -3.487 -5.128 -6.889 -6.038 -5.518 -4.613 -3.205 -1.216 1.287 4.004 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.282 26.527 21.956 17.907 14.381 11.306 8.602 6.192 4.012 2.013 0.155 -1.589 -3.235 -4.808 -6.431 -6.367 -6.127 -5.647 -4.862 -3.708 -2.160 -0.275 1.782 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.319 26.605 22.049 18.009 14.488 11.420 8.722 6.320 4.151 2.165 0.325 -1.392 -3.000 -4.514 -6.019 -6.530 -6.462 -6.230 -5.795 -5.116 -4.161 -2.927 -1.456 0.151 1.765 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.350 26.676 22.138 18.106 14.592 11.529 8.837 6.444 4.285 2.312 0.489 -1.205 -2.780 -4.245 -5.654 -6.594 -6.638 -6.564 -6.346 -5.957 -5.372 -4.575 -3.572 -2.394 -1.104 0.223 1.513 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.374 26.743 22.221 18.198 14.690 11.633 8.949 6.563 4.414 2.453 0.646 -1.027 -2.575 -4.000 -5.334 -6.594 -6.716 -6.748 -6.673 -6.472 -6.128 -5.625 -4.956 -4.128 -3.165 -2.105 -0.995 0.121 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.391 26.804 22.300 18.286 14.785 11.734 9.056 6.678 4.539 2.590 0.797 -0.858 -2.383 -3.778 -5.054 -6.550 -6.728 -6.835 -6.859 -6.788 -6.607 -6.305 -5.872 -5.307 -4.615 -3.813 -2.926 -1.983 -1.009 -0.024 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.403 26.859 22.373 18.370 14.876 11.831 9.159 6.789 4.660 2.722 0.942 -0.697 -2.204 -3.575 -4.812 -6.478 -6.697 -6.858 -6.953 -6.973 -6.908 -6.748 -6.485 -6.113 -5.632 -5.047 -4.369 -3.615 -2.801 -1.943 -1.054 99999.999 99999.999 99999.999 99999.999 99999.999 31.409 26.910 22.443 18.449 14.962 11.923 9.258 6.896 4.776 2.849 1.082 -0.544 -2.035 -3.389 -4.602 -6.384 -6.634 -6.836 -6.984 -7.071 -7.089 -7.033 -6.893 -6.665 -6.345 -5.933 -5.433 -4.853 -4.202 -3.491 -2.730 -1.924 -1.077 99999.999 99999.999 99999.999 31.408 26.956 22.508 18.525 15.045 12.012 9.354 7.000 4.888 2.972 1.216 -0.397 -1.875 -3.217 -4.417 -6.275 -6.549 -6.782 -6.969 -7.107 -7.188 -7.208 -7.160 -7.040 -6.843 -6.567 -6.212 -5.782 -5.279 -4.711 -4.084 -3.403 -2.671 -1.890 99999.999 99999.999 31.403 26.997 22.568 18.596 15.123 12.097 9.446 7.099 4.997 3.090 1.346 -0.255 -1.723 -3.057 -4.250 -6.156 -6.448 -6.705 -6.923 -7.098 -7.227 -7.305 -7.327 -7.289 -7.187 -7.017 -6.779 -6.472 -6.098 -5.659 -5.159 -4.601 -3.988 -3.321 -2.602 -1.829 31.391 27.033 22.625 18.664 15.198 12.179 9.534 7.195 5.101 3.205 1.472 -0.119 -1.577 -2.904 -4.095 -6.030 -6.336 -6.611 -6.853 -7.058 -7.223 -7.346 -7.422 -7.447 -7.418 -7.333 -7.188 -6.982 -6.715 -6.387 -6.001 -5.557 -5.057 -4.503 -3.896 -3.235 31.008 27.167 22.983 19.147 15.768 12.819 10.242 7.977 5.966 4.162 2.528 1.038 -0.325 -1.572 -2.708 -4.675 -5.022 -5.354 -5.672 -5.976 -6.265 -6.540 -6.801 -7.047 -7.277 -7.493 -7.692 -7.875 -8.040 -8.187 -8.315 -8.424 -8.512 -8.579 -8.624 -8.647 30.209 26.947 23.024 19.337 16.059 13.190 10.686 8.492 6.557 4.835 3.288 1.888 0.615 -0.546 -1.606 -3.460 -3.793 -4.114 -4.425 -4.726 -5.017 -5.299 -5.572 -5.837 -6.094 -6.344 -6.586 -6.821 -7.049 -7.270 -7.484 -7.692 -7.893 -8.088 -8.277 -8.459 29.080 26.445 22.811 19.293 16.130 13.350 10.922 8.800 6.936 5.289 3.822 2.504 1.314 0.234 -0.749 -2.464 -2.773 -3.071 -3.360 -3.640 -3.911 -4.175 -4.432 -4.682 -4.926 -5.164 -5.397 -5.626 -5.850 -6.071 -6.288 -6.502 -6.714 -6.923 -7.129 -7.335 27.684 25.714 22.393 19.059 16.022 13.338 10.990 8.940 7.147 5.571 4.177 2.934 1.820 0.816 -0.093 -1.669 -1.951 -2.224 -2.487 -2.742 -2.990 -3.230 -3.463 -3.691 -3.913 -4.130 -4.343 -4.551 -4.756 -4.959 -5.158 -5.356 -5.551 -5.746 -5.940 -6.133 26.068 24.794 21.802 18.666 15.764 13.183 10.919 8.944 7.220 5.712 4.386 3.214 2.170 1.237 0.398 -1.044 -1.301 -1.548 -1.786 -2.016 -2.239 -2.455 -2.665 -2.869 -3.067 -3.261 -3.450 -3.636 -3.818 -3.998 -4.175 -4.351 -4.525 -4.698 -4.870 -5.042 24.269 23.715 21.068 18.139 15.380 12.907 10.732 8.833 7.179 5.736 4.476 3.369 2.392 1.525 0.751 -0.564 -0.796 -1.019 -1.233 -1.439 -1.639 -1.831 -2.018 -2.198 -2.374 -2.545 -2.711 -2.874 -3.034 -3.191 -3.346 -3.499 -3.651 -3.801 -3.951 -4.100 22.314 22.502 20.211 17.497 14.889 12.529 10.445 8.624 7.040 5.663 4.465 3.420 2.505 1.700 0.989 -0.206 -0.415 -0.615 -0.806 -0.990 -1.167 -1.338 -1.502 -1.661 -1.815 -1.964 -2.109 -2.251 -2.389 -2.525 -2.658 -2.790 -2.920 -3.049 -3.178 -3.305 99999.999 21.174 19.247 16.757 14.304 12.062 10.073 8.332 6.818 5.506 4.369 3.384 2.528 1.781 1.128 0.046 -0.141 -0.319 -0.489 -0.651 -0.807 -0.957 -1.100 -1.239 -1.372 -1.501 -1.626 -1.748 -1.866 -1.982 -2.096 -2.208 -2.318 -2.428 -2.536 -2.645 stilpnomelane-Mg K0.5Mg5Si8Al2O30.5H12.5 P-T:All Wt.(g/mol) = 920.287 V(cc/mol) = 365.770 D(g/cc) = 2.516 Ref: H&P2011 6 0.500 12 2.000 8 8.000 7 -1.500 2 -16.500 1 5.000 10 51.428 44.183 37.712 32.115 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.428 44.183 37.712 32.115 27.283 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.431 44.187 37.716 32.119 27.287 23.082 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.437 44.194 37.724 32.127 27.295 23.090 19.383 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.447 44.207 37.737 32.140 27.309 23.104 19.397 16.079 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.463 44.226 37.757 32.161 27.331 23.127 19.421 16.104 13.083 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.487 44.255 37.788 32.193 27.363 23.160 19.456 16.141 13.123 10.312 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.521 44.297 37.832 32.238 27.409 23.207 19.506 16.194 13.181 10.376 7.680 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.566 44.352 37.891 32.299 27.471 23.272 19.573 16.266 13.259 10.464 7.783 5.118 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.624 44.425 37.969 32.379 27.553 23.357 19.663 16.361 13.363 10.580 7.918 5.283 2.618 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.697 44.517 38.068 32.481 27.658 23.466 19.777 16.483 13.495 10.728 8.091 5.495 2.874 0.314 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.784 44.631 38.190 32.609 27.790 23.602 19.920 16.636 13.661 10.913 8.308 5.761 3.203 0.620 -1.394 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.847 44.715 38.282 32.704 27.889 23.705 20.028 16.752 13.787 11.053 8.470 5.960 3.454 0.902 -1.714 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.930 44.829 38.409 32.836 28.026 23.847 20.178 16.912 13.961 11.247 8.696 6.237 3.806 1.329 -1.476 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.005 44.937 38.529 32.963 28.157 23.984 20.323 17.067 14.129 11.434 8.913 6.502 4.143 1.760 -0.986 21.509 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.072 45.038 38.642 33.083 28.283 24.116 20.462 17.216 14.291 11.614 9.121 6.754 4.464 2.180 -0.424 7.178 13.495 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.132 45.132 38.750 33.199 28.403 24.242 20.596 17.359 14.447 11.787 9.320 6.995 4.768 2.579 0.146 3.859 6.186 10.207 15.931 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.183 45.220 38.853 33.308 28.519 24.364 20.724 17.497 14.597 11.953 9.511 7.223 5.054 2.955 0.694 2.467 3.543 5.387 8.232 12.024 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.228 45.302 38.949 33.413 28.629 24.480 20.848 17.630 14.742 12.114 9.693 7.440 5.323 3.305 1.205 1.760 2.274 3.211 4.700 6.832 9.542 12.513 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.266 45.378 39.040 33.513 28.735 24.592 20.967 17.759 14.881 12.268 9.869 7.646 5.575 3.628 1.670 1.378 1.586 2.060 2.871 4.088 5.743 7.780 10.023 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.297 45.448 39.127 33.607 28.836 24.699 21.082 17.882 15.016 12.417 10.037 7.842 5.811 3.924 2.088 1.176 1.197 1.400 1.829 2.527 3.532 4.849 6.434 8.182 9.953 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.321 45.513 39.208 33.697 28.933 24.802 21.192 18.001 15.146 12.561 10.198 8.027 6.030 4.194 2.457 1.084 0.981 1.012 1.204 1.586 2.186 3.021 4.089 5.355 6.755 8.205 9.627 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.339 45.572 39.284 33.783 29.025 24.901 21.298 18.116 15.271 12.699 10.353 8.203 6.234 4.439 2.781 1.061 0.874 0.789 0.824 0.999 1.336 1.849 2.549 3.427 4.460 5.606 6.815 8.039 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.351 45.626 39.355 33.864 29.113 24.996 21.400 18.226 15.392 12.832 10.501 8.370 6.425 4.661 3.061 1.087 0.838 0.670 0.597 0.631 0.788 1.081 1.521 2.110 2.842 3.699 4.656 5.680 6.744 7.825 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.356 45.674 39.422 33.941 29.197 25.086 21.498 18.332 15.508 12.960 10.643 8.529 6.603 4.863 3.303 1.145 0.851 0.623 0.471 0.405 0.436 0.573 0.827 1.203 1.702 2.318 3.041 3.852 4.733 5.665 6.638 99999.999 99999.999 99999.999 99999.999 99999.999 52.356 45.718 39.484 34.013 29.277 25.173 21.591 18.435 15.620 13.084 10.780 8.680 6.771 5.048 3.513 1.227 0.898 0.626 0.416 0.276 0.214 0.238 0.356 0.574 0.896 1.321 1.846 2.462 3.160 3.927 4.752 5.629 6.553 99999.999 99999.999 99999.999 52.350 45.757 39.542 34.082 29.354 25.256 21.682 18.533 15.728 13.204 10.912 8.825 6.928 5.217 3.695 1.325 0.970 0.663 0.410 0.215 0.084 0.024 0.041 0.140 0.326 0.601 0.965 1.416 1.948 2.555 3.229 3.965 4.758 5.607 99999.999 99999.999 52.339 45.791 39.596 34.147 29.426 25.335 21.768 18.628 15.833 13.319 11.039 8.964 7.078 5.376 3.859 1.435 1.060 0.727 0.440 0.202 0.019 -0.105 -0.165 -0.156 -0.075 0.083 0.319 0.632 1.023 1.486 2.019 2.617 3.277 3.997 4.775 5.613 52.322 45.820 39.645 34.208 29.495 25.411 21.851 18.719 15.933 13.430 11.162 9.098 7.222 5.526 4.012 1.554 1.163 0.809 0.496 0.226 0.002 -0.172 -0.291 -0.352 -0.352 -0.286 -0.153 0.049 0.320 0.660 1.067 1.538 2.072 2.666 3.320 4.033 51.886 45.889 39.937 34.627 30.004 25.995 22.508 19.455 16.757 14.352 12.188 10.230 8.453 6.839 5.377 2.870 2.430 2.010 1.609 1.227 0.864 0.519 0.193 -0.114 -0.402 -0.670 -0.919 -1.147 -1.353 -1.538 -1.701 -1.840 -1.954 -2.045 -2.110 -2.149 51.039 45.609 39.916 34.757 30.238 26.314 22.903 19.926 17.309 14.990 12.919 11.056 9.372 7.847 6.463 4.068 3.641 3.230 2.834 2.452 2.084 1.729 1.386 1.054 0.734 0.425 0.127 -0.162 -0.441 -0.710 -0.970 -1.221 -1.463 -1.696 -1.920 -2.136 49.866 45.052 39.646 34.657 30.255 26.423 23.092 20.190 17.649 15.410 13.422 11.645 10.049 8.608 7.305 5.051 4.649 4.262 3.888 3.527 3.178 2.840 2.513 2.195 1.887 1.587 1.295 1.011 0.733 0.462 0.196 -0.064 -0.320 -0.571 -0.818 -1.061 48.429 44.268 39.172 34.368 30.095 26.361 23.114 20.289 17.821 15.657 13.746 12.049 10.532 9.171 7.945 5.836 5.461 5.100 4.752 4.416 4.092 3.778 3.474 3.179 2.893 2.614 2.343 2.078 1.819 1.565 1.317 1.072 0.831 0.594 0.359 0.127 46.776 43.298 38.529 33.923 29.787 26.159 22.999 20.251 17.857 15.763 13.924 12.300 10.858 9.572 8.419 6.449 6.101 5.766 5.444 5.134 4.834 4.545 4.266 3.996 3.733 3.479 3.231 2.990 2.754 2.523 2.297 2.075 1.856 1.640 1.427 1.216 44.941 42.171 37.743 33.345 29.355 25.838 22.769 20.100 17.778 15.754 13.983 12.428 11.055 9.838 8.754 6.916 6.594 6.284 5.987 5.702 5.427 5.162 4.907 4.660 4.422 4.191 3.966 3.748 3.536 3.328 3.125 2.926 2.730 2.538 2.347 2.159 42.954 40.911 36.837 32.655 28.817 25.415 22.440 19.852 17.603 15.646 13.941 12.451 11.144 9.991 8.972 7.260 6.962 6.676 6.403 6.141 5.889 5.648 5.415 5.191 4.975 4.767 4.565 4.369 4.178 3.993 3.812 3.635 3.461 3.290 3.122 2.956 99999.999 39.538 35.826 31.867 28.186 24.904 22.026 19.520 17.345 15.456 13.815 12.387 11.141 10.050 9.091 7.497 7.222 6.959 6.708 6.469 6.239 6.019 5.808 5.606 5.411 5.223 5.042 4.867 4.697 4.532 4.372 4.215 4.062 3.912 3.764 3.618 stishovite SiO2 P-T:All Wt.(g/mol) = 60.080 V(cc/mol) = 14.010 D(g/cc) = 4.288 Ref: H&P2011 2 1.000 7 -2.000 2 3.308 3.175 3.013 2.858 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.308 3.175 3.013 2.858 2.718 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.308 3.175 3.013 2.858 2.718 2.593 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.307 3.175 3.013 2.858 2.718 2.593 2.483 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.307 3.175 3.013 2.858 2.718 2.593 2.483 2.386 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.306 3.174 3.013 2.859 2.718 2.594 2.484 2.386 2.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.305 3.174 3.013 2.859 2.719 2.595 2.485 2.387 2.300 2.221 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.303 3.173 3.013 2.859 2.719 2.595 2.486 2.389 2.302 2.222 2.149 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.300 3.172 3.013 2.860 2.720 2.597 2.487 2.390 2.304 2.225 2.152 2.081 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.296 3.171 3.013 2.860 2.721 2.598 2.489 2.393 2.306 2.228 2.155 2.086 2.015 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.290 3.169 3.012 2.860 2.722 2.600 2.491 2.395 2.310 2.232 2.160 2.092 2.022 1.945 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.282 3.165 3.011 2.861 2.723 2.602 2.494 2.399 2.314 2.237 2.166 2.099 2.032 1.959 1.860 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.276 3.162 3.010 2.860 2.724 2.603 2.496 2.401 2.316 2.240 2.170 2.104 2.039 1.969 1.883 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.266 3.157 3.008 2.860 2.724 2.604 2.498 2.404 2.320 2.245 2.176 2.111 2.048 1.982 1.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.255 3.152 3.005 2.858 2.724 2.605 2.499 2.406 2.323 2.249 2.181 2.117 2.056 1.993 1.923 1.566 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.244 3.146 3.002 2.857 2.724 2.605 2.501 2.408 2.326 2.253 2.186 2.123 2.063 2.003 1.938 1.728 1.628 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.232 3.140 2.998 2.855 2.723 2.605 2.502 2.410 2.329 2.256 2.190 2.129 2.070 2.012 1.951 1.782 1.725 1.648 1.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.220 3.133 2.993 2.852 2.722 2.605 2.502 2.411 2.331 2.259 2.194 2.134 2.077 2.021 1.962 1.815 1.773 1.721 1.657 1.578 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.207 3.125 2.989 2.849 2.720 2.604 2.502 2.412 2.333 2.262 2.197 2.138 2.083 2.028 1.973 1.840 1.805 1.765 1.718 1.662 1.596 1.522 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.193 3.117 2.983 2.845 2.718 2.603 2.502 2.413 2.334 2.264 2.201 2.143 2.088 2.035 1.982 1.860 1.830 1.796 1.758 1.715 1.665 1.608 1.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.179 3.109 2.978 2.842 2.715 2.602 2.502 2.413 2.335 2.266 2.203 2.146 2.093 2.042 1.990 1.877 1.850 1.820 1.788 1.752 1.712 1.667 1.617 1.563 1.506 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.164 3.100 2.972 2.837 2.712 2.600 2.501 2.413 2.336 2.267 2.206 2.150 2.097 2.047 1.998 1.891 1.867 1.841 1.812 1.781 1.747 1.710 1.669 1.624 1.576 1.526 1.475 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.149 3.090 2.965 2.833 2.709 2.598 2.499 2.413 2.336 2.269 2.208 2.153 2.102 2.053 2.005 1.904 1.882 1.858 1.832 1.805 1.775 1.743 1.708 1.671 1.630 1.588 1.543 1.497 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.133 3.080 2.958 2.828 2.705 2.595 2.498 2.412 2.337 2.270 2.210 2.155 2.105 2.058 2.012 1.916 1.895 1.873 1.850 1.825 1.799 1.771 1.740 1.708 1.673 1.636 1.597 1.557 1.517 1.476 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.117 3.070 2.951 2.822 2.701 2.592 2.496 2.411 2.336 2.270 2.211 2.158 2.109 2.062 2.018 1.926 1.907 1.886 1.865 1.842 1.819 1.793 1.766 1.738 1.707 1.675 1.641 1.606 1.570 1.533 1.496 99999.999 99999.999 99999.999 99999.999 99999.999 3.100 3.059 2.943 2.817 2.697 2.589 2.494 2.410 2.336 2.271 2.212 2.160 2.112 2.067 2.023 1.936 1.917 1.898 1.878 1.858 1.836 1.813 1.789 1.763 1.736 1.708 1.678 1.647 1.615 1.582 1.549 1.515 1.482 99999.999 99999.999 99999.999 3.083 3.048 2.935 2.810 2.692 2.586 2.491 2.408 2.335 2.271 2.213 2.162 2.114 2.070 2.028 1.944 1.927 1.909 1.890 1.871 1.851 1.830 1.808 1.785 1.761 1.735 1.709 1.681 1.652 1.623 1.593 1.563 1.532 1.502 99999.999 99999.999 3.065 3.037 2.927 2.804 2.687 2.582 2.489 2.406 2.334 2.271 2.214 2.163 2.117 2.074 2.033 1.952 1.936 1.919 1.901 1.884 1.865 1.846 1.825 1.804 1.782 1.759 1.735 1.711 1.685 1.658 1.631 1.604 1.576 1.548 1.521 1.494 3.047 3.025 2.918 2.797 2.682 2.578 2.486 2.404 2.333 2.270 2.214 2.164 2.119 2.077 2.037 1.960 1.944 1.928 1.912 1.895 1.877 1.859 1.841 1.821 1.801 1.780 1.759 1.736 1.713 1.689 1.664 1.639 1.614 1.589 1.564 1.538 2.844 2.885 2.812 2.713 2.614 2.523 2.441 2.370 2.307 2.252 2.205 2.163 2.125 2.092 2.062 2.008 1.997 1.987 1.977 1.967 1.957 1.947 1.937 1.927 1.917 1.907 1.896 1.886 1.875 1.864 1.853 1.842 1.831 1.820 1.809 1.797 2.606 2.716 2.679 2.604 2.523 2.445 2.376 2.314 2.261 2.214 2.175 2.140 2.111 2.085 2.062 2.025 2.018 2.011 2.005 1.999 1.993 1.987 1.982 1.976 1.970 1.965 1.960 1.954 1.949 1.944 1.938 1.933 1.928 1.923 1.918 1.912 2.341 2.522 2.524 2.474 2.412 2.350 2.292 2.242 2.198 2.160 2.129 2.102 2.080 2.061 2.045 2.021 2.018 2.014 2.011 2.008 2.005 2.002 1.999 1.997 1.994 1.992 1.990 1.988 1.986 1.984 1.982 1.980 1.979 1.977 1.976 1.974 2.053 2.308 2.350 2.328 2.285 2.239 2.195 2.155 2.121 2.093 2.069 2.050 2.035 2.023 2.014 2.003 2.002 2.001 2.000 1.999 1.999 1.999 1.999 1.999 1.999 1.999 2.000 2.000 2.001 2.001 2.002 2.003 2.004 2.005 2.006 2.007 1.746 2.077 2.161 2.166 2.145 2.115 2.085 2.057 2.034 2.014 1.999 1.988 1.980 1.975 1.972 1.973 1.974 1.976 1.977 1.979 1.980 1.982 1.985 1.987 1.989 1.992 1.994 1.997 2.000 2.003 2.006 2.009 2.012 2.015 2.018 2.022 1.422 1.832 1.959 1.993 1.993 1.980 1.964 1.949 1.936 1.926 1.920 1.916 1.915 1.917 1.921 1.933 1.937 1.940 1.944 1.948 1.952 1.956 1.960 1.964 1.969 1.973 1.978 1.982 1.987 1.992 1.997 2.002 2.007 2.012 2.017 2.022 1.085 1.574 1.745 1.809 1.831 1.836 1.835 1.832 1.830 1.830 1.832 1.836 1.843 1.851 1.861 1.885 1.891 1.896 1.902 1.908 1.914 1.920 1.926 1.932 1.939 1.945 1.952 1.958 1.965 1.972 1.978 1.985 1.992 1.999 2.005 2.012 99999.999 1.304 1.520 1.615 1.660 1.683 1.697 1.707 1.716 1.726 1.737 1.749 1.763 1.778 1.794 1.830 1.838 1.845 1.853 1.861 1.869 1.877 1.885 1.893 1.901 1.910 1.918 1.926 1.935 1.943 1.951 1.960 1.968 1.977 1.985 1.993 sudoite-Fe Fe2Al4Si3O18H8 P-T:All Wt.(g/mol) = 599.930 V(cc/mol) = 204.000 D(g/cc) = 2.941 Ref: H&P2011 5 2.000 11 4.000 8 3.000 7 6.000 2 -16.000 1 43.908 36.083 29.254 23.332 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.908 36.083 29.254 23.332 18.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.912 36.087 29.258 23.336 18.158 13.575 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.918 36.094 29.265 23.343 18.166 13.582 9.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.929 36.106 29.277 23.355 18.178 13.595 9.477 5.723 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.947 36.125 29.297 23.374 18.197 13.614 9.498 5.744 2.269 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.973 36.153 29.325 23.403 18.226 13.644 9.529 5.777 2.305 -0.971 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.011 36.193 29.366 23.444 18.267 13.686 9.573 5.824 2.355 -0.915 -4.077 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.061 36.248 29.422 23.500 18.323 13.743 9.632 5.887 2.424 -0.837 -3.987 -7.108 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.128 36.321 29.495 23.573 18.398 13.819 9.712 5.972 2.516 -0.735 -3.867 -6.963 -10.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.213 36.414 29.590 23.668 18.493 13.917 9.814 6.080 2.633 -0.605 -3.714 -6.774 -9.829 -12.720 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.319 36.531 29.709 23.788 18.614 14.041 9.943 6.217 2.781 -0.440 -3.521 -6.537 -9.539 -12.495 -14.576 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.399 36.619 29.800 23.879 18.706 14.135 10.040 6.320 2.893 -0.315 -3.375 -6.357 -9.314 -12.262 -15.101 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.508 36.743 29.926 24.007 18.835 14.267 10.178 6.466 3.050 -0.141 -3.172 -6.107 -8.997 -11.889 -15.018 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.613 36.862 30.049 24.131 18.961 14.395 10.311 6.607 3.202 0.028 -2.976 -5.867 -8.690 -11.502 -14.621 11.580 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.713 36.977 30.168 24.251 19.083 14.520 10.441 6.745 3.350 0.192 -2.788 -5.637 -8.396 -11.120 -14.122 -5.544 1.958 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.808 37.088 30.283 24.368 19.201 14.641 10.567 6.878 3.494 0.350 -2.606 -5.417 -8.117 -10.752 -13.599 -9.594 -6.850 -2.064 4.873 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.899 37.195 30.395 24.482 19.317 14.759 10.690 7.008 3.634 0.504 -2.431 -5.207 -7.853 -10.405 -13.090 -11.362 -10.110 -7.934 -4.540 0.053 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 44.986 37.298 30.504 24.592 19.429 14.875 10.810 7.134 3.769 0.653 -2.262 -5.007 -7.605 -10.081 -12.612 -12.314 -11.735 -10.648 -8.891 -6.345 -3.061 0.617 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.068 37.398 30.609 24.700 19.538 14.987 10.926 7.257 3.902 0.797 -2.099 -4.817 -7.372 -9.782 -12.175 -12.873 -12.665 -12.136 -11.198 -9.765 -7.788 -5.322 -2.557 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.146 37.494 30.711 24.804 19.644 15.096 11.040 7.377 4.030 0.938 -1.942 -4.636 -7.154 -9.508 -11.785 -13.213 -13.234 -13.033 -12.560 -11.756 -10.577 -9.008 -7.093 -4.947 -2.730 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.220 37.587 30.810 24.906 19.748 15.202 11.150 7.494 4.155 1.074 -1.791 -4.463 -6.951 -9.259 -11.440 -13.417 -13.590 -13.601 -13.416 -13.000 -12.316 -11.341 -10.074 -8.551 -6.843 -5.045 -3.251 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.290 37.677 30.906 25.005 19.849 15.305 11.258 7.608 4.277 1.206 -1.645 -4.299 -6.762 -9.034 -11.142 -13.532 -13.812 -13.967 -13.976 -13.812 -13.452 -12.873 -12.064 -11.029 -9.795 -8.408 -6.926 -5.406 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.357 37.763 30.999 25.101 19.947 15.406 11.363 7.719 4.396 1.334 -1.504 -4.142 -6.585 -8.830 -10.885 -13.585 -13.943 -14.202 -14.346 -14.358 -14.219 -13.913 -13.425 -12.752 -11.899 -10.884 -9.738 -8.499 -7.201 -5.871 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.419 37.846 31.089 25.194 20.043 15.505 11.465 7.827 4.511 1.459 -1.368 -3.992 -6.420 -8.646 -10.667 -13.594 -14.012 -14.347 -14.590 -14.727 -14.746 -14.633 -14.377 -13.970 -13.408 -12.699 -11.856 -10.897 -9.848 -8.728 -7.557 99999.999 99999.999 99999.999 99999.999 99999.999 45.479 37.927 31.177 25.285 20.136 15.601 11.565 7.932 4.624 1.581 -1.236 -3.849 -6.265 -8.478 -10.480 -13.572 -14.035 -14.428 -14.745 -14.976 -15.111 -15.140 -15.053 -14.843 -14.504 -14.036 -13.444 -12.736 -11.926 -11.028 -10.056 -9.020 -7.928 99999.999 99999.999 99999.999 45.535 38.004 31.262 25.373 20.227 15.694 11.662 8.035 4.734 1.700 -1.108 -3.711 -6.118 -8.324 -10.320 -13.526 -14.024 -14.463 -14.836 -15.138 -15.361 -15.496 -15.537 -15.476 -15.307 -15.028 -14.639 -14.141 -13.543 -12.852 -12.078 -11.229 -10.311 -9.329 99999.999 99999.999 45.587 38.079 31.344 25.459 20.315 15.786 11.757 8.135 4.841 1.815 -0.983 -3.578 -5.978 -8.181 -10.177 -13.463 -13.988 -14.463 -14.881 -15.238 -15.528 -15.745 -15.883 -15.937 -15.900 -15.768 -15.541 -15.217 -14.800 -14.292 -13.699 -13.028 -12.283 -11.468 -10.586 -9.637 45.636 38.151 31.424 25.543 20.401 15.874 11.850 8.233 4.945 1.927 -0.862 -3.449 -5.842 -8.043 -10.044 -13.385 -13.934 -14.436 -14.890 -15.290 -15.633 -15.914 -16.129 -16.271 -16.337 -16.323 -16.225 -16.043 -15.775 -15.424 -14.992 -14.482 -13.898 -13.243 -12.519 -11.729 45.967 38.733 32.100 26.264 21.152 16.654 12.665 9.094 5.865 2.917 0.205 -2.304 -4.630 -6.787 -8.783 -12.312 -12.947 -13.559 -14.148 -14.715 -15.258 -15.779 -16.277 -16.751 -17.202 -17.629 -18.030 -18.406 -18.756 -19.078 -19.373 -19.639 -19.876 -20.083 -20.260 -20.406 46.051 39.106 32.588 26.810 21.735 17.269 13.312 9.780 6.599 3.709 1.061 -1.379 -3.640 -5.737 -7.686 -11.182 -11.822 -12.445 -13.050 -13.639 -14.212 -14.769 -15.312 -15.840 -16.354 -16.855 -17.342 -17.817 -18.280 -18.730 -19.168 -19.594 -20.009 -20.412 -20.804 -21.185 45.939 39.314 32.927 27.218 22.186 17.753 13.829 10.332 7.192 4.350 1.757 -0.624 -2.824 -4.863 -6.758 -10.169 -10.798 -11.410 -12.007 -12.589 -13.157 -13.712 -14.254 -14.785 -15.304 -15.813 -16.312 -16.802 -17.283 -17.756 -18.221 -18.679 -19.130 -19.574 -20.013 -20.447 45.670 39.390 33.147 27.513 22.531 18.134 14.242 10.778 7.674 4.873 2.328 -0.002 -2.147 -4.131 -5.973 -9.290 -9.902 -10.498 -11.079 -11.647 -12.201 -12.743 -13.273 -13.793 -14.302 -14.801 -15.292 -15.774 -16.249 -16.716 -17.178 -17.633 -18.083 -18.528 -18.968 -19.405 45.275 39.356 33.267 27.717 22.788 18.430 14.571 11.139 8.068 5.304 2.799 0.515 -1.582 -3.517 -5.310 -8.533 -9.126 -9.705 -10.270 -10.821 -11.359 -11.885 -12.400 -12.904 -13.398 -13.883 -14.360 -14.828 -15.289 -15.743 -16.192 -16.634 -17.072 -17.504 -17.933 -18.359 44.775 39.233 33.306 27.844 22.972 18.656 14.831 11.429 8.390 5.658 3.190 0.945 -1.110 -3.000 -4.747 -7.881 -8.458 -9.020 -9.567 -10.102 -10.624 -11.134 -11.633 -12.121 -12.600 -13.069 -13.530 -13.983 -14.429 -14.868 -15.300 -15.728 -16.150 -16.568 -16.981 -17.391 44.187 39.036 33.274 27.905 23.093 18.821 15.031 11.661 8.651 5.950 3.514 1.304 -0.713 -2.563 -4.269 -7.320 -7.881 -8.427 -8.959 -9.478 -9.984 -10.479 -10.962 -11.435 -11.899 -12.353 -12.799 -13.237 -13.667 -14.091 -14.509 -14.921 -15.328 -15.730 -16.128 -16.523 99999.999 38.776 33.185 27.911 23.162 18.935 15.181 11.842 8.861 6.189 3.783 1.604 -0.379 -2.193 -3.862 -6.838 -7.384 -7.915 -8.432 -8.936 -9.428 -9.908 -10.377 -10.836 -11.285 -11.725 -12.157 -12.581 -12.997 -13.407 -13.810 -14.208 -14.601 -14.989 -15.373 -15.753 sudoite Mg2Al4Si3O18H8 P-T:All Wt.(g/mol) = 536.860 V(cc/mol) = 203.000 D(g/cc) = 2.645 Ref: H&P2011 5 2.000 10 4.000 8 3.000 7 6.000 2 -16.000 1 47.713 39.549 32.445 26.298 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.713 39.549 32.445 26.298 20.937 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.717 39.553 32.449 26.302 20.941 16.206 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.723 39.560 32.456 26.309 20.948 16.214 11.971 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.734 39.572 32.468 26.321 20.960 16.226 11.984 8.125 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.752 39.591 32.486 26.340 20.979 16.245 12.004 8.147 4.584 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.778 39.619 32.515 26.368 21.008 16.275 12.035 8.179 4.620 1.271 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.815 39.658 32.555 26.408 21.048 16.316 12.078 8.226 4.670 1.327 -1.897 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.865 39.713 32.610 26.463 21.104 16.373 12.138 8.289 4.739 1.404 -1.807 -4.982 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.931 39.784 32.682 26.536 21.177 16.448 12.216 8.372 4.830 1.506 -1.687 -4.835 -7.966 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.015 39.876 32.776 26.630 21.272 16.545 12.317 8.480 4.947 1.637 -1.534 -4.647 -7.745 -10.665 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.120 39.991 32.893 26.748 21.391 16.667 12.445 8.616 5.094 1.801 -1.341 -4.409 -7.454 -10.442 -12.516 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.199 40.078 32.982 26.838 21.482 16.760 12.542 8.719 5.206 1.926 -1.195 -4.229 -7.229 -10.210 -13.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.307 40.200 33.107 26.964 21.609 16.891 12.678 8.863 5.362 2.100 -0.992 -3.978 -6.910 -9.836 -12.991 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.411 40.317 33.228 27.086 21.733 17.018 12.810 9.004 5.514 2.268 -0.796 -3.737 -6.602 -9.448 -12.596 14.366 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.510 40.430 33.345 27.204 21.853 17.141 12.938 9.140 5.661 2.431 -0.607 -3.506 -6.306 -9.063 -12.095 -3.229 4.495 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.604 40.540 33.459 27.320 21.970 17.261 13.063 9.273 5.804 2.589 -0.426 -3.286 -6.025 -8.693 -11.568 -7.392 -4.556 0.380 7.536 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.694 40.645 33.569 27.432 22.084 17.378 13.185 9.401 5.943 2.743 -0.251 -3.075 -5.760 -8.343 -11.055 -9.212 -7.909 -5.656 -2.149 2.596 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.779 40.747 33.676 27.540 22.195 17.491 13.304 9.527 6.078 2.891 -0.082 -2.875 -5.511 -8.017 -10.573 -10.195 -9.584 -8.448 -6.625 -3.989 -0.590 3.221 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.860 40.845 33.779 27.646 22.302 17.602 13.419 9.649 6.209 3.035 0.081 -2.684 -5.277 -7.717 -10.133 -10.776 -10.544 -9.983 -9.001 -7.509 -5.457 -2.900 -0.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.938 40.940 33.879 27.749 22.407 17.710 13.531 9.768 6.337 3.175 0.237 -2.503 -5.059 -7.441 -9.739 -11.130 -11.134 -10.910 -10.405 -9.561 -8.329 -6.696 -4.705 -2.473 -0.164 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.011 41.031 33.977 27.849 22.509 17.815 13.640 9.884 6.461 3.311 0.388 -2.330 -4.855 -7.191 -9.392 -11.345 -11.505 -11.499 -11.291 -10.844 -10.122 -9.100 -7.778 -6.189 -4.409 -2.534 -0.659 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.080 41.120 34.071 27.946 22.609 17.917 13.747 9.996 6.582 3.442 0.534 -2.166 -4.665 -6.965 -9.092 -11.468 -11.738 -11.880 -11.871 -11.685 -11.296 -10.681 -9.829 -8.745 -7.454 -6.004 -4.455 -2.866 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.146 41.205 34.163 28.041 22.705 18.016 13.851 10.106 6.700 3.570 0.675 -2.009 -4.489 -6.761 -8.834 -11.528 -11.879 -12.127 -12.257 -12.250 -12.089 -11.755 -11.235 -10.522 -9.624 -8.559 -7.358 -6.060 -4.700 -3.306 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.208 41.287 34.251 28.132 22.799 18.113 13.952 10.213 6.815 3.695 0.811 -1.859 -4.323 -6.576 -8.615 -11.543 -11.954 -12.281 -12.512 -12.635 -12.636 -12.501 -12.219 -11.780 -11.183 -10.433 -9.544 -8.536 -7.434 -6.259 -5.030 99999.999 99999.999 99999.999 99999.999 99999.999 49.266 41.365 34.338 28.222 22.891 18.208 14.051 10.318 6.927 3.816 0.943 -1.716 -4.168 -6.408 -8.428 -11.525 -11.982 -12.369 -12.677 -12.896 -13.016 -13.027 -12.919 -12.683 -12.315 -11.814 -11.184 -10.435 -9.580 -8.634 -7.612 -6.524 -5.377 99999.999 99999.999 99999.999 49.322 41.442 34.421 28.309 22.981 18.300 14.147 10.420 7.036 3.934 1.070 -1.578 -4.021 -6.254 -8.268 -11.482 -11.976 -12.410 -12.776 -13.068 -13.278 -13.399 -13.422 -13.339 -13.146 -12.839 -12.419 -11.887 -11.251 -10.519 -9.702 -8.806 -7.841 -6.808 99999.999 99999.999 49.373 41.515 34.502 28.393 23.068 18.390 14.241 10.519 7.142 4.049 1.195 -1.445 -3.881 -6.111 -8.126 -11.421 -11.944 -12.414 -12.826 -13.175 -13.455 -13.660 -13.783 -13.818 -13.761 -13.606 -13.352 -12.999 -12.549 -12.006 -11.376 -10.665 -9.878 -9.019 -8.090 -7.093 49.422 41.585 34.580 28.475 23.153 18.478 14.333 10.616 7.246 4.161 1.315 -1.316 -3.745 -5.973 -7.993 -11.346 -11.893 -12.392 -12.840 -13.234 -13.568 -13.839 -14.040 -14.167 -14.216 -14.181 -14.061 -13.854 -13.559 -13.177 -12.712 -12.168 -11.546 -10.852 -10.088 -9.254 49.747 42.156 35.243 29.183 23.891 19.246 15.137 11.468 8.159 5.145 2.379 -0.173 -2.535 -4.718 -6.733 -10.282 -10.918 -11.531 -12.119 -12.684 -13.226 -13.743 -14.237 -14.707 -15.152 -15.571 -15.965 -16.333 -16.673 -16.986 -17.269 -17.524 -17.748 -17.941 -18.104 -18.235 49.827 42.520 35.720 29.718 24.463 19.850 15.775 12.146 8.886 5.931 3.232 0.749 -1.545 -3.668 -5.636 -9.153 -9.795 -10.418 -11.024 -11.613 -12.184 -12.740 -13.280 -13.806 -14.317 -14.813 -15.297 -15.767 -16.223 -16.668 -17.099 -17.519 -17.926 -18.322 -18.706 -19.079 49.714 42.720 36.050 30.115 24.904 20.325 16.283 12.690 9.472 6.567 3.924 1.502 -0.730 -2.794 -4.707 -8.138 -8.769 -9.382 -9.979 -10.561 -11.128 -11.682 -12.223 -12.751 -13.268 -13.773 -14.269 -14.755 -15.231 -15.699 -16.159 -16.611 -17.057 -17.496 -17.929 -18.356 49.445 42.789 36.260 30.402 25.239 20.698 16.688 13.129 9.948 7.086 4.490 2.121 -0.055 -2.063 -3.922 -7.257 -7.870 -8.467 -9.049 -9.616 -10.170 -10.711 -11.239 -11.756 -12.262 -12.759 -13.246 -13.724 -14.195 -14.658 -15.114 -15.564 -16.009 -16.449 -16.884 -17.314 49.050 42.750 36.373 30.597 25.488 20.986 17.010 13.483 10.336 7.511 4.957 2.634 0.508 -1.449 -3.258 -6.498 -7.093 -7.673 -8.237 -8.788 -9.325 -9.849 -10.362 -10.864 -11.355 -11.837 -12.310 -12.774 -13.231 -13.681 -14.124 -14.562 -14.994 -15.421 -15.844 -16.264 48.552 42.622 36.404 30.716 25.663 21.203 17.262 13.767 10.652 7.860 5.344 3.061 0.978 -0.933 -2.696 -5.845 -6.423 -6.985 -7.533 -8.066 -8.587 -9.095 -9.592 -10.078 -10.553 -11.019 -11.476 -11.925 -12.366 -12.800 -13.228 -13.650 -14.067 -14.479 -14.887 -15.291 47.967 42.420 36.366 30.770 25.778 21.362 17.456 13.992 10.908 8.147 5.664 3.417 1.372 -0.498 -2.219 -5.284 -5.845 -6.391 -6.922 -7.440 -7.945 -8.437 -8.918 -9.389 -9.849 -10.299 -10.741 -11.174 -11.600 -12.019 -12.432 -12.838 -13.240 -13.636 -14.028 -14.417 99999.999 42.157 36.271 30.769 25.839 21.469 17.600 14.168 11.113 8.382 5.928 3.713 1.703 -0.131 -1.813 -4.801 -5.347 -5.878 -6.394 -6.897 -7.387 -7.864 -8.331 -8.787 -9.232 -9.668 -10.096 -10.515 -10.926 -11.331 -11.729 -12.121 -12.508 -12.890 -13.268 -13.642 sulfur S P-T:All Wt.(g/mol) = 32.060 V(cc/mol) = 15.510 D(g/cc) = 2.067 Ref: H&P2011 4 -1.000 2 0.750 6 1.250 1 0.250 4 -11.314 -10.519 -9.929 -9.489 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.314 -10.519 -9.929 -9.489 -9.164 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.314 -10.518 -9.929 -9.489 -9.164 -8.932 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.313 -10.518 -9.928 -9.488 -9.163 -8.932 -8.778 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.311 -10.517 -9.927 -9.487 -9.162 -8.931 -8.777 -8.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.309 -10.515 -9.926 -9.486 -9.161 -8.929 -8.775 -8.689 -8.665 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.306 -10.512 -9.923 -9.483 -9.158 -8.926 -8.772 -8.686 -8.660 -8.696 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-10.487 -9.901 -9.462 -9.136 -8.902 -8.745 -8.654 -8.623 -8.649 -8.734 -8.888 -9.132 -9.519 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.258 -10.475 -9.891 -9.452 -9.126 -8.891 -8.733 -8.640 -8.606 -8.628 -8.707 -8.850 -9.075 -9.422 -10.058 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.247 -10.466 -9.883 -9.444 -9.118 -8.883 -8.723 -8.629 -8.593 -8.612 -8.687 -8.823 -9.034 -9.355 -9.907 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.230 -10.453 -9.871 -9.433 -9.106 -8.871 -8.710 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-7.685 -7.792 -7.819 -7.848 -7.878 -7.910 -7.943 -7.978 -8.014 -8.051 -8.090 -8.130 -8.171 -8.214 -8.257 -8.302 -8.348 -8.395 -8.443 -8.493 -8.543 -8.594 -10.294 -9.667 -9.148 -8.733 -8.406 -8.151 -7.955 -7.807 -7.698 -7.622 -7.573 -7.548 -7.542 -7.554 -7.581 -7.673 -7.697 -7.722 -7.749 -7.777 -7.807 -7.838 -7.871 -7.904 -7.939 -7.975 -8.013 -8.051 -8.091 -8.132 -8.174 -8.217 -8.261 -8.306 -8.352 -8.398 99999.999 -9.597 -9.083 -8.670 -8.344 -8.088 -7.890 -7.740 -7.629 -7.550 -7.498 -7.468 -7.458 -7.465 -7.486 -7.565 -7.586 -7.609 -7.633 -7.658 -7.685 -7.713 -7.743 -7.774 -7.805 -7.839 -7.873 -7.908 -7.945 -7.982 -8.021 -8.060 -8.101 -8.143 -8.185 -8.229 sulfur S P-T:All Wt.(g/mol) = 32.060 V(cc/mol) = 15.510 D(g/cc) = 2.067 Ref: H&P2011 4 -1.000 2 -1.500 31 2.000 1 1.000 4 102.760 93.219 84.900 77.596 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 102.760 93.219 84.900 77.596 71.122 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 102.762 93.220 84.902 77.597 71.124 65.331 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 102.765 93.223 84.904 77.600 71.126 65.334 60.103 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 102.770 93.228 84.909 77.604 71.130 65.338 60.107 55.341 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 102.778 93.236 84.916 77.611 71.137 65.345 60.114 55.349 50.968 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 102.791 93.247 84.927 77.622 71.147 65.355 60.125 55.360 50.980 46.913 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 102.809 93.264 84.942 77.636 71.162 65.369 60.140 55.376 50.997 46.932 43.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 102.835 93.287 84.964 77.657 71.182 65.389 60.160 55.397 51.021 46.959 43.144 39.501 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 102.868 93.317 84.992 77.684 71.209 65.416 60.188 55.426 51.052 46.995 43.187 39.558 36.011 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 102.912 93.357 85.029 77.720 71.243 65.451 60.223 55.464 51.093 47.041 43.242 39.629 36.116 32.543 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 102.968 93.408 85.077 77.766 71.288 65.496 60.269 55.511 51.144 47.099 43.311 39.718 36.241 32.757 28.843 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 103.012 93.447 85.114 77.801 71.323 65.530 60.304 55.548 51.184 47.143 43.363 39.783 36.332 32.902 29.198 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 103.074 93.503 85.166 77.851 71.372 65.579 60.354 55.600 51.239 47.205 43.435 39.873 36.455 33.089 29.566 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 103.136 93.559 85.219 77.901 71.420 65.627 60.403 55.651 51.294 47.265 43.505 39.959 36.568 33.255 29.857 20.833 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 103.198 93.615 85.271 77.951 71.469 65.675 60.451 55.702 51.348 47.324 43.573 40.042 36.675 33.406 30.104 23.307 21.034 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 103.259 93.670 85.322 78.000 71.517 65.723 60.500 55.751 51.400 47.382 43.639 40.120 36.775 33.544 30.320 24.043 22.447 20.535 18.124 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 103.320 93.725 85.373 78.049 71.564 65.770 60.547 55.800 51.452 47.438 43.703 40.196 36.870 33.671 30.511 24.480 23.099 21.589 19.878 17.886 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 103.381 93.780 85.424 78.097 71.611 65.816 60.594 55.849 51.503 47.494 43.765 40.268 36.959 33.789 30.683 24.799 23.523 22.182 20.744 19.167 17.415 15.474 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 103.441 93.834 85.475 78.146 71.658 65.863 60.641 55.897 51.554 47.548 43.825 40.338 37.044 33.899 30.838 25.053 23.841 22.593 21.291 19.915 18.440 16.848 15.135 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 103.501 93.888 85.525 78.193 71.704 65.909 60.687 55.944 51.603 47.601 43.884 40.406 37.125 34.001 30.978 25.268 24.099 22.910 21.689 20.426 19.104 17.712 16.239 14.685 13.062 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 103.560 93.942 85.575 78.241 71.751 65.954 60.732 55.991 51.652 47.653 43.941 40.471 37.202 34.096 31.106 25.454 24.317 23.169 22.003 20.811 19.584 18.313 16.990 15.610 14.177 12.698 11.189 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 103.620 93.995 85.625 78.288 71.796 65.999 60.778 56.037 51.700 47.705 43.998 40.534 37.276 34.186 31.223 25.620 24.508 23.390 22.264 21.122 19.958 18.766 17.541 16.279 14.977 13.639 12.272 10.887 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 103.679 94.048 85.674 78.335 71.842 66.044 60.822 56.083 51.748 47.755 44.052 40.596 37.347 34.270 31.329 25.771 24.678 23.584 22.487 21.382 20.264 19.129 17.972 16.790 15.581 14.345 13.086 11.809 10.523 9.238 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 103.737 94.101 85.723 78.382 71.887 66.088 60.867 56.128 51.795 47.805 44.106 40.655 37.415 34.350 31.428 25.909 24.832 23.758 22.684 21.607 20.523 19.430 18.322 17.199 16.058 14.897 13.720 12.528 11.326 10.122 8.922 99999.999 99999.999 99999.999 99999.999 99999.999 103.796 94.153 85.772 78.428 71.932 66.132 60.911 56.173 51.841 47.854 44.159 40.713 37.480 34.426 31.519 26.037 24.973 23.915 22.860 21.806 20.749 19.687 18.618 17.539 16.448 15.345 14.229 13.103 11.969 10.831 9.696 8.568 7.454 99999.999 99999.999 99999.999 103.854 94.206 85.821 78.474 71.976 66.176 60.954 56.217 51.887 47.902 44.211 40.770 37.543 34.498 31.604 26.156 25.104 24.060 23.021 21.985 20.950 19.913 18.874 17.829 16.777 15.717 14.650 13.575 12.495 11.413 10.331 9.255 8.189 7.137 99999.999 99999.999 103.911 94.258 85.869 78.520 72.020 66.219 60.998 56.261 51.933 47.950 44.262 40.825 37.604 34.567 31.684 26.269 25.227 24.194 23.168 22.147 21.130 20.115 19.099 18.082 17.061 16.036 15.007 13.973 12.937 11.899 10.863 9.830 8.806 7.793 6.795 5.816 103.969 94.309 85.917 78.566 72.064 66.262 61.041 56.305 51.977 47.997 44.312 40.880 37.664 34.634 31.760 26.375 25.342 24.319 23.304 22.297 21.295 20.297 19.301 18.306 17.311 16.314 15.316 14.315 13.314 12.313 11.314 10.319 9.331 8.352 7.386 6.435 104.530 94.814 86.385 79.009 72.490 66.678 61.453 56.719 52.401 48.437 44.775 41.374 38.200 35.221 32.413 27.221 26.240 25.275 24.325 23.390 22.469 21.560 20.662 19.776 18.900 18.033 17.176 16.327 15.487 14.655 13.831 13.014 12.206 11.405 10.613 9.829 105.070 95.298 86.833 79.431 72.895 67.071 61.840 57.105 52.791 48.835 45.188 41.807 38.657 35.710 32.940 27.850 26.894 25.957 25.037 24.133 23.245 22.372 21.514 20.669 19.836 19.017 18.208 17.412 16.626 15.850 15.085 14.329 13.583 12.846 12.118 11.399 105.592 95.766 87.265 79.838 73.283 67.446 62.207 57.468 53.155 49.204 45.565 42.197 39.064 36.137 33.393 28.367 27.426 26.505 25.602 24.717 23.849 22.996 22.159 21.337 20.528 19.733 18.951 18.181 17.423 16.677 15.942 15.217 14.502 13.798 13.103 12.417 106.101 96.220 87.684 80.231 73.657 67.807 62.558 57.814 53.498 49.549 45.916 42.555 39.434 36.522 33.795 28.813 27.883 26.972 26.081 25.208 24.352 23.513 22.690 21.882 21.088 20.309 19.543 18.790 18.050 17.321 16.604 15.898 15.203 14.518 13.843 13.178 106.598 96.663 88.091 80.612 74.020 68.155 62.896 58.145 53.826 49.876 46.245 42.890 39.776 36.875 34.160 29.210 28.287 27.384 26.501 25.637 24.790 23.960 23.146 22.348 21.565 20.796 20.041 19.300 18.571 17.855 17.150 16.457 15.775 15.103 14.442 13.790 107.087 97.096 88.488 80.984 74.372 68.493 63.223 58.465 54.141 50.189 46.558 43.206 40.097 37.202 34.496 29.570 28.652 27.756 26.878 26.020 25.180 24.356 23.550 22.759 21.983 21.222 20.476 19.742 19.022 18.314 17.618 16.934 16.261 15.599 14.947 14.305 107.568 97.522 88.878 81.347 74.716 68.822 63.541 58.774 54.444 50.489 46.857 43.506 40.400 37.510 34.811 29.901 28.988 28.096 27.223 26.369 25.534 24.715 23.914 23.129 22.359 21.604 20.863 20.135 19.421 18.720 18.031 17.353 16.687 16.032 15.387 14.752 99999.999 97.941 89.260 81.703 75.052 69.143 63.850 59.075 54.739 50.779 47.145 43.793 40.689 37.802 35.107 30.210 29.300 28.411 27.542 26.691 25.859 25.045 24.248 23.466 22.701 21.950 21.214 20.491 19.782 19.085 18.401 17.728 17.067 16.417 15.777 15.148 sylvite KCl P-T:All Wt.(g/mol) = 74.550 V(cc/mol) = 37.520 D(g/cc) = 1.987 Ref: H&P2011 2 1.000 12 1.000 3 0.589 0.904 1.112 1.248 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.589 0.904 1.112 1.248 1.330 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.590 0.904 1.113 1.249 1.330 1.368 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.590 0.905 1.113 1.249 1.331 1.368 1.368 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.591 0.906 1.114 1.250 1.331 1.369 1.369 1.335 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.593 0.907 1.115 1.251 1.332 1.370 1.370 1.337 1.270 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.596 0.909 1.116 1.252 1.334 1.372 1.372 1.339 1.273 1.173 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.600 0.912 1.119 1.254 1.336 1.374 1.375 1.342 1.277 1.178 1.039 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.605 0.916 1.122 1.257 1.339 1.377 1.379 1.346 1.282 1.185 1.048 0.860 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.612 0.921 1.126 1.261 1.343 1.382 1.384 1.352 1.290 1.194 1.061 0.879 0.625 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.621 0.927 1.132 1.267 1.348 1.387 1.390 1.360 1.299 1.206 1.077 0.902 0.662 0.307 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.633 0.935 1.139 1.273 1.355 1.395 1.398 1.369 1.310 1.221 1.096 0.930 0.705 0.386 -0.179 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.641 0.942 1.144 1.278 1.360 1.400 1.404 1.377 1.319 1.232 1.111 0.951 0.737 0.439 -0.049 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.654 0.951 1.152 1.286 1.368 1.408 1.413 1.387 1.331 1.247 1.131 0.979 0.779 0.508 0.090 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.666 0.959 1.159 1.293 1.375 1.416 1.422 1.397 1.343 1.262 1.151 1.005 0.818 0.569 0.201 -1.370 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.677 0.968 1.167 1.300 1.382 1.423 1.430 1.407 1.355 1.276 1.169 1.030 0.853 0.623 0.295 -0.508 -1.025 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.689 0.977 1.174 1.307 1.389 1.431 1.439 1.416 1.366 1.290 1.187 1.054 0.886 0.673 0.378 -0.257 -0.535 -0.936 -1.540 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.700 0.985 1.181 1.314 1.396 1.438 1.447 1.426 1.377 1.303 1.204 1.076 0.917 0.718 0.450 -0.107 -0.311 -0.568 -0.908 -1.365 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.711 0.993 1.189 1.320 1.403 1.445 1.455 1.435 1.388 1.317 1.220 1.097 0.946 0.759 0.515 0.003 -0.165 -0.363 -0.604 -0.904 -1.280 -1.743 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.722 1.001 1.196 1.327 1.410 1.453 1.463 1.444 1.399 1.329 1.236 1.117 0.973 0.796 0.572 0.090 -0.055 -0.220 -0.413 -0.640 -0.911 -1.236 -1.618 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.732 1.009 1.203 1.334 1.416 1.460 1.470 1.453 1.409 1.341 1.251 1.137 0.998 0.831 0.623 0.164 0.035 -0.110 -0.274 -0.461 -0.676 -0.925 -1.213 -1.541 -1.907 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.742 1.017 1.209 1.340 1.423 1.467 1.478 1.461 1.419 1.353 1.265 1.155 1.021 0.862 0.669 0.228 0.110 -0.020 -0.164 -0.325 -0.506 -0.711 -0.942 -1.202 -1.491 -1.806 -2.142 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.752 1.025 1.216 1.346 1.429 1.474 1.486 1.470 1.429 1.365 1.279 1.172 1.044 0.891 0.710 0.285 0.176 0.057 -0.074 -0.217 -0.375 -0.550 -0.744 -0.960 -1.197 -1.456 -1.734 -2.027 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.762 1.032 1.223 1.353 1.436 1.480 1.493 1.478 1.439 1.376 1.293 1.189 1.064 0.918 0.747 0.336 0.234 0.124 0.004 -0.126 -0.267 -0.422 -0.591 -0.777 -0.979 -1.198 -1.432 -1.681 -1.940 -2.205 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.772 1.039 1.229 1.359 1.442 1.487 1.500 1.486 1.448 1.387 1.306 1.205 1.084 0.943 0.779 0.383 0.287 0.183 0.072 -0.047 -0.176 -0.316 -0.467 -0.631 -0.807 -0.997 -1.201 -1.415 -1.640 -1.872 -2.109 99999.999 99999.999 99999.999 99999.999 99999.999 0.781 1.047 1.236 1.365 1.448 1.494 1.508 1.494 1.457 1.398 1.319 1.220 1.103 0.966 0.809 0.427 0.335 0.238 0.133 0.022 -0.097 -0.225 -0.362 -0.510 -0.668 -0.836 -1.016 -1.205 -1.403 -1.608 -1.819 -2.031 -2.244 99999.999 99999.999 99999.999 0.790 1.054 1.242 1.372 1.455 1.500 1.515 1.502 1.466 1.409 1.331 1.235 1.121 0.988 0.836 0.467 0.379 0.287 0.189 0.084 -0.027 -0.146 -0.272 -0.407 -0.550 -0.703 -0.864 -1.033 -1.211 -1.394 -1.583 -1.775 -1.968 -2.161 99999.999 99999.999 0.799 1.061 1.248 1.378 1.461 1.507 1.522 1.510 1.475 1.419 1.343 1.249 1.138 1.009 0.861 0.504 0.421 0.333 0.239 0.141 0.036 -0.075 -0.193 -0.317 -0.449 -0.589 -0.736 -0.890 -1.050 -1.217 -1.388 -1.563 -1.739 -1.916 -2.092 -2.265 0.808 1.068 1.255 1.384 1.467 1.513 1.529 1.518 1.484 1.429 1.355 1.263 1.154 1.028 0.885 0.540 0.459 0.375 0.286 0.192 0.093 -0.011 -0.121 -0.238 -0.361 -0.490 -0.625 -0.767 -0.914 -1.067 -1.224 -1.384 -1.546 -1.710 -1.873 -2.034 0.885 1.132 1.313 1.440 1.524 1.573 1.594 1.589 1.564 1.521 1.461 1.385 1.296 1.194 1.079 0.813 0.753 0.692 0.628 0.562 0.494 0.423 0.350 0.275 0.197 0.116 0.034 -0.051 -0.138 -0.228 -0.319 -0.412 -0.507 -0.603 -0.701 -0.799 0.947 1.187 1.366 1.492 1.577 1.628 1.652 1.653 1.635 1.599 1.549 1.485 1.410 1.323 1.227 1.005 0.957 0.907 0.855 0.802 0.747 0.692 0.634 0.575 0.515 0.453 0.390 0.325 0.259 0.191 0.123 0.053 -0.018 -0.090 -0.164 -0.238 0.997 1.236 1.413 1.540 1.626 1.679 1.706 1.711 1.698 1.669 1.626 1.571 1.506 1.431 1.347 1.156 1.114 1.072 1.028 0.983 0.937 0.889 0.841 0.792 0.741 0.690 0.637 0.584 0.529 0.474 0.417 0.360 0.301 0.242 0.182 0.121 1.038 1.278 1.457 1.585 1.672 1.727 1.756 1.764 1.755 1.731 1.694 1.647 1.589 1.523 1.449 1.281 1.244 1.206 1.168 1.128 1.088 1.047 1.005 0.962 0.918 0.874 0.828 0.782 0.735 0.687 0.638 0.588 0.538 0.487 0.435 0.383 1.070 1.316 1.497 1.626 1.715 1.772 1.804 1.814 1.809 1.789 1.757 1.714 1.663 1.604 1.538 1.387 1.354 1.321 1.286 1.251 1.215 1.178 1.141 1.102 1.063 1.024 0.983 0.942 0.900 0.858 0.815 0.771 0.726 0.681 0.635 0.589 1.097 1.351 1.535 1.666 1.756 1.815 1.848 1.862 1.858 1.842 1.814 1.776 1.730 1.677 1.617 1.480 1.451 1.420 1.389 1.357 1.324 1.291 1.257 1.222 1.187 1.151 1.114 1.077 1.039 1.001 0.962 0.922 0.882 0.841 0.799 0.757 1.118 1.382 1.570 1.703 1.795 1.856 1.891 1.906 1.906 1.892 1.867 1.833 1.792 1.743 1.688 1.563 1.536 1.508 1.479 1.450 1.420 1.389 1.358 1.327 1.294 1.261 1.228 1.193 1.159 1.123 1.087 1.051 1.014 0.976 0.938 0.900 99999.999 1.411 1.603 1.738 1.833 1.895 1.932 1.949 1.951 1.939 1.917 1.887 1.849 1.804 1.754 1.638 1.613 1.587 1.560 1.533 1.506 1.477 1.448 1.419 1.389 1.358 1.327 1.295 1.263 1.230 1.197 1.163 1.129 1.094 1.058 1.022 talc Mg3Si4O12H2 Ssln ID, Coef: 7 3.000 P-T:All Wt.(g/mol) = 379.290 V(cc/mol) = 136.650 D(g/cc) = 2.776 Ref: H&P2011 4 3.000 10 4.000 7 -6.000 1 -4.000 2 26.322 23.384 20.726 18.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.322 23.384 20.726 18.419 16.427 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.323 23.386 20.728 18.421 16.429 14.700 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.326 23.389 20.731 18.424 16.432 14.703 13.185 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.329 23.393 20.736 18.429 16.438 14.709 13.191 11.841 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.335 23.401 20.744 18.438 16.446 14.718 13.201 11.851 10.631 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.344 23.412 20.757 18.450 16.459 14.731 13.215 11.866 10.647 9.520 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.356 23.428 20.774 18.468 16.478 14.750 13.235 11.888 10.671 9.546 8.475 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.372 23.449 20.797 18.492 16.503 14.776 13.263 11.917 10.703 9.582 8.517 7.465 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.393 23.477 20.827 18.524 16.536 14.811 13.299 11.956 10.745 9.629 8.572 7.532 6.481 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.418 23.511 20.865 18.564 16.578 14.855 13.345 12.006 10.799 9.690 8.642 7.618 6.586 5.554 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.448 23.554 20.913 18.614 16.630 14.909 13.403 12.068 10.866 9.765 8.730 7.725 6.719 5.693 4.784 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.469 23.585 20.948 18.652 16.669 14.950 13.446 12.114 10.917 9.822 8.795 7.805 6.821 5.812 4.735 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.495 23.627 20.996 18.703 16.723 15.007 13.507 12.179 10.988 9.900 8.887 7.917 6.961 5.986 4.874 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.518 23.665 21.041 18.751 16.774 15.061 13.564 12.241 11.055 9.976 8.974 8.023 7.096 6.159 5.083 11.611 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.538 23.701 21.083 18.797 16.823 15.113 13.620 12.301 11.120 10.048 9.058 8.124 7.223 6.325 5.309 7.347 9.169 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.553 23.734 21.123 18.841 16.869 15.162 13.673 12.358 11.183 10.118 9.138 8.220 7.344 6.483 5.533 6.388 7.020 8.150 9.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.566 23.763 21.160 18.882 16.914 15.210 13.723 12.413 11.243 10.185 9.214 8.311 7.457 6.631 5.746 6.011 6.268 6.754 7.531 8.568 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.575 23.790 21.194 18.921 16.956 15.255 13.772 12.465 11.301 10.249 9.288 8.398 7.564 6.769 5.944 5.839 5.930 6.146 6.525 7.090 7.811 8.583 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.581 23.814 21.226 18.957 16.995 15.298 13.818 12.516 11.356 10.311 9.358 8.480 7.664 6.896 6.125 5.763 5.764 5.844 6.024 6.322 6.746 7.272 7.842 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.584 23.836 21.255 18.991 17.033 15.338 13.863 12.564 11.410 10.370 9.425 8.558 7.758 7.014 6.288 5.738 5.685 5.687 5.755 5.903 6.139 6.464 6.860 7.294 7.720 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.583 23.855 21.283 19.023 17.069 15.377 13.905 12.611 11.461 10.427 9.489 8.632 7.846 7.121 6.433 5.745 5.657 5.609 5.609 5.665 5.785 5.972 6.225 6.531 6.869 7.213 7.539 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.580 23.871 21.308 19.053 17.102 15.414 13.945 12.655 11.510 10.482 9.551 8.703 7.928 7.219 6.561 5.771 5.659 5.578 5.534 5.531 5.575 5.671 5.820 6.019 6.260 6.530 6.812 7.092 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.574 23.885 21.331 19.081 17.134 15.450 13.984 12.698 11.557 10.534 9.610 8.770 8.004 7.309 6.674 5.809 5.681 5.578 5.503 5.460 5.453 5.486 5.562 5.680 5.839 6.032 6.251 6.486 6.730 6.975 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.565 23.897 21.351 19.107 17.164 15.483 14.021 12.739 11.602 10.585 9.666 8.833 8.076 7.391 6.772 5.856 5.716 5.597 5.500 5.429 5.387 5.376 5.399 5.458 5.552 5.680 5.837 6.018 6.218 6.431 6.654 99999.999 99999.999 99999.999 99999.999 99999.999 26.554 23.906 21.370 19.132 17.192 15.514 14.056 12.778 11.646 10.633 9.721 8.894 8.144 7.467 6.859 5.909 5.760 5.629 5.517 5.425 5.357 5.315 5.301 5.315 5.360 5.435 5.539 5.668 5.820 5.992 6.180 6.383 6.601 99999.999 99999.999 99999.999 26.540 23.913 21.387 19.154 17.218 15.544 14.090 12.815 11.688 10.680 9.773 8.951 8.208 7.537 6.936 5.966 5.810 5.670 5.546 5.440 5.354 5.288 5.246 5.228 5.235 5.268 5.328 5.412 5.521 5.650 5.800 5.968 6.153 6.355 99999.999 99999.999 26.523 23.918 21.402 19.174 17.243 15.573 14.121 12.851 11.728 10.725 9.823 9.007 8.268 7.602 7.005 6.025 5.864 5.718 5.585 5.468 5.368 5.285 5.222 5.179 5.157 5.159 5.183 5.230 5.300 5.391 5.503 5.634 5.785 5.954 6.142 6.349 26.504 23.921 21.414 19.193 17.266 15.599 14.152 12.885 11.766 10.768 9.871 9.060 8.326 7.664 7.070 6.085 5.921 5.770 5.631 5.506 5.395 5.299 5.220 5.158 5.114 5.090 5.086 5.103 5.140 5.198 5.276 5.373 5.490 5.626 5.780 5.954 26.191 23.846 21.450 19.294 17.414 15.787 14.376 13.147 12.069 11.115 10.264 9.501 8.814 8.194 7.636 6.679 6.511 6.350 6.196 6.048 5.907 5.773 5.645 5.523 5.407 5.298 5.195 5.099 5.010 4.927 4.853 4.785 4.725 4.674 4.630 4.595 25.688 23.610 21.340 19.262 17.436 15.853 14.481 13.290 12.250 11.336 10.528 9.807 9.163 8.585 8.065 7.175 7.018 6.867 6.722 6.582 6.447 6.318 6.193 6.072 5.955 5.843 5.734 5.629 5.527 5.429 5.334 5.242 5.154 5.069 4.986 4.907 25.035 23.245 21.115 19.122 17.358 15.822 14.492 13.339 12.337 11.461 10.690 10.009 9.404 8.865 8.383 7.564 7.420 7.281 7.149 7.021 6.898 6.780 6.666 6.555 6.449 6.345 6.245 6.148 6.053 5.961 5.872 5.784 5.698 5.614 5.532 5.452 24.260 22.775 20.795 18.895 17.197 15.713 14.426 13.313 12.347 11.507 10.773 10.129 9.560 9.057 8.611 7.859 7.728 7.603 7.483 7.368 7.257 7.151 7.049 6.951 6.856 6.764 6.676 6.590 6.506 6.425 6.346 6.268 6.193 6.118 6.045 5.973 23.384 22.217 20.395 18.594 16.966 15.537 14.296 13.223 12.294 11.489 10.790 10.180 9.646 9.177 8.764 8.077 7.959 7.846 7.738 7.635 7.537 7.443 7.352 7.266 7.183 7.103 7.026 6.951 6.879 6.809 6.741 6.675 6.610 6.547 6.485 6.424 22.423 21.585 19.929 18.231 16.677 15.306 14.112 13.080 12.188 11.418 10.753 10.176 9.675 9.238 8.856 8.230 8.124 8.022 7.926 7.835 7.748 7.665 7.586 7.510 7.438 7.369 7.303 7.240 7.179 7.120 7.063 7.007 6.953 6.901 6.850 6.800 21.389 20.890 19.404 17.815 16.338 15.026 13.882 12.892 12.038 11.302 10.669 10.124 9.654 9.248 8.896 8.328 8.233 8.142 8.057 7.977 7.900 7.828 7.760 7.695 7.633 7.574 7.519 7.465 7.414 7.366 7.319 7.274 7.230 7.188 7.146 7.106 99999.999 20.140 18.830 17.352 15.955 14.705 13.611 12.664 11.848 11.147 10.547 10.032 9.592 9.215 8.892 8.379 8.294 8.214 8.139 8.069 8.003 7.941 7.882 7.827 7.775 7.726 7.680 7.636 7.595 7.556 7.518 7.482 7.448 7.415 7.383 7.352 talc-Fe Fe3Si4O12H2 Ssln ID, Coef: 7 3.000 P-T:All Wt.(g/mol) = 473.890 V(cc/mol) = 142.250 D(g/cc) = 3.331 Ref: H&P2011 4 3.000 11 4.000 7 -4.000 2 -6.000 1 22.180 19.612 17.252 15.182 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.180 19.612 17.252 15.182 13.379 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.181 19.614 17.254 15.184 13.381 11.803 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.184 19.617 17.257 15.187 13.385 11.807 10.410 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.188 19.622 17.263 15.193 13.391 11.813 10.416 9.163 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.194 19.631 17.272 15.202 13.400 11.823 10.427 9.174 8.031 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.204 19.643 17.285 15.216 13.414 11.837 10.442 9.190 8.048 6.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.218 19.661 17.304 15.236 13.434 11.858 10.463 9.213 8.073 7.010 5.989 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.237 19.685 17.330 15.262 13.461 11.886 10.492 9.244 8.106 7.047 6.032 5.020 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.260 19.716 17.363 15.297 13.497 11.923 10.531 9.284 8.150 7.096 6.088 5.088 4.066 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.290 19.755 17.406 15.341 13.543 11.970 10.580 9.337 8.206 7.158 6.159 5.174 4.172 3.150 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.325 19.803 17.459 15.397 13.600 12.029 10.642 9.402 8.277 7.236 6.248 5.282 4.306 3.295 2.345 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.350 19.838 17.498 15.438 13.643 12.074 10.689 9.451 8.330 7.294 6.316 5.363 4.407 3.416 2.332 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.382 19.886 17.552 15.495 13.702 12.135 10.753 9.520 8.404 7.376 6.409 5.475 4.547 3.591 2.487 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.411 19.931 17.604 15.549 13.759 12.194 10.816 9.586 8.475 7.454 6.498 5.582 4.681 3.762 2.700 8.034 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.435 19.973 17.652 15.601 13.813 12.251 10.875 9.650 8.543 7.529 6.584 5.684 4.808 3.927 2.925 4.476 5.955 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.457 20.012 17.697 15.650 13.865 12.305 10.933 9.711 8.609 7.602 6.666 5.781 4.929 4.083 3.145 3.688 4.172 5.069 6.329 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.475 20.047 17.740 15.697 13.914 12.357 10.988 9.769 8.673 7.671 6.744 5.874 5.042 4.229 3.354 3.392 3.562 3.922 4.521 5.321 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.489 20.080 17.780 15.741 13.961 12.407 11.040 9.826 8.734 7.738 6.820 5.962 5.150 4.366 3.547 3.269 3.299 3.435 3.704 4.124 4.665 5.228 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.500 20.110 17.818 15.783 14.006 12.455 11.091 9.880 8.792 7.803 6.892 6.045 5.250 4.492 3.724 3.225 3.181 3.203 3.307 3.509 3.811 4.191 4.595 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.508 20.137 17.854 15.823 14.049 12.500 11.140 9.933 8.849 7.865 6.962 6.125 5.345 4.609 3.884 3.224 3.136 3.092 3.104 3.181 3.331 3.550 3.824 4.121 4.401 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.513 20.162 17.887 15.861 14.090 12.544 11.187 9.983 8.904 7.925 7.029 6.201 5.433 4.717 4.027 3.249 3.132 3.048 3.003 3.005 3.058 3.167 3.327 3.528 3.749 3.969 4.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.515 20.184 17.917 15.896 14.129 12.586 11.231 10.031 8.956 7.983 7.092 6.273 5.516 4.815 4.155 3.289 3.152 3.042 2.961 2.914 2.906 2.940 3.016 3.133 3.281 3.449 3.622 3.790 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.515 20.204 17.946 15.929 14.165 12.626 11.274 10.078 9.007 8.038 7.154 6.342 5.595 4.906 4.267 3.339 3.189 3.060 2.954 2.875 2.825 2.808 2.825 2.877 2.961 3.071 3.199 3.339 3.482 3.624 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.511 20.222 17.972 15.961 14.200 12.664 11.315 10.122 9.055 8.091 7.213 6.408 5.668 4.990 4.366 3.395 3.236 3.094 2.971 2.869 2.790 2.738 2.713 2.716 2.749 2.807 2.889 2.988 3.102 3.224 3.354 99999.999 99999.999 99999.999 99999.999 99999.999 22.505 20.237 17.996 15.990 14.233 12.700 11.355 10.165 9.102 8.143 7.270 6.470 5.737 5.067 4.454 3.456 3.290 3.139 3.003 2.885 2.786 2.708 2.652 2.620 2.613 2.630 2.670 2.730 2.808 2.901 3.007 3.124 3.253 99999.999 99999.999 99999.999 22.496 20.249 18.019 16.018 14.265 12.734 11.392 10.206 9.147 8.192 7.324 6.530 5.803 5.138 4.533 3.519 3.349 3.190 3.046 2.916 2.802 2.705 2.627 2.569 2.531 2.515 2.520 2.545 2.589 2.651 2.728 2.820 2.926 3.047 99999.999 99999.999 22.484 20.260 18.039 16.044 14.294 12.767 11.428 10.246 9.191 8.240 7.377 6.588 5.866 5.206 4.605 3.584 3.410 3.247 3.095 2.957 2.832 2.721 2.627 2.549 2.488 2.446 2.423 2.419 2.433 2.464 2.513 2.577 2.658 2.754 2.866 2.995 22.470 20.268 18.057 16.067 14.322 12.798 11.463 10.284 9.232 8.286 7.427 6.643 5.926 5.270 4.673 3.649 3.473 3.306 3.150 3.005 2.872 2.751 2.644 2.551 2.473 2.411 2.366 2.337 2.325 2.330 2.352 2.390 2.445 2.515 2.601 2.705 22.204 20.246 18.145 16.219 14.518 13.030 11.728 10.583 9.569 8.662 7.846 7.107 6.434 5.819 5.258 4.274 4.097 3.926 3.761 3.602 3.448 3.300 3.156 3.018 2.886 2.758 2.636 2.520 2.409 2.305 2.206 2.114 2.028 1.949 1.878 1.813 21.745 20.060 18.086 16.235 14.586 13.139 11.873 10.762 9.783 8.913 8.136 7.436 6.803 6.227 5.703 4.787 4.621 4.461 4.307 4.156 4.011 3.869 3.732 3.598 3.468 3.341 3.217 3.097 2.979 2.865 2.753 2.644 2.538 2.434 2.333 2.235 21.134 19.743 17.909 16.141 14.551 13.149 11.922 10.847 9.902 9.067 8.325 7.661 7.065 6.526 6.037 5.188 5.036 4.889 4.746 4.608 4.475 4.345 4.219 4.096 3.976 3.860 3.746 3.635 3.525 3.419 3.314 3.211 3.109 3.009 2.911 2.814 20.399 19.319 17.635 15.959 14.432 13.080 11.893 10.855 9.944 9.143 8.434 7.804 7.242 6.737 6.281 5.497 5.357 5.222 5.092 4.966 4.845 4.727 4.613 4.502 4.394 4.289 4.186 4.086 3.989 3.893 3.799 3.706 3.615 3.525 3.436 3.349 19.561 18.805 17.280 15.702 14.243 12.943 11.800 10.799 9.923 9.154 8.478 7.880 7.350 6.876 6.452 5.728 5.600 5.477 5.358 5.244 5.134 5.028 4.925 4.825 4.729 4.635 4.544 4.455 4.368 4.284 4.201 4.119 4.039 3.960 3.882 3.806 18.636 18.217 16.857 15.381 13.995 12.750 11.652 10.690 9.848 9.112 8.467 7.900 7.400 6.956 6.562 5.895 5.778 5.666 5.558 5.455 5.356 5.260 5.168 5.079 4.993 4.910 4.829 4.751 4.675 4.600 4.528 4.457 4.387 4.319 4.251 4.185 17.638 17.563 16.376 15.006 13.695 12.508 11.457 10.535 9.729 9.025 8.411 7.873 7.402 6.987 6.621 6.007 5.901 5.799 5.702 5.609 5.520 5.434 5.352 5.273 5.197 5.123 5.053 4.984 4.917 4.853 4.790 4.729 4.669 4.610 4.552 4.495 99999.999 16.855 15.843 14.584 13.351 12.224 11.221 10.340 9.570 8.899 8.315 7.806 7.363 6.975 6.635 6.074 5.977 5.885 5.798 5.714 5.634 5.558 5.485 5.416 5.349 5.285 5.223 5.163 5.106 5.050 4.996 4.943 4.892 4.842 4.793 4.745 talc-prl Al2Si4O12H2 skip P-T:All Wt.(g/mol) = 360.307 V(cc/mol) = 134.500 D(g/cc) = 2.679 Ref: H&P2011 4 2.000 8 4.000 7 -4.000 2 -6.000 1 -1.828 -3.305 -4.781 -6.126 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.828 -3.305 -4.781 -6.126 -7.329 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.827 -3.303 -4.779 -6.124 -7.327 -8.407 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.824 -3.299 -4.775 -6.120 -7.323 -8.403 -9.386 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.818 -3.292 -4.768 -6.113 -7.316 -8.395 -9.378 -10.290 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.810 -3.282 -4.757 -6.102 -7.304 -8.384 -9.366 -10.277 -11.138 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.799 -3.267 -4.741 -6.085 -7.287 -8.366 -9.348 -10.257 -11.117 -11.952 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.782 -3.246 -4.719 -6.062 -7.263 -8.341 -9.322 -10.230 -11.088 -11.920 -12.759 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.759 -3.217 -4.687 -6.030 -7.230 -8.307 -9.287 -10.193 -11.048 -11.876 -12.708 -13.577 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.730 -3.179 -4.647 -5.987 -7.187 -8.263 -9.240 -10.143 -10.995 -11.818 -12.642 -13.498 -14.399 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.694 -3.131 -4.594 -5.933 -7.131 -8.205 -9.180 -10.080 -10.927 -11.743 -12.556 -13.396 -14.280 -15.153 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.650 -3.072 -4.529 -5.865 -7.061 -8.133 -9.105 -10.000 -10.841 -11.649 -12.449 -13.268 -14.126 -15.016 -15.632 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.618 -3.027 -4.481 -5.814 -7.009 -8.079 -9.048 -9.940 -10.777 -11.578 -12.368 -13.171 -14.008 -14.888 -15.790 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.575 -2.966 -4.413 -5.744 -6.936 -8.003 -8.969 -9.856 -10.687 -11.480 -12.256 -13.037 -13.843 -14.693 -15.694 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.536 -2.909 -4.349 -5.676 -6.865 -7.930 -8.892 -9.775 -10.600 -11.384 -12.148 -12.908 -13.683 -14.495 -15.480 -4.659 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.501 -2.855 -4.287 -5.610 -6.797 -7.859 -8.818 -9.697 -10.515 -11.292 -12.043 -12.785 -13.530 -14.302 -15.230 -11.392 -8.358 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.469 -2.804 -4.228 -5.548 -6.732 -7.791 -8.746 -9.621 -10.434 -11.203 -11.943 -12.667 -13.385 -14.116 -14.974 -12.928 -11.776 -9.821 -7.016 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.441 -2.755 -4.172 -5.488 -6.669 -7.725 -8.677 -9.547 -10.355 -11.117 -11.846 -12.554 -13.247 -13.941 -14.727 -13.567 -13.000 -12.074 -10.672 -8.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.417 -2.710 -4.119 -5.430 -6.608 -7.662 -8.610 -9.476 -10.279 -11.034 -11.753 -12.446 -13.117 -13.777 -14.495 -13.889 -13.583 -13.082 -12.323 -11.258 -9.905 -8.400 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.395 -2.668 -4.068 -5.375 -6.550 -7.600 -8.546 -9.408 -10.205 -10.954 -11.664 -12.343 -12.995 -13.624 -14.282 -14.059 -13.896 -13.612 -13.171 -12.541 -11.701 -10.672 -9.529 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.377 -2.628 -4.020 -5.322 -6.494 -7.541 -8.483 -9.341 -10.134 -10.876 -11.578 -12.245 -12.880 -13.483 -14.089 -14.146 -14.070 -13.912 -13.651 -13.265 -12.736 -12.057 -11.247 -10.348 -9.423 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.362 -2.591 -3.974 -5.272 -6.440 -7.485 -8.423 -9.277 -10.065 -10.801 -11.495 -12.152 -12.771 -13.353 -13.917 -14.183 -14.164 -14.086 -13.936 -13.699 -13.361 -12.913 -12.355 -11.698 -10.972 -10.212 -9.456 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.350 -2.557 -3.931 -5.223 -6.388 -7.430 -8.365 -9.215 -9.998 -10.728 -11.415 -12.063 -12.670 -13.234 -13.765 -14.187 -14.207 -14.184 -14.107 -13.966 -13.753 -13.458 -13.076 -12.609 -12.066 -11.466 -10.830 -10.181 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.340 -2.525 -3.889 -5.177 -6.339 -7.377 -8.309 -9.155 -9.933 -10.658 -11.338 -11.977 -12.575 -13.125 -13.631 -14.168 -14.218 -14.232 -14.206 -14.132 -14.003 -13.812 -13.554 -13.226 -12.830 -12.374 -11.868 -11.327 -10.764 -10.189 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.334 -2.495 -3.850 -5.133 -6.291 -7.326 -8.255 -9.097 -9.870 -10.590 -11.264 -11.896 -12.485 -13.025 -13.514 -14.134 -14.205 -14.248 -14.258 -14.231 -14.161 -14.044 -13.874 -13.647 -13.364 -13.025 -12.636 -12.204 -11.737 -11.244 -10.730 99999.999 99999.999 99999.999 99999.999 99999.999 -1.330 -2.468 -3.814 -5.091 -6.245 -7.277 -8.202 -9.041 -9.810 -10.524 -11.192 -11.818 -12.400 -12.933 -13.412 -14.090 -14.176 -14.240 -14.278 -14.285 -14.259 -14.195 -14.088 -13.937 -13.739 -13.492 -13.199 -12.863 -12.489 -12.081 -11.645 -11.184 -10.700 99999.999 99999.999 99999.999 -1.329 -2.444 -3.779 -5.051 -6.201 -7.230 -8.152 -8.986 -9.751 -10.460 -11.123 -11.743 -12.319 -12.847 -13.321 -14.037 -14.136 -14.216 -14.274 -14.307 -14.314 -14.289 -14.231 -14.135 -14.001 -13.827 -13.611 -13.356 -13.063 -12.735 -12.375 -11.987 -11.571 -11.130 99999.999 99999.999 -1.331 -2.421 -3.746 -5.012 -6.159 -7.184 -8.103 -8.934 -9.694 -10.398 -11.056 -11.671 -12.242 -12.766 -13.238 -13.980 -14.088 -14.180 -14.254 -14.307 -14.338 -14.343 -14.321 -14.269 -14.184 -14.065 -13.912 -13.722 -13.498 -13.240 -12.951 -12.631 -12.282 -11.907 -11.504 -11.075 -1.335 -2.401 -3.715 -4.976 -6.118 -7.140 -8.056 -8.883 -9.639 -10.339 -10.991 -11.601 -12.168 -12.689 -13.160 -13.918 -14.034 -14.135 -14.221 -14.290 -14.340 -14.368 -14.374 -14.355 -14.309 -14.234 -14.129 -13.993 -13.826 -13.628 -13.399 -13.142 -12.856 -12.542 -12.202 -11.835 -1.501 -2.305 -3.506 -4.702 -5.801 -6.787 -7.668 -8.459 -9.175 -9.831 -10.436 -10.999 -11.522 -12.007 -12.455 -13.240 -13.379 -13.513 -13.640 -13.762 -13.878 -13.987 -14.090 -14.187 -14.277 -14.361 -14.436 -14.504 -14.564 -14.616 -14.658 -14.691 -14.715 -14.729 -14.732 -14.725 -1.861 -2.377 -3.448 -4.570 -5.618 -6.564 -7.409 -8.165 -8.844 -9.460 -10.023 -10.543 -11.024 -11.469 -11.883 -12.618 -12.752 -12.882 -13.008 -13.130 -13.249 -13.364 -13.476 -13.585 -13.691 -13.794 -13.894 -13.991 -14.086 -14.178 -14.267 -14.353 -14.436 -14.517 -14.595 -14.670 -2.374 -2.583 -3.512 -4.550 -5.541 -6.443 -7.251 -7.971 -8.615 -9.194 -9.720 -10.200 -10.642 -11.050 -11.426 -12.098 -12.221 -12.341 -12.457 -12.570 -12.681 -12.788 -12.894 -12.997 -13.098 -13.197 -13.295 -13.391 -13.486 -13.579 -13.671 -13.763 -13.853 -13.943 -14.032 -14.121 -3.012 -2.898 -3.675 -4.623 -5.553 -6.407 -7.175 -7.859 -8.469 -9.014 -9.504 -9.949 -10.354 -10.725 -11.067 -11.674 -11.785 -11.892 -11.997 -12.099 -12.198 -12.295 -12.391 -12.484 -12.575 -12.665 -12.753 -12.841 -12.927 -13.013 -13.098 -13.183 -13.267 -13.351 -13.435 -13.519 -3.754 -3.304 -3.921 -4.774 -5.637 -6.441 -7.167 -7.815 -8.391 -8.903 -9.360 -9.771 -10.142 -10.480 -10.788 -11.332 -11.431 -11.526 -11.619 -11.710 -11.798 -11.884 -11.968 -12.050 -12.130 -12.210 -12.288 -12.365 -12.441 -12.516 -12.591 -12.666 -12.741 -12.815 -12.890 -12.965 -4.582 -3.787 -4.238 -4.990 -5.783 -6.535 -7.218 -7.828 -8.370 -8.850 -9.275 -9.654 -9.994 -10.300 -10.577 -11.061 -11.148 -11.232 -11.313 -11.393 -11.470 -11.544 -11.618 -11.689 -11.759 -11.827 -11.895 -11.961 -12.027 -12.092 -12.157 -12.221 -12.285 -12.350 -12.414 -12.479 -5.483 -4.336 -4.615 -5.263 -5.983 -6.679 -7.318 -7.890 -8.397 -8.845 -9.240 -9.589 -9.899 -10.175 -10.423 -10.849 -10.925 -10.998 -11.069 -11.138 -11.204 -11.269 -11.331 -11.392 -11.452 -11.510 -11.568 -11.624 -11.680 -11.735 -11.790 -11.844 -11.898 -11.953 -12.007 -12.062 99999.999 -4.941 -5.044 -5.585 -6.230 -6.869 -7.461 -7.994 -8.467 -8.883 -9.248 -9.568 -9.850 -10.098 -10.317 -10.690 -10.755 -10.818 -10.879 -10.937 -10.993 -11.048 -11.101 -11.152 -11.202 -11.251 -11.299 -11.346 -11.392 -11.438 -11.483 -11.528 -11.573 -11.618 -11.664 -11.709 talc-tschermaks Mg2Al2Si3O12H2 P-T:All Wt.(g/mol) = 380.850 V(cc/mol) = 135.100 D(g/cc) = 2.819 Ref: H&P2011 4 2.000 10 2.000 8 3.000 7 -10.000 1 37.962 32.197 27.154 22.790 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.962 32.197 27.154 22.790 18.992 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.965 32.200 27.157 22.792 18.995 15.656 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.969 32.205 27.162 22.797 19.000 15.661 12.686 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.976 32.213 27.170 22.806 19.008 15.670 12.695 10.008 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.988 32.226 27.183 22.819 19.022 15.683 12.710 10.024 7.562 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.006 32.245 27.203 22.839 19.042 15.704 12.731 10.047 7.587 5.293 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.030 32.273 27.231 22.867 19.071 15.734 12.762 10.079 7.623 5.332 3.143 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.064 32.310 27.270 22.906 19.110 15.774 12.804 10.124 7.671 5.386 3.206 1.068 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.108 32.359 27.320 22.957 19.162 15.827 12.859 10.183 7.735 5.457 3.288 1.169 -0.930 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.164 32.422 27.385 23.023 19.228 15.895 12.931 10.259 7.817 5.548 3.395 1.298 -0.777 -2.750 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.233 32.501 27.466 23.105 19.312 15.981 13.021 10.354 7.920 5.663 3.528 1.461 -0.577 -2.581 -4.083 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.285 32.561 27.528 23.168 19.376 16.047 13.089 10.427 7.998 5.750 3.629 1.585 -0.424 -2.417 -4.362 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.355 32.643 27.614 23.255 19.465 16.138 13.184 10.528 8.108 5.871 3.770 1.756 -0.208 -2.161 -4.265 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.422 32.722 27.697 23.340 19.551 16.227 13.277 10.626 8.214 5.989 3.905 1.921 0.001 -1.899 -3.985 11.351 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.485 32.798 27.777 23.422 19.635 16.313 13.367 10.722 8.317 6.102 4.035 2.078 0.200 -1.641 -3.646 1.176 5.579 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.544 32.870 27.854 23.501 19.716 16.397 13.454 10.814 8.417 6.212 4.161 2.229 0.390 -1.393 -3.297 -1.203 0.368 3.153 7.200 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.600 32.940 27.928 23.578 19.795 16.478 13.539 10.904 8.513 6.319 4.282 2.373 0.569 -1.159 -2.959 -2.222 -1.538 -0.303 1.653 4.313 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.653 33.007 28.000 23.652 19.871 16.557 13.622 10.992 8.607 6.422 4.398 2.510 0.738 -0.941 -2.642 -2.756 -2.471 -1.882 -0.896 0.558 2.444 4.552 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.702 33.071 28.069 23.724 19.945 16.633 13.702 11.077 8.699 6.522 4.511 2.641 0.897 -0.739 -2.351 -3.058 -2.992 -2.733 -2.232 -1.435 -0.318 1.086 2.661 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.747 33.132 28.136 23.793 20.016 16.707 13.779 11.159 8.787 6.618 4.619 2.765 1.045 -0.554 -2.090 -3.231 -3.299 -3.234 -3.006 -2.582 -1.935 -1.057 0.024 1.237 2.486 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.790 33.191 28.200 23.861 20.086 16.779 13.855 11.239 8.873 6.712 4.723 2.884 1.184 -0.384 -1.859 -3.324 -3.481 -3.541 -3.483 -3.287 -2.931 -2.402 -1.701 -0.850 0.108 1.116 2.118 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.830 33.246 28.262 23.926 20.153 16.849 13.928 11.317 8.957 6.804 4.824 2.997 1.315 -0.230 -1.657 -3.365 -3.585 -3.729 -3.784 -3.737 -3.571 -3.275 -2.843 -2.277 -1.593 -0.820 0.006 0.853 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.867 33.300 28.322 23.989 20.219 16.917 13.999 11.393 9.039 6.892 4.921 3.105 1.436 -0.089 -1.482 -3.372 -3.636 -3.840 -3.975 -4.029 -3.994 -3.858 -3.614 -3.259 -2.798 -2.241 -1.608 -0.919 -0.197 0.544 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.901 33.351 28.380 24.050 20.282 16.983 14.069 11.466 9.118 6.978 5.015 3.209 1.551 0.038 -1.331 -3.353 -3.651 -3.900 -4.091 -4.219 -4.276 -4.253 -4.144 -3.945 -3.654 -3.276 -2.817 -2.291 -1.710 -1.088 -0.435 99999.999 99999.999 99999.999 99999.999 99999.999 38.932 33.400 28.435 24.108 20.343 17.047 14.136 11.538 9.195 7.061 5.106 3.308 1.658 0.155 -1.200 -3.316 -3.640 -3.922 -4.156 -4.339 -4.462 -4.522 -4.513 -4.429 -4.268 -4.030 -3.717 -3.336 -2.894 -2.399 -1.859 -1.282 -0.669 99999.999 99999.999 99999.999 38.960 33.446 28.489 24.165 20.403 17.110 14.202 11.608 9.270 7.142 5.194 3.403 1.761 0.263 -1.086 -3.266 -3.610 -3.918 -4.185 -4.408 -4.583 -4.704 -4.769 -4.772 -4.710 -4.582 -4.387 -4.129 -3.809 -3.434 -3.009 -2.538 -2.025 -1.473 99999.999 99999.999 38.986 33.490 28.540 24.221 20.461 17.170 14.265 11.675 9.343 7.221 5.279 3.495 1.858 0.365 -0.984 -3.207 -3.567 -3.894 -4.186 -4.441 -4.655 -4.823 -4.944 -5.014 -5.028 -4.987 -4.887 -4.729 -4.514 -4.245 -3.925 -3.557 -3.144 -2.688 -2.191 -1.652 39.009 33.532 28.589 24.274 20.517 17.229 14.327 11.741 9.414 7.298 5.362 3.584 1.952 0.462 -0.888 -3.140 -3.512 -3.856 -4.168 -4.447 -4.691 -4.897 -5.061 -5.182 -5.257 -5.283 -5.258 -5.182 -5.055 -4.877 -4.650 -4.376 -4.057 -3.694 -3.288 -2.841 39.115 33.845 28.987 24.716 20.991 17.731 14.861 12.312 10.029 7.966 6.087 4.366 2.786 1.335 0.003 -2.328 -2.745 -3.146 -3.531 -3.900 -4.255 -4.594 -4.918 -5.226 -5.519 -5.797 -6.058 -6.302 -6.530 -6.741 -6.934 -7.109 -7.266 -7.404 -7.523 -7.622 39.025 33.993 29.235 25.021 21.333 18.105 15.265 12.750 10.505 8.486 6.656 4.986 3.456 2.050 0.757 -1.530 -1.945 -2.346 -2.736 -3.113 -3.479 -3.834 -4.178 -4.512 -4.837 -5.152 -5.458 -5.755 -6.043 -6.323 -6.594 -6.858 -7.113 -7.361 -7.601 -7.834 38.781 34.009 29.366 25.215 21.570 18.376 15.567 13.084 10.874 8.893 7.105 5.479 3.995 2.634 1.383 -0.834 -1.238 -1.629 -2.009 -2.378 -2.737 -3.086 -3.425 -3.757 -4.079 -4.394 -4.702 -5.003 -5.298 -5.586 -5.868 -6.146 -6.418 -6.685 -6.948 -7.207 38.411 33.918 29.399 25.319 21.722 18.565 15.788 13.336 11.157 9.211 7.459 5.874 4.431 3.111 1.900 -0.243 -0.633 -1.011 -1.378 -1.735 -2.081 -2.419 -2.748 -3.069 -3.381 -3.687 -3.986 -4.279 -4.565 -4.847 -5.123 -5.395 -5.662 -5.926 -6.186 -6.443 37.940 33.739 29.353 25.349 21.804 18.685 15.942 13.520 11.372 9.456 7.739 6.189 4.783 3.501 2.328 0.257 -0.119 -0.484 -0.838 -1.182 -1.516 -1.841 -2.157 -2.465 -2.766 -3.060 -3.347 -3.628 -3.904 -4.174 -4.439 -4.700 -4.957 -5.210 -5.460 -5.706 37.384 33.487 29.239 25.316 21.825 18.748 16.039 13.648 11.529 9.643 7.956 6.438 5.066 3.819 2.680 0.677 0.314 -0.038 -0.379 -0.710 -1.031 -1.344 -1.648 -1.944 -2.233 -2.514 -2.789 -3.058 -3.322 -3.580 -3.833 -4.082 -4.327 -4.568 -4.806 -5.041 36.756 33.172 29.068 25.229 21.796 18.763 16.088 13.728 11.638 9.780 8.121 6.633 5.291 4.076 2.969 1.029 0.679 0.339 0.010 -0.309 -0.618 -0.919 -1.211 -1.495 -1.772 -2.042 -2.306 -2.564 -2.815 -3.062 -3.304 -3.541 -3.775 -4.004 -4.230 -4.454 99999.999 32.805 28.847 25.096 21.723 18.734 16.096 13.767 11.706 9.875 8.243 6.782 5.468 4.281 3.204 1.323 0.984 0.656 0.339 0.031 -0.267 -0.557 -0.838 -1.112 -1.378 -1.637 -1.890 -2.136 -2.377 -2.613 -2.845 -3.071 -3.294 -3.513 -3.728 -3.940 tenorite CuO P-T:All Wt.(g/mol) = 79.550 V(cc/mol) = 12.220 D(g/cc) = 6.510 Ref: H&P2011 5 1.000 16 0.125 4 0.500 2 -0.875 1 -0.125 6 6.533 6.098 5.740 5.444 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.533 6.098 5.740 5.444 5.196 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.534 6.098 5.740 5.444 5.196 4.986 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.534 6.099 5.741 5.444 5.196 4.986 4.805 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.535 6.100 5.742 5.445 5.197 4.987 4.805 4.647 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.537 6.101 5.743 5.446 5.198 4.988 4.806 4.648 4.506 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.539 6.103 5.745 5.448 5.200 4.989 4.808 4.649 4.508 4.378 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.543 6.106 5.747 5.451 5.202 4.992 4.810 4.652 4.510 4.381 4.258 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.548 6.110 5.751 5.454 5.206 4.995 4.814 4.655 4.514 4.385 4.263 4.141 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.554 6.116 5.756 5.459 5.210 4.999 4.818 4.659 4.518 4.390 4.269 4.149 4.023 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.562 6.123 5.762 5.464 5.215 5.004 4.823 4.665 4.524 4.396 4.276 4.158 4.036 3.900 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.573 6.132 5.770 5.472 5.223 5.011 4.830 4.672 4.532 4.404 4.285 4.170 4.052 3.922 3.762 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.580 6.138 5.776 5.478 5.228 5.017 4.835 4.677 4.537 4.410 4.292 4.179 4.063 3.938 3.781 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.591 6.148 5.785 5.486 5.236 5.024 4.843 4.685 4.545 4.419 4.302 4.190 4.079 3.960 3.813 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.602 6.157 5.793 5.493 5.243 5.031 4.850 4.692 4.553 4.427 4.312 4.202 4.094 3.981 3.845 3.920 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.613 6.166 5.802 5.501 5.250 5.038 4.857 4.699 4.560 4.435 4.321 4.213 4.108 4.000 3.874 3.848 3.855 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.623 6.175 5.810 5.509 5.257 5.045 4.864 4.706 4.567 4.443 4.329 4.223 4.121 4.018 3.901 3.837 3.824 3.815 3.791 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.633 6.184 5.818 5.516 5.264 5.052 4.870 4.713 4.574 4.450 4.338 4.233 4.133 4.035 3.926 3.840 3.820 3.803 3.787 3.761 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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3.736 3.712 3.686 3.655 3.619 3.578 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.678 6.224 5.854 5.550 5.297 5.084 4.902 4.745 4.607 4.485 4.376 4.276 4.185 4.100 4.018 3.890 3.864 3.840 3.816 3.792 3.769 3.746 3.723 3.699 3.673 3.645 3.613 3.578 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.686 6.231 5.861 5.557 5.303 5.090 4.908 4.751 4.613 4.492 4.383 4.284 4.194 4.110 4.031 3.900 3.875 3.850 3.826 3.803 3.779 3.757 3.734 3.711 3.687 3.663 3.636 3.608 3.578 3.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.694 6.238 5.868 5.563 5.309 5.096 4.913 4.756 4.619 4.498 4.389 4.291 4.202 4.120 4.043 3.910 3.885 3.861 3.837 3.813 3.790 3.767 3.745 3.723 3.700 3.677 3.653 3.629 3.603 3.577 3.550 99999.999 99999.999 99999.999 99999.999 99999.999 6.702 6.246 5.875 5.569 5.315 5.101 4.919 4.762 4.625 4.504 4.396 4.298 4.210 4.128 4.053 3.920 3.896 3.871 3.847 3.824 3.801 3.778 3.756 3.734 3.712 3.690 3.668 3.645 3.623 3.599 3.576 3.553 3.530 99999.999 99999.999 99999.999 6.710 6.253 5.881 5.575 5.321 5.107 4.925 4.768 4.631 4.510 4.402 4.305 4.217 4.137 4.062 3.930 3.905 3.881 3.858 3.835 3.812 3.789 3.767 3.746 3.724 3.703 3.681 3.660 3.639 3.617 3.596 3.576 3.555 3.536 99999.999 99999.999 6.718 6.259 5.887 5.581 5.327 5.113 4.930 4.773 4.636 4.516 4.409 4.312 4.224 4.144 4.071 3.940 3.915 3.891 3.868 3.845 3.823 3.800 3.779 3.757 3.736 3.715 3.694 3.673 3.653 3.633 3.613 3.594 3.575 3.558 3.541 3.526 6.725 6.266 5.894 5.587 5.332 5.118 4.936 4.779 4.642 4.522 4.415 4.318 4.231 4.152 4.079 3.949 3.925 3.901 3.878 3.855 3.833 3.811 3.789 3.768 3.747 3.727 3.706 3.686 3.666 3.647 3.628 3.610 3.592 3.575 3.559 3.545 6.789 6.326 5.949 5.640 5.383 5.167 4.984 4.827 4.692 4.573 4.468 4.375 4.292 4.217 4.148 4.029 4.007 3.986 3.965 3.945 3.925 3.906 3.887 3.868 3.850 3.832 3.814 3.797 3.780 3.763 3.746 3.730 3.714 3.699 3.684 3.670 6.837 6.374 5.996 5.684 5.426 5.209 5.025 4.868 4.733 4.616 4.513 4.422 4.341 4.269 4.204 4.092 4.072 4.053 4.034 4.015 3.998 3.980 3.963 3.947 3.931 3.915 3.900 3.884 3.869 3.855 3.840 3.826 3.812 3.798 3.784 3.771 6.875 6.413 6.034 5.722 5.463 5.245 5.061 4.904 4.769 4.652 4.551 4.462 4.383 4.313 4.251 4.144 4.126 4.107 4.090 4.073 4.057 4.041 4.026 4.011 3.996 3.982 3.968 3.955 3.942 3.929 3.916 3.903 3.891 3.879 3.867 3.855 6.902 6.445 6.067 5.755 5.494 5.276 5.091 4.934 4.800 4.684 4.583 4.496 4.418 4.350 4.290 4.188 4.171 4.153 4.137 4.121 4.106 4.091 4.077 4.064 4.050 4.037 4.025 4.013 4.001 3.989 3.978 3.967 3.956 3.946 3.935 3.925 6.922 6.472 6.095 5.783 5.522 5.303 5.119 4.961 4.827 4.712 4.612 4.525 4.449 4.383 4.324 4.226 4.209 4.193 4.177 4.162 4.148 4.134 4.121 4.108 4.096 4.084 4.073 4.062 4.051 4.041 4.030 4.021 4.011 4.001 3.992 3.983 6.936 6.493 6.119 5.807 5.547 5.328 5.143 4.986 4.851 4.736 4.637 4.551 4.476 4.411 4.354 4.259 4.243 4.227 4.212 4.198 4.184 4.171 4.159 4.147 4.136 4.125 4.114 4.104 4.094 4.084 4.075 4.066 4.057 4.049 4.040 4.032 6.945 6.511 6.139 5.828 5.568 5.349 5.164 5.007 4.873 4.758 4.660 4.574 4.500 4.436 4.380 4.288 4.272 4.257 4.243 4.229 4.216 4.204 4.192 4.181 4.170 4.160 4.150 4.140 4.131 4.122 4.114 4.105 4.097 4.090 4.082 4.075 99999.999 6.525 6.157 5.847 5.588 5.369 5.184 5.027 4.893 4.778 4.680 4.595 4.522 4.459 4.403 4.313 4.298 4.284 4.270 4.257 4.244 4.233 4.221 4.211 4.200 4.191 4.181 4.172 4.164 4.155 4.147 4.140 4.132 4.125 4.118 4.112 tenorite CuO P-T:All Wt.(g/mol) = 79.550 V(cc/mol) = 12.220 D(g/cc) = 6.510 Ref: H&P2011 4 1.000 16 0.500 2 -1.000 1 0.250 31 -12.479 -11.192 -10.065 -9.070 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.479 -11.192 -10.065 -9.070 -8.185 99999.999 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-5.414 -4.868 -4.364 -3.898 -3.463 -3.057 -2.674 -1.952 -1.815 -1.678 -1.541 -1.405 -1.268 -1.131 -0.993 -0.854 -0.714 -0.574 -0.434 -0.296 -0.161 -0.028 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.439 -11.165 -10.045 -9.053 -8.170 -7.377 -6.660 -6.009 -5.414 -4.867 -4.363 -3.897 -3.462 -3.055 -2.672 -1.956 -1.819 -1.684 -1.550 -1.416 -1.283 -1.150 -1.016 -0.882 -0.748 -0.614 -0.479 -0.346 -0.213 -0.083 0.046 99999.999 99999.999 99999.999 99999.999 99999.999 -12.438 -11.165 -10.044 -9.053 -8.170 -7.377 -6.660 -6.008 -5.413 -4.867 -4.363 -3.896 -3.461 -3.054 -2.670 -1.958 -1.822 -1.688 -1.556 -1.425 -1.294 -1.164 -1.034 -0.904 -0.774 -0.644 -0.515 -0.385 -0.257 -0.129 -0.003 0.122 0.245 99999.999 99999.999 99999.999 -12.438 -11.165 -10.044 -9.053 -8.170 -7.377 -6.660 -6.008 -5.413 -4.866 -4.362 -3.895 -3.460 -3.053 -2.669 -1.959 -1.825 -1.692 -1.561 -1.431 -1.303 -1.175 -1.048 -0.921 -0.795 -0.669 -0.543 -0.417 -0.292 -0.168 -0.045 0.078 0.199 0.318 99999.999 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0.035 0.128 0.220 -12.500 -11.212 -10.083 -9.087 -8.200 -7.403 -6.682 -6.027 -5.427 -4.875 -4.366 -3.894 -3.455 -3.045 -2.661 -1.959 -1.828 -1.700 -1.575 -1.452 -1.332 -1.215 -1.099 -0.987 -0.876 -0.768 -0.661 -0.557 -0.455 -0.354 -0.256 -0.159 -0.064 0.030 0.121 0.211 -12.540 -11.241 -10.107 -9.107 -8.217 -7.419 -6.696 -6.039 -5.438 -4.885 -4.375 -3.902 -3.461 -3.049 -2.664 -1.960 -1.829 -1.700 -1.575 -1.452 -1.332 -1.214 -1.099 -0.986 -0.875 -0.766 -0.660 -0.556 -0.453 -0.353 -0.254 -0.158 -0.063 0.030 0.122 0.212 -12.588 -11.275 -10.135 -9.131 -8.238 -7.437 -6.713 -6.054 -5.452 -4.898 -4.386 -3.911 -3.469 -3.056 -2.669 -1.963 -1.831 -1.703 -1.577 -1.454 -1.333 -1.215 -1.099 -0.986 -0.875 -0.766 -0.659 -0.555 -0.452 -0.352 -0.253 -0.156 -0.061 0.032 0.124 0.214 -12.641 -11.313 -10.165 -9.157 -8.261 -7.457 -6.731 -6.071 -5.467 -4.911 -4.398 -3.922 -3.479 -3.065 -2.676 -1.968 -1.836 -1.707 -1.581 -1.457 -1.336 -1.218 -1.102 -0.988 -0.877 -0.767 -0.660 -0.555 -0.453 -0.352 -0.253 -0.155 -0.060 0.034 0.125 0.216 -12.699 -11.354 -10.198 -9.185 -8.285 -7.479 -6.751 -6.089 -5.484 -4.927 -4.412 -3.935 -3.490 -3.075 -2.685 -1.975 -1.842 -1.713 -1.586 -1.462 -1.341 -1.222 -1.105 -0.991 -0.880 -0.770 -0.663 -0.558 -0.454 -0.353 -0.254 -0.156 -0.060 0.033 0.126 0.216 99999.999 -11.398 -10.234 -9.215 -8.312 -7.503 -6.773 -6.109 -5.502 -4.943 -4.427 -3.948 -3.503 -3.086 -2.695 -1.982 -1.850 -1.720 -1.593 -1.468 -1.346 -1.227 -1.110 -0.996 -0.884 -0.774 -0.667 -0.561 -0.457 -0.356 -0.256 -0.158 -0.062 0.032 0.125 0.216 tephroite Mn2SiO4 P-T:All Wt.(g/mol) = 201.950 V(cc/mol) = 48.990 D(g/cc) = 4.122 Ref: H&P2011 3 2.000 14 1.000 7 -4.000 1 26.634 23.986 21.705 19.748 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.634 23.986 21.705 19.748 18.058 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.635 23.986 21.706 19.749 18.059 16.583 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.636 23.988 21.707 19.750 18.060 16.584 15.280 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.638 23.990 21.709 19.753 18.062 16.587 15.283 14.117 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.642 23.994 21.713 19.757 18.066 16.591 15.287 14.121 13.065 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.647 23.999 21.719 19.762 18.072 16.596 15.293 14.128 13.072 12.099 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.654 24.007 21.726 19.770 18.080 16.605 15.302 14.138 13.083 12.111 11.197 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.663 24.017 21.737 19.781 18.091 16.616 15.314 14.151 13.097 12.127 11.216 10.337 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.676 24.031 21.751 19.795 18.105 16.631 15.330 14.168 13.116 12.149 11.242 10.369 9.511 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.692 24.048 21.769 19.813 18.124 16.651 15.351 14.190 13.140 12.176 11.275 10.410 9.563 8.738 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.711 24.070 21.791 19.836 18.147 16.675 15.376 14.217 13.170 12.211 11.316 10.462 9.629 8.805 8.074 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.725 24.086 21.808 19.853 18.165 16.693 15.396 14.238 13.193 12.237 11.346 10.500 9.679 8.864 8.032 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.744 24.108 21.831 19.877 18.189 16.718 15.422 14.267 13.225 12.273 11.389 10.554 9.748 8.952 8.095 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.762 24.129 21.853 19.900 18.213 16.743 15.448 14.295 13.256 12.308 11.430 10.605 9.815 9.039 8.202 11.621 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.778 24.149 21.875 19.922 18.235 16.767 15.474 14.322 13.286 12.341 11.470 10.654 9.878 9.124 8.319 9.144 10.133 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.794 24.168 21.895 19.943 18.257 16.789 15.498 14.349 13.315 12.374 11.508 10.700 9.938 9.204 8.437 8.566 8.868 9.459 10.312 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.808 24.186 21.914 19.963 18.278 16.811 15.521 14.374 13.342 12.405 11.544 10.744 9.994 9.279 8.548 8.328 8.411 8.629 9.016 9.551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.820 24.202 21.932 19.982 18.298 16.833 15.544 14.398 13.369 12.435 11.578 10.786 10.047 9.349 8.652 8.210 8.195 8.256 8.413 8.678 9.034 9.414 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.832 24.218 21.950 20.001 18.318 16.853 15.566 14.422 13.395 12.464 11.612 10.826 10.097 9.413 8.746 8.150 8.082 8.062 8.102 8.213 8.398 8.642 8.910 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.842 24.233 21.967 20.018 18.336 16.873 15.587 14.445 13.420 12.492 11.644 10.864 10.143 9.472 8.830 8.121 8.020 7.954 7.928 7.950 8.026 8.155 8.325 8.516 8.701 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.852 24.247 21.983 20.035 18.354 16.892 15.607 14.467 13.444 12.519 11.674 10.899 10.186 9.526 8.905 8.112 7.989 7.893 7.826 7.795 7.802 7.850 7.938 8.057 8.194 8.334 8.462 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.860 24.260 21.998 20.052 18.372 16.910 15.626 14.488 13.468 12.545 11.704 10.933 10.226 9.575 8.970 8.114 7.977 7.861 7.767 7.700 7.663 7.657 7.684 7.741 7.823 7.922 8.028 8.132 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.867 24.273 22.012 20.067 18.388 16.928 15.645 14.509 13.490 12.570 11.732 10.966 10.263 9.619 9.026 8.125 7.978 7.847 7.735 7.644 7.576 7.533 7.516 7.526 7.561 7.616 7.686 7.767 7.851 7.937 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 26.873 24.284 22.026 20.082 18.404 16.945 15.664 14.528 13.512 12.595 11.760 10.996 10.298 9.659 9.075 8.141 7.986 7.845 7.720 7.612 7.522 7.453 7.405 7.380 7.376 7.393 7.428 7.478 7.539 7.607 7.681 99999.999 99999.999 99999.999 99999.999 99999.999 26.879 24.295 22.038 20.096 18.419 16.961 15.681 14.548 13.533 12.618 11.786 11.026 10.330 9.695 9.117 8.161 8.001 7.852 7.717 7.597 7.491 7.403 7.332 7.281 7.248 7.234 7.238 7.257 7.291 7.336 7.391 7.455 7.527 99999.999 99999.999 99999.999 26.883 24.304 22.051 20.110 18.434 16.977 15.698 14.566 13.554 12.641 11.811 11.054 10.361 9.729 9.154 8.184 8.019 7.865 7.723 7.593 7.476 7.374 7.286 7.214 7.159 7.121 7.098 7.092 7.100 7.121 7.154 7.199 7.253 7.318 99999.999 99999.999 26.886 24.313 22.062 20.123 18.448 16.992 15.715 14.584 13.574 12.663 11.836 11.081 10.391 9.761 9.187 8.209 8.041 7.882 7.735 7.598 7.472 7.359 7.258 7.172 7.099 7.041 6.998 6.969 6.955 6.954 6.965 6.989 7.024 7.070 7.127 7.196 26.889 24.322 22.073 20.135 18.461 17.006 15.730 14.602 13.593 12.684 11.859 11.107 10.419 9.790 9.218 8.235 8.064 7.903 7.751 7.608 7.476 7.354 7.244 7.146 7.060 6.986 6.926 6.879 6.846 6.825 6.817 6.821 6.836 6.863 6.902 6.952 26.869 24.368 22.148 20.227 18.567 17.124 15.860 14.746 13.754 12.864 12.060 11.330 10.663 10.052 9.494 8.512 8.335 8.164 7.999 7.840 7.686 7.537 7.394 7.256 7.123 6.996 6.873 6.756 6.644 6.538 6.437 6.341 6.251 6.167 6.088 6.016 26.780 24.357 22.173 20.274 18.628 17.198 15.947 14.846 13.869 12.996 12.209 11.497 10.849 10.257 9.715 8.760 8.587 8.419 8.257 8.099 7.946 7.798 7.653 7.513 7.377 7.244 7.115 6.990 6.867 6.748 6.632 6.519 6.409 6.302 6.198 6.096 26.637 24.301 22.158 20.283 18.655 17.238 16.000 14.912 13.948 13.089 12.319 11.624 10.992 10.417 9.892 8.966 8.798 8.636 8.479 8.326 8.177 8.033 7.893 7.757 7.624 7.494 7.368 7.244 7.124 7.006 6.891 6.778 6.667 6.558 6.451 6.347 26.449 24.209 22.110 20.262 18.652 17.251 16.027 14.951 14.000 13.154 12.398 11.717 11.101 10.541 10.031 9.134 8.972 8.815 8.663 8.516 8.373 8.234 8.098 7.967 7.839 7.714 7.592 7.474 7.358 7.244 7.133 7.024 6.917 6.812 6.708 6.607 26.226 24.086 22.035 20.216 18.627 17.242 16.031 14.967 14.028 13.195 12.451 11.784 11.182 10.636 10.140 9.270 9.113 8.962 8.815 8.673 8.535 8.401 8.271 8.144 8.021 7.901 7.785 7.671 7.560 7.451 7.344 7.240 7.138 7.038 6.939 6.842 25.973 23.938 21.937 20.148 18.581 17.213 16.016 14.965 14.038 13.216 12.485 11.829 11.240 10.707 10.223 9.379 9.228 9.081 8.939 8.801 8.668 8.539 8.414 8.292 8.174 8.059 7.947 7.838 7.731 7.627 7.526 7.426 7.329 7.233 7.139 7.047 25.695 23.768 21.820 20.063 18.519 17.168 15.985 14.947 14.032 13.222 12.501 11.857 11.279 10.758 10.286 9.466 9.319 9.176 9.039 8.906 8.777 8.653 8.532 8.415 8.301 8.190 8.082 7.978 7.876 7.776 7.679 7.584 7.491 7.399 7.310 7.222 99999.999 23.580 21.686 19.962 18.441 17.109 15.941 14.916 14.012 13.213 12.503 11.870 11.303 10.792 10.332 9.533 9.390 9.252 9.119 8.990 8.865 8.745 8.628 8.515 8.405 8.299 8.195 8.094 7.996 7.901 7.807 7.716 7.627 7.540 7.455 7.371 tilleyite Ca5Si2C2O13 P-T:All Wt.(g/mol) = 488.580 V(cc/mol) = 170.390 D(g/cc) = 2.867 Ref: H&P2011 5 -8.000 1 5.000 9 2.000 7 2.000 5 -1.000 2 60.124 54.487 49.515 45.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.124 54.487 49.515 45.148 41.281 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.127 54.490 49.518 45.150 41.283 37.819 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.133 54.496 49.523 45.155 41.288 37.824 34.680 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.143 54.505 49.532 45.164 41.296 37.833 34.688 31.793 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.160 54.520 49.545 45.177 41.310 37.846 34.702 31.808 29.102 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.184 54.542 49.566 45.197 41.329 37.866 34.723 31.830 29.126 26.551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.219 54.573 49.595 45.225 41.357 37.894 34.752 31.861 29.161 26.591 24.080 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.267 54.616 49.635 45.264 41.395 37.933 34.792 31.904 29.208 26.645 24.145 21.629 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.330 54.672 49.689 45.315 41.446 37.984 34.846 31.961 29.270 26.716 24.231 21.739 19.151 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.411 54.745 49.757 45.381 41.511 38.050 34.914 32.034 29.351 26.807 24.341 21.880 19.341 16.619 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.513 54.837 49.844 45.465 41.594 38.134 35.001 32.127 29.452 26.922 24.478 22.055 19.575 16.933 13.947 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.590 54.907 49.910 45.528 41.657 38.198 35.067 32.197 29.529 27.008 24.581 22.185 19.750 17.172 14.169 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.698 55.006 50.002 45.618 41.746 38.287 35.160 32.296 29.636 27.130 24.724 22.365 19.989 17.502 14.608 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.802 55.101 50.093 45.705 41.832 38.375 35.251 32.392 29.741 27.247 24.862 22.536 20.215 17.815 15.066 17.055 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.904 55.194 50.181 45.790 41.916 38.460 35.339 32.486 29.842 27.360 24.994 22.700 20.429 18.109 15.508 14.490 14.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.002 55.284 50.266 45.874 41.999 38.543 35.426 32.577 29.941 27.470 25.122 22.856 20.630 18.382 15.921 14.008 13.802 13.850 13.913 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.097 55.372 50.350 45.955 42.079 38.625 35.510 32.666 30.037 27.577 25.245 23.004 20.819 18.637 16.303 13.922 13.482 13.172 12.989 12.809 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.189 55.458 50.431 46.034 42.157 38.704 35.592 32.753 30.131 27.681 25.364 23.146 20.997 18.873 16.652 13.967 13.429 12.964 12.581 12.266 11.943 11.470 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.278 55.541 50.510 46.111 42.234 38.782 35.672 32.837 30.222 27.781 25.478 23.282 21.164 19.091 16.968 14.068 13.482 12.942 12.454 12.021 11.625 11.218 10.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.364 55.621 50.588 46.186 42.309 38.857 35.750 32.920 30.311 27.879 25.589 23.411 21.321 19.292 17.252 14.195 13.583 13.004 12.460 11.956 11.488 11.041 10.584 10.075 9.470 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.447 55.700 50.663 46.260 42.382 38.931 35.827 33.001 30.398 27.974 25.695 23.534 21.469 19.477 17.506 14.335 13.710 13.108 12.533 11.987 11.470 10.978 10.500 10.015 9.498 8.928 8.288 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.528 55.776 50.737 46.332 42.453 39.004 35.901 33.079 30.482 28.067 25.799 23.653 21.609 19.647 17.732 14.481 13.849 13.235 12.642 12.071 11.524 10.998 10.491 9.994 9.494 8.978 8.432 7.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.606 55.851 50.808 46.402 42.523 39.074 35.975 33.156 30.565 28.157 25.899 23.766 21.740 19.804 17.932 14.630 13.994 13.374 12.771 12.185 11.619 11.071 10.541 10.025 9.518 9.013 8.502 7.978 7.438 6.885 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.682 55.923 50.878 46.470 42.591 39.144 36.046 33.231 30.645 28.245 25.996 23.875 21.864 19.949 18.110 14.778 14.142 13.519 12.910 12.316 11.738 11.176 10.629 10.098 9.579 9.070 8.565 8.062 7.557 7.051 6.545 99999.999 99999.999 99999.999 99999.999 99999.999 61.755 55.994 50.946 46.537 42.658 39.211 36.116 33.305 30.724 28.330 26.090 23.980 21.982 20.083 18.269 14.926 14.290 13.667 13.055 12.457 11.872 11.300 10.743 10.200 9.670 9.152 8.644 8.145 7.652 7.166 6.686 6.217 5.763 99999.999 99999.999 99999.999 61.826 56.062 51.013 46.603 42.723 39.277 36.184 33.377 30.801 28.413 26.181 24.081 22.094 20.208 18.412 15.072 14.438 13.815 13.203 12.602 12.014 11.437 10.873 10.322 9.783 9.257 8.743 8.240 7.748 7.267 6.798 6.341 5.902 5.482 99999.999 99999.999 61.894 56.129 51.078 46.667 42.787 39.342 36.251 33.447 30.876 28.495 26.270 24.179 22.202 20.327 18.544 15.215 14.583 13.962 13.351 12.750 12.160 11.581 11.013 10.457 9.912 9.379 8.859 8.351 7.855 7.372 6.904 6.450 6.014 5.597 5.204 4.839 61.961 56.194 51.141 46.729 42.849 39.405 36.316 33.516 30.949 28.574 26.357 24.274 22.306 20.441 18.667 15.356 14.727 14.108 13.498 12.899 12.309 11.729 11.159 10.600 10.051 9.514 8.988 8.475 7.974 7.487 7.015 6.558 6.119 5.700 5.303 4.931 62.511 56.753 51.697 47.282 43.405 39.971 36.900 34.129 31.603 29.279 27.124 25.111 23.220 21.436 19.747 16.607 16.011 15.424 14.846 14.277 13.715 13.160 12.612 12.071 11.536 11.007 10.485 9.970 9.461 8.959 8.464 7.977 7.499 7.029 6.569 6.119 62.888 57.175 52.132 47.724 43.855 40.432 37.379 34.632 32.138 29.854 27.747 25.788 23.957 22.236 20.614 17.615 17.049 16.493 15.945 15.407 14.876 14.353 13.837 13.327 12.824 12.327 11.835 11.348 10.867 10.390 9.918 9.451 8.988 8.530 8.077 7.628 63.128 57.487 52.471 48.078 44.221 40.812 37.775 35.049 32.582 30.331 28.262 26.348 24.565 22.896 21.328 18.445 17.903 17.371 16.849 16.336 15.832 15.335 14.846 14.364 13.888 13.419 12.955 12.496 12.043 11.594 11.150 10.709 10.273 9.840 9.411 8.985 63.258 57.708 52.731 48.359 44.519 41.125 38.106 35.399 32.954 30.731 28.695 26.817 25.075 23.449 21.927 19.140 18.618 18.107 17.606 17.114 16.631 16.156 15.689 15.230 14.777 14.331 13.890 13.456 13.026 12.601 12.181 11.766 11.354 10.946 10.541 10.139 63.297 57.856 52.925 48.581 44.760 41.384 38.381 35.693 33.269 31.070 29.061 27.215 25.507 23.919 22.435 19.730 19.226 18.732 18.248 17.774 17.309 16.853 16.404 15.963 15.530 15.103 14.682 14.267 13.857 13.453 13.054 12.659 12.268 11.880 11.497 11.116 63.260 57.942 53.064 48.751 44.953 41.596 38.611 35.940 33.536 31.359 29.374 27.555 25.876 24.320 22.870 20.237 19.747 19.268 18.799 18.340 17.891 17.450 17.017 16.592 16.174 15.764 15.359 14.961 14.568 14.181 13.799 13.421 13.048 12.678 12.312 11.950 63.160 57.976 53.157 48.878 45.105 41.768 38.801 36.149 33.763 31.605 29.642 27.847 26.194 24.666 23.246 20.675 20.198 19.732 19.276 18.830 18.394 17.966 17.547 17.136 16.732 16.335 15.945 15.560 15.182 14.809 14.441 14.078 13.719 13.365 13.014 12.666 99999.999 57.966 53.209 48.967 45.221 41.906 38.958 36.323 33.956 31.816 29.873 28.098 26.469 24.966 23.572 21.056 20.590 20.135 19.691 19.257 18.832 18.416 18.009 17.609 17.217 16.832 16.454 16.082 15.715 15.355 14.999 14.648 14.302 13.960 13.622 13.287 titanite-CaSi CaSi2O5 P-T:All Wt.(g/mol) = 176.243 V(cc/mol) = 48.180 D(g/cc) = 3.658 Ref: H&P2011 4 1.000 9 2.000 7 -3.000 2 -2.000 1 21.028 19.388 17.903 16.600 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.028 19.388 17.903 16.600 15.459 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.028 19.388 17.904 16.601 15.460 14.457 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.029 19.389 17.905 16.601 15.461 14.458 13.567 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.029 19.390 17.906 16.603 15.463 14.459 13.569 12.771 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.030 19.392 17.908 16.605 15.465 14.462 13.572 12.775 12.051 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.032 19.395 17.911 16.609 15.469 14.466 13.577 12.780 12.057 11.391 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.033 19.398 17.916 16.614 15.475 14.472 13.583 12.787 12.064 11.400 10.777 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.036 19.403 17.922 16.621 15.482 14.480 13.592 12.796 12.075 11.412 10.790 10.193 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.038 19.410 17.930 16.630 15.492 14.491 13.603 12.808 12.088 11.427 10.809 10.216 9.631 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.041 19.417 17.940 16.641 15.504 14.504 13.617 12.824 12.106 11.447 10.832 10.245 9.668 9.088 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.043 19.426 17.951 16.654 15.518 14.520 13.635 12.843 12.127 11.471 10.861 10.280 9.714 9.145 8.561 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.044 19.432 17.959 16.664 15.529 14.531 13.648 12.857 12.143 11.490 10.882 10.307 9.748 9.188 8.590 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.043 19.439 17.970 16.676 15.543 14.547 13.665 12.877 12.165 11.515 10.912 10.343 9.795 9.250 8.661 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.041 19.445 17.979 16.688 15.557 14.562 13.682 12.895 12.186 11.538 10.940 10.377 9.839 9.308 8.741 9.250 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.037 19.449 17.988 16.698 15.569 14.576 13.697 12.913 12.205 11.561 10.966 10.410 9.880 9.363 8.819 8.589 8.755 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.032 19.452 17.995 16.708 15.580 14.589 13.712 12.929 12.224 11.582 10.991 10.441 9.919 9.415 8.893 8.462 8.441 8.494 8.593 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.025 19.454 18.000 16.716 15.590 14.601 13.725 12.945 12.242 11.603 11.015 10.469 9.956 9.463 8.963 8.431 8.351 8.307 8.305 8.327 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.017 19.454 18.005 16.723 15.599 14.611 13.738 12.959 12.258 11.622 11.038 10.497 9.990 9.507 9.026 8.431 8.326 8.242 8.183 8.149 8.129 8.097 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.007 19.453 18.008 16.729 15.607 14.621 13.750 12.973 12.274 11.640 11.059 10.522 10.021 9.548 9.084 8.445 8.328 8.224 8.136 8.066 8.012 7.967 7.917 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.996 19.451 18.011 16.734 15.615 14.630 13.760 12.985 12.289 11.657 11.080 10.547 10.051 9.585 9.136 8.466 8.342 8.228 8.125 8.034 7.956 7.890 7.829 7.767 7.694 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.983 19.448 18.012 16.739 15.621 14.639 13.770 12.997 12.303 11.674 11.099 10.569 10.079 9.620 9.182 8.491 8.363 8.242 8.130 8.028 7.935 7.852 7.777 7.708 7.638 7.563 7.480 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.969 19.444 18.013 16.742 15.626 14.646 13.780 13.008 12.316 11.689 11.117 10.591 10.104 9.652 9.224 8.517 8.387 8.263 8.146 8.036 7.934 7.840 7.753 7.674 7.598 7.524 7.449 7.370 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.954 19.439 18.012 16.744 15.631 14.652 13.788 13.018 12.328 11.703 11.134 10.611 10.128 9.680 9.261 8.544 8.413 8.287 8.166 8.052 7.944 7.842 7.748 7.660 7.577 7.499 7.422 7.347 7.271 7.194 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.938 19.433 18.011 16.746 15.635 14.658 13.796 13.028 12.339 11.717 11.150 10.630 10.151 9.707 9.293 8.572 8.439 8.312 8.190 8.072 7.961 7.855 7.754 7.660 7.571 7.487 7.407 7.330 7.255 7.182 7.110 99999.999 99999.999 99999.999 99999.999 99999.999 20.920 19.425 18.008 16.747 15.638 14.663 13.802 13.037 12.350 11.730 11.165 10.648 10.171 9.731 9.322 8.599 8.466 8.338 8.215 8.096 7.982 7.873 7.769 7.670 7.576 7.487 7.403 7.322 7.246 7.172 7.101 7.034 6.970 99999.999 99999.999 99999.999 20.902 19.417 18.005 16.746 15.640 14.667 13.808 13.045 12.360 11.742 11.179 10.665 10.191 9.754 9.348 8.625 8.493 8.365 8.241 8.121 8.006 7.894 7.788 7.686 7.588 7.495 7.407 7.323 7.244 7.168 7.096 7.027 6.963 6.903 99999.999 99999.999 20.882 19.408 18.001 16.746 15.641 14.671 13.814 13.052 12.369 11.753 11.193 10.680 10.209 9.775 9.372 8.651 8.520 8.392 8.267 8.147 8.031 7.918 7.810 7.706 7.606 7.510 7.419 7.332 7.249 7.170 7.095 7.025 6.959 6.897 6.841 6.789 20.861 19.397 17.996 16.744 15.642 14.674 13.818 13.058 12.378 11.764 11.206 10.695 10.227 9.794 9.394 8.677 8.546 8.418 8.294 8.173 8.057 7.943 7.834 7.728 7.627 7.529 7.435 7.345 7.260 7.178 7.101 7.028 6.959 6.895 6.836 6.782 20.597 19.248 17.903 16.687 15.613 14.666 13.831 13.090 12.429 11.834 11.297 10.808 10.360 9.949 9.570 8.893 8.769 8.648 8.530 8.415 8.303 8.193 8.086 7.982 7.880 7.780 7.683 7.588 7.495 7.405 7.316 7.231 7.147 7.067 6.988 6.912 20.248 19.025 17.745 16.571 15.526 14.605 13.791 13.070 12.427 11.852 11.333 10.863 10.435 10.044 9.684 9.044 8.928 8.814 8.704 8.596 8.491 8.389 8.289 8.191 8.096 8.003 7.912 7.822 7.735 7.649 7.565 7.483 7.402 7.323 7.246 7.170 19.831 18.745 17.535 16.406 15.395 14.500 13.709 13.008 12.385 11.828 11.328 10.876 10.465 10.091 9.749 9.144 9.034 8.927 8.823 8.723 8.625 8.529 8.436 8.345 8.257 8.170 8.086 8.003 7.922 7.843 7.765 7.689 7.614 7.541 7.469 7.398 19.360 18.416 17.281 16.201 15.226 14.359 13.592 12.913 12.309 11.771 11.288 10.853 10.460 10.102 9.776 9.203 9.099 8.998 8.901 8.806 8.714 8.625 8.538 8.454 8.371 8.291 8.212 8.136 8.061 7.988 7.916 7.846 7.777 7.710 7.644 7.578 18.842 18.047 16.991 15.962 15.025 14.189 13.447 12.789 12.206 11.685 11.220 10.802 10.425 10.083 9.772 9.229 9.131 9.036 8.944 8.855 8.769 8.685 8.604 8.525 8.448 8.373 8.301 8.230 8.160 8.093 8.027 7.962 7.899 7.837 7.776 7.716 18.286 17.645 16.670 15.695 14.798 13.993 13.277 12.642 12.078 11.577 11.128 10.727 10.365 10.039 9.743 9.227 9.135 9.045 8.959 8.875 8.794 8.716 8.640 8.566 8.494 8.425 8.357 8.291 8.227 8.164 8.103 8.044 7.985 7.928 7.872 7.818 17.697 17.213 16.323 15.403 14.547 13.775 13.086 12.474 11.931 11.448 11.017 10.631 10.285 9.974 9.692 9.203 9.116 9.032 8.950 8.872 8.796 8.722 8.651 8.582 8.515 8.450 8.387 8.326 8.266 8.208 8.152 8.097 8.043 7.990 7.939 7.889 99999.999 16.755 15.952 15.090 14.276 13.537 12.876 12.288 11.766 11.301 10.888 10.518 10.187 9.890 9.622 9.160 9.077 8.998 8.921 8.847 8.776 8.707 8.640 8.576 8.514 8.453 8.395 8.338 8.282 8.229 8.176 8.126 8.076 8.028 7.980 7.934 topaz-H Al2SiO6H2 P-T:All Wt.(g/mol) = 180.060 V(cc/mol) = 53.390 D(g/cc) = 3.373 Ref: H&P2011 4 -6.000 1 2.000 8 1.000 7 2.000 2 14.442 11.441 8.825 6.555 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.442 11.441 8.825 6.555 4.569 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.443 11.442 8.826 6.556 4.570 2.810 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.445 11.445 8.828 6.558 4.573 2.813 1.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.449 11.449 8.832 6.563 4.577 2.817 1.234 -0.211 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.455 11.455 8.839 6.569 4.584 2.824 1.242 -0.203 -1.542 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.463 11.464 8.849 6.579 4.594 2.834 1.253 -0.191 -1.529 -2.792 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.475 11.478 8.863 6.593 4.608 2.849 1.268 -0.174 -1.510 -2.771 -3.991 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.492 11.496 8.882 6.613 4.628 2.870 1.290 -0.151 -1.485 -2.742 -3.957 -5.162 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.513 11.521 8.907 6.638 4.654 2.896 1.318 -0.120 -1.451 -2.704 -3.912 -5.106 -6.294 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.541 11.552 8.939 6.671 4.687 2.931 1.355 -0.081 -1.408 -2.656 -3.855 -5.035 -6.211 -7.309 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.575 11.591 8.979 6.712 4.729 2.975 1.401 -0.032 -1.354 -2.595 -3.782 -4.945 -6.101 -7.231 -7.970 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.600 11.620 9.010 6.743 4.761 3.008 1.436 0.006 -1.313 -2.548 -3.728 -4.877 -6.016 -7.145 -8.207 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.635 11.661 9.053 6.787 4.806 3.054 1.485 0.058 -1.256 -2.484 -3.652 -4.783 -5.895 -7.004 -8.196 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.668 11.700 9.094 6.829 4.849 3.099 1.532 0.109 -1.200 -2.421 -3.578 -4.692 -5.778 -6.857 -8.051 3.099 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.700 11.738 9.134 6.870 4.891 3.143 1.578 0.159 -1.146 -2.361 -3.508 -4.605 -5.666 -6.711 -7.862 -4.136 -0.939 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.729 11.774 9.172 6.910 4.932 3.185 1.623 0.207 -1.094 -2.302 -3.440 -4.521 -5.559 -6.570 -7.661 -5.849 -4.662 -2.608 0.376 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.757 11.809 9.210 6.948 4.972 3.226 1.666 0.253 -1.043 -2.246 -3.375 -4.442 -5.458 -6.436 -7.464 -6.603 -6.045 -5.095 -3.628 -1.642 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.784 11.843 9.246 6.986 5.010 3.266 1.709 0.299 -0.993 -2.191 -3.312 -4.367 -5.364 -6.312 -7.279 -7.014 -6.739 -6.249 -5.476 -4.366 -2.937 -1.326 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.809 11.875 9.281 7.022 5.048 3.305 1.750 0.343 -0.946 -2.138 -3.251 -4.295 -5.275 -6.197 -7.110 -7.260 -7.141 -6.887 -6.460 -5.822 -4.953 -3.871 -2.654 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.832 11.906 9.314 7.057 5.084 3.343 1.789 0.385 -0.899 -2.087 -3.193 -4.227 -5.193 -6.092 -6.960 -7.413 -7.390 -7.275 -7.044 -6.674 -6.143 -5.446 -4.599 -3.648 -2.659 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.854 11.936 9.347 7.091 5.119 3.380 1.828 0.427 -0.854 -2.037 -3.137 -4.162 -5.116 -5.998 -6.827 -7.508 -7.550 -7.524 -7.415 -7.209 -6.889 -6.445 -5.876 -5.196 -4.433 -3.628 -2.818 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.875 11.964 9.378 7.124 5.153 3.416 1.866 0.467 -0.810 -1.988 -3.083 -4.101 -5.045 -5.912 -6.713 -7.566 -7.653 -7.688 -7.661 -7.561 -7.379 -7.103 -6.730 -6.260 -5.703 -5.078 -4.411 -3.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.894 11.991 9.409 7.156 5.187 3.450 1.903 0.507 -0.767 -1.941 -3.031 -4.043 -4.978 -5.835 -6.615 -7.597 -7.717 -7.796 -7.827 -7.801 -7.713 -7.553 -7.316 -7.001 -6.608 -6.145 -5.625 -5.063 -4.474 -3.870 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.912 12.018 9.438 7.187 5.219 3.484 1.939 0.545 -0.726 -1.896 -2.981 -3.987 -4.916 -5.766 -6.532 -7.610 -7.755 -7.866 -7.939 -7.967 -7.945 -7.867 -7.729 -7.527 -7.259 -6.927 -6.538 -6.099 -5.620 -5.111 -4.577 99999.999 99999.999 99999.999 99999.999 99999.999 14.928 12.043 9.466 7.217 5.250 3.517 1.973 0.582 -0.685 -1.852 -2.932 -3.934 -4.858 -5.703 -6.463 -7.609 -7.774 -7.909 -8.013 -8.081 -8.108 -8.091 -8.025 -7.906 -7.733 -7.505 -7.224 -6.893 -6.519 -6.106 -5.661 -5.189 -4.693 99999.999 99999.999 99999.999 14.944 12.067 9.494 7.246 5.281 3.549 2.007 0.619 -0.646 -1.809 -2.885 -3.883 -4.804 -5.646 -6.403 -7.598 -7.778 -7.933 -8.061 -8.158 -8.223 -8.251 -8.239 -8.184 -8.083 -7.936 -7.742 -7.502 -7.219 -6.896 -6.537 -6.147 -5.727 -5.280 99999.999 99999.999 14.958 12.090 9.520 7.275 5.311 3.580 2.040 0.654 -0.607 -1.767 -2.839 -3.833 -4.752 -5.592 -6.351 -7.579 -7.771 -7.941 -8.088 -8.209 -8.303 -8.365 -8.395 -8.388 -8.344 -8.260 -8.135 -7.969 -7.763 -7.519 -7.239 -6.926 -6.581 -6.208 -5.805 -5.375 14.971 12.112 9.546 7.302 5.340 3.611 2.072 0.689 -0.570 -1.726 -2.795 -3.786 -4.701 -5.541 -6.302 -7.554 -7.756 -7.938 -8.100 -8.240 -8.356 -8.446 -8.507 -8.539 -8.538 -8.504 -8.434 -8.329 -8.188 -8.011 -7.800 -7.556 -7.281 -6.976 -6.643 -6.281 15.041 12.282 9.756 7.534 5.587 3.872 2.351 0.989 -0.244 -1.370 -2.406 -3.364 -4.253 -5.076 -5.835 -7.172 -7.411 -7.640 -7.861 -8.072 -8.274 -8.467 -8.650 -8.824 -8.988 -9.141 -9.285 -9.418 -9.540 -9.651 -9.750 -9.838 -9.913 -9.976 -10.027 -10.065 15.021 12.376 9.897 7.701 5.771 4.072 2.567 1.222 0.011 -1.090 -2.098 -3.028 -3.889 -4.687 -5.428 -6.753 -6.995 -7.230 -7.458 -7.679 -7.895 -8.104 -8.307 -8.504 -8.696 -8.882 -9.063 -9.239 -9.410 -9.576 -9.737 -9.893 -10.045 -10.192 -10.334 -10.472 14.930 12.409 9.984 7.816 5.907 4.224 2.733 1.405 0.212 -0.867 -1.852 -2.756 -3.592 -4.366 -5.084 -6.375 -6.613 -6.844 -7.069 -7.288 -7.502 -7.710 -7.914 -8.113 -8.308 -8.499 -8.685 -8.868 -9.048 -9.224 -9.398 -9.568 -9.736 -9.901 -10.064 -10.225 14.782 12.393 10.026 7.891 6.002 4.336 2.861 1.548 0.372 -0.689 -1.654 -2.536 -3.348 -4.099 -4.796 -6.048 -6.279 -6.503 -6.722 -6.936 -7.144 -7.348 -7.547 -7.741 -7.932 -8.119 -8.303 -8.484 -8.661 -8.836 -9.008 -9.178 -9.346 -9.512 -9.677 -9.840 14.588 12.338 10.031 7.931 6.065 4.417 2.957 1.659 0.497 -0.548 -1.494 -2.357 -3.149 -3.879 -4.555 -5.768 -5.991 -6.208 -6.420 -6.627 -6.829 -7.026 -7.219 -7.408 -7.593 -7.774 -7.952 -8.127 -8.299 -8.469 -8.636 -8.801 -8.965 -9.126 -9.286 -9.445 14.356 12.249 10.006 7.942 6.101 4.471 3.027 1.743 0.595 -0.435 -1.365 -2.211 -2.985 -3.695 -4.352 -5.528 -5.744 -5.955 -6.160 -6.360 -6.555 -6.746 -6.932 -7.114 -7.293 -7.468 -7.640 -7.809 -7.975 -8.138 -8.299 -8.458 -8.615 -8.771 -8.925 -9.078 14.092 12.133 9.955 7.929 6.114 4.503 3.074 1.804 0.670 -0.346 -1.262 -2.093 -2.850 -3.544 -4.183 -5.324 -5.534 -5.737 -5.936 -6.129 -6.318 -6.502 -6.682 -6.858 -7.031 -7.200 -7.365 -7.528 -7.688 -7.845 -8.000 -8.153 -8.304 -8.453 -8.601 -8.747 99999.999 11.994 9.883 7.895 6.106 4.515 3.102 1.846 0.726 -0.277 -1.181 -1.997 -2.740 -3.418 -4.042 -5.151 -5.354 -5.552 -5.744 -5.931 -6.114 -6.292 -6.466 -6.636 -6.802 -6.965 -7.125 -7.282 -7.436 -7.588 -7.737 -7.884 -8.029 -8.173 -8.315 -8.455 tridymite SiO2 P-T:All Wt.(g/mol) = 60.080 V(cc/mol) = 28.000 D(g/cc) = 2.146 Ref: H&P2011 2 1.000 7 -2.000 2 -3.618 -3.257 -3.003 -2.804 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.618 -3.257 -3.003 -2.804 -2.639 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.617 -3.257 -3.003 -2.804 -2.638 -2.496 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.617 -3.256 -3.002 -2.803 -2.638 -2.496 -2.371 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.617 -3.255 -3.001 -2.802 -2.637 -2.495 -2.370 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-2.252 -2.154 -2.067 -1.990 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.610 -3.245 -2.990 -2.790 -2.624 -2.482 -2.358 -2.247 -2.149 -2.061 -1.984 -1.919 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.607 -3.240 -2.984 -2.784 -2.618 -2.476 -2.351 -2.241 -2.142 -2.054 -1.977 -1.911 -1.858 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.604 -3.234 -2.977 -2.776 -2.610 -2.468 -2.343 -2.232 -2.133 -2.045 -1.967 -1.900 -1.845 -1.809 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.599 -3.226 -2.968 -2.767 -2.601 -2.458 -2.333 -2.222 -2.123 -2.034 -1.955 -1.887 -1.830 -1.789 -1.784 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.597 -3.221 -2.961 -2.760 -2.593 -2.450 -2.325 -2.214 -2.114 -2.025 -1.946 -1.877 -1.819 -1.775 -1.758 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.593 -3.213 -2.952 -2.750 -2.583 -2.440 -2.314 -2.203 -2.103 -2.013 -1.934 -1.863 -1.804 -1.757 -1.729 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.590 -3.206 -2.944 -2.741 -2.573 -2.430 -2.304 -2.192 -2.092 -2.002 -1.921 -1.850 -1.789 -1.739 -1.706 -1.880 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.588 -3.200 -2.936 -2.732 -2.564 -2.420 -2.294 -2.182 -2.081 -1.991 -1.910 -1.838 -1.775 -1.723 -1.685 -1.712 -1.778 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.587 -3.194 -2.928 -2.724 -2.555 -2.411 -2.284 -2.172 -2.071 -1.980 -1.898 -1.826 -1.762 -1.708 -1.666 -1.653 -1.676 -1.721 -1.792 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.586 -3.189 -2.921 -2.716 -2.547 -2.402 -2.275 -2.162 -2.061 -1.970 -1.888 -1.814 -1.749 -1.693 -1.649 -1.614 -1.623 -1.642 -1.675 -1.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.585 -3.184 -2.915 -2.708 -2.539 -2.394 -2.267 -2.153 -2.052 -1.960 -1.877 -1.803 -1.737 -1.680 -1.633 -1.584 -1.585 -1.593 -1.609 -1.635 -1.671 -1.716 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.585 -3.180 -2.909 -2.701 -2.531 -2.386 -2.258 -2.145 -2.043 -1.950 -1.867 -1.792 -1.725 -1.667 -1.618 -1.558 -1.555 -1.557 -1.564 -1.577 -1.597 -1.625 -1.660 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.586 -3.176 -2.903 -2.695 -2.524 -2.378 -2.250 -2.136 -2.034 -1.941 -1.857 -1.781 -1.714 -1.654 -1.603 -1.536 -1.530 -1.527 -1.528 -1.534 -1.545 -1.561 -1.583 -1.611 -1.642 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.588 -3.173 -2.898 -2.688 -2.517 -2.371 -2.242 -2.128 -2.025 -1.932 -1.848 -1.771 -1.703 -1.642 -1.590 -1.516 -1.508 -1.502 -1.499 -1.500 -1.505 -1.513 -1.527 -1.544 -1.566 -1.591 -1.617 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.589 -3.170 -2.893 -2.683 -2.510 -2.364 -2.235 -2.120 -2.017 -1.924 -1.839 -1.762 -1.692 -1.631 -1.577 -1.498 -1.487 -1.479 -1.474 -1.471 -1.471 -1.475 -1.482 -1.493 -1.507 -1.525 -1.544 -1.566 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.592 -3.168 -2.889 -2.677 -2.504 -2.357 -2.228 -2.113 -2.009 -1.915 -1.830 -1.752 -1.682 -1.619 -1.564 -1.481 -1.469 -1.459 -1.451 -1.446 -1.443 -1.443 -1.446 -1.451 -1.460 -1.471 -1.485 -1.501 -1.518 -1.536 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.595 -3.166 -2.885 -2.672 -2.499 -2.351 -2.221 -2.106 -2.002 -1.907 -1.821 -1.743 -1.672 -1.609 -1.553 -1.465 -1.452 -1.441 -1.431 -1.424 -1.418 -1.415 -1.415 -1.416 -1.421 -1.427 -1.436 -1.447 -1.460 -1.474 -1.488 99999.999 99999.999 99999.999 99999.999 99999.999 -3.598 -3.164 -2.881 -2.667 -2.493 -2.345 -2.215 -2.099 -1.994 -1.900 -1.813 -1.734 -1.663 -1.599 -1.541 -1.450 -1.436 -1.423 -1.412 -1.403 -1.396 -1.391 -1.387 -1.386 -1.387 -1.390 -1.395 -1.402 -1.411 -1.421 -1.432 -1.443 -1.455 99999.999 99999.999 99999.999 -3.602 -3.163 -2.878 -2.663 -2.488 -2.339 -2.208 -2.092 -1.987 -1.892 -1.805 -1.726 -1.654 -1.589 -1.530 -1.436 -1.421 -1.407 -1.395 -1.384 -1.376 -1.368 -1.363 -1.359 -1.358 -1.358 -1.360 -1.363 -1.369 -1.375 -1.383 -1.391 -1.401 -1.410 99999.999 99999.999 -3.606 -3.163 -2.875 -2.659 -2.483 -2.333 -2.203 -2.086 -1.981 -1.885 -1.798 -1.718 -1.645 -1.579 -1.520 -1.422 -1.407 -1.392 -1.379 -1.367 -1.357 -1.348 -1.341 -1.335 -1.331 -1.329 -1.328 -1.329 -1.332 -1.336 -1.340 -1.346 -1.353 -1.360 -1.367 -1.374 -3.611 -3.162 -2.873 -2.655 -2.479 -2.328 -2.197 -2.080 -1.974 -1.878 -1.790 -1.710 -1.637 -1.570 -1.510 -1.410 -1.393 -1.378 -1.364 -1.351 -1.339 -1.329 -1.321 -1.313 -1.308 -1.303 -1.301 -1.299 -1.299 -1.300 -1.303 -1.306 -1.310 -1.315 -1.320 -1.325 -3.681 -3.179 -2.865 -2.634 -2.448 -2.292 -2.155 -2.033 -1.923 -1.823 -1.730 -1.645 -1.566 -1.494 -1.426 -1.308 -1.286 -1.266 -1.246 -1.227 -1.209 -1.192 -1.175 -1.159 -1.144 -1.130 -1.116 -1.104 -1.091 -1.080 -1.069 -1.059 -1.050 -1.041 -1.032 -1.025 -3.785 -3.226 -2.885 -2.638 -2.442 -2.277 -2.134 -2.007 -1.892 -1.787 -1.690 -1.601 -1.517 -1.440 -1.367 -1.236 -1.212 -1.189 -1.166 -1.144 -1.122 -1.102 -1.081 -1.062 -1.043 -1.024 -1.006 -0.989 -0.972 -0.956 -0.940 -0.925 -0.910 -0.895 -0.881 -0.868 -3.916 -3.297 -2.927 -2.663 -2.455 -2.281 -2.131 -1.998 -1.878 -1.768 -1.667 -1.573 -1.485 -1.403 -1.326 -1.185 -1.159 -1.133 -1.109 -1.084 -1.060 -1.037 -1.015 -0.993 -0.971 -0.950 -0.929 -0.909 -0.890 -0.871 -0.852 -0.833 -0.816 -0.798 -0.781 -0.764 -4.071 -3.388 -2.988 -2.705 -2.484 -2.301 -2.143 -2.003 -1.877 -1.762 -1.656 -1.557 -1.465 -1.379 -1.298 -1.149 -1.121 -1.094 -1.067 -1.041 -1.016 -0.991 -0.966 -0.942 -0.919 -0.896 -0.873 -0.851 -0.829 -0.808 -0.787 -0.767 -0.747 -0.727 -0.708 -0.689 -4.244 -3.497 -3.064 -2.761 -2.526 -2.332 -2.166 -2.019 -1.887 -1.767 -1.656 -1.553 -1.457 -1.367 -1.281 -1.125 -1.095 -1.066 -1.038 -1.011 -0.984 -0.957 -0.931 -0.905 -0.880 -0.856 -0.832 -0.808 -0.785 -0.762 -0.739 -0.717 -0.696 -0.674 -0.654 -0.633 -4.433 -3.620 -3.153 -2.830 -2.580 -2.375 -2.200 -2.046 -1.908 -1.782 -1.666 -1.558 -1.458 -1.363 -1.274 -1.110 -1.079 -1.049 -1.020 -0.990 -0.962 -0.934 -0.907 -0.880 -0.853 -0.827 -0.802 -0.777 -0.752 -0.728 -0.704 -0.680 -0.657 -0.635 -0.612 -0.590 -4.636 -3.755 -3.254 -2.909 -2.644 -2.428 -2.243 -2.081 -1.937 -1.805 -1.684 -1.572 -1.467 -1.368 -1.275 -1.104 -1.072 -1.040 -1.009 -0.979 -0.949 -0.920 -0.891 -0.863 -0.835 -0.808 -0.781 -0.755 -0.729 -0.703 -0.678 -0.654 -0.629 -0.605 -0.582 -0.559 99999.999 -3.902 -3.366 -2.998 -2.717 -2.489 -2.295 -2.125 -1.973 -1.835 -1.709 -1.592 -1.483 -1.380 -1.283 -1.105 -1.071 -1.038 -1.006 -0.974 -0.943 -0.913 -0.883 -0.853 -0.824 -0.796 -0.768 -0.740 -0.713 -0.687 -0.661 -0.635 -0.609 -0.585 -0.560 -0.536 tremolite Ca2Mg5Si8O24H2 Ssln ID, Coef: 2 5.000 P-T:All Wt.(g/mol) = 812.410 V(cc/mol) = 272.700 D(g/cc) = 2.979 Ref: H&P2011 5 2.000 9 5.000 10 8.000 7 -8.000 2 -14.000 1 73.240 65.603 58.782 52.862 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.240 65.603 58.782 52.862 47.733 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.243 65.607 58.786 52.866 47.736 43.260 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.248 65.613 58.792 52.873 47.743 43.268 39.319 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.257 65.623 58.804 52.884 47.755 43.280 39.332 35.803 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.271 65.640 58.821 52.902 47.774 43.299 39.352 35.825 32.625 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.291 65.665 58.848 52.930 47.802 43.328 39.383 35.857 32.660 29.705 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.320 65.700 58.885 52.968 47.841 43.369 39.426 35.903 32.711 29.761 26.960 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.358 65.747 58.935 53.020 47.895 43.425 39.485 35.966 32.779 29.838 27.050 24.321 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.408 65.809 59.002 53.089 47.966 43.499 39.562 36.049 32.870 29.939 27.168 24.466 21.759 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.469 65.887 59.085 53.176 48.056 43.592 39.661 36.155 32.985 30.068 27.319 24.651 21.988 19.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.541 65.982 59.189 53.284 48.168 43.710 39.785 36.288 33.130 30.230 27.508 24.882 22.278 19.641 17.240 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.593 66.052 59.266 53.365 48.253 43.798 39.878 36.388 33.239 30.351 27.649 25.056 22.497 19.902 17.158 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.661 66.147 59.372 53.477 48.369 43.920 40.007 36.527 33.390 30.520 27.846 25.295 22.802 20.284 17.474 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.721 66.235 59.472 53.583 48.480 44.037 40.131 36.660 33.535 30.683 28.034 25.524 23.093 20.660 17.936 30.808 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.773 66.317 59.565 53.684 48.586 44.149 40.250 36.788 33.675 30.839 28.214 25.742 23.369 21.022 18.432 21.953 25.588 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.818 66.393 59.654 53.779 48.687 44.255 40.364 36.911 33.810 30.989 28.386 25.949 23.630 21.365 18.922 19.960 21.124 23.321 26.459 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.856 66.463 59.737 53.869 48.784 44.358 40.474 37.029 33.939 31.133 28.551 26.147 23.876 21.686 19.386 19.183 19.568 20.429 21.893 23.878 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.887 66.526 59.814 53.955 48.875 44.456 40.579 37.143 34.064 31.271 28.710 26.334 24.107 21.985 19.817 18.834 18.872 19.174 19.815 20.839 22.177 23.599 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.911 66.584 59.887 54.036 48.962 44.549 40.679 37.252 34.183 31.404 28.861 26.512 24.324 22.261 20.210 18.684 18.536 18.555 18.783 19.259 19.991 20.930 21.947 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.929 66.637 59.954 54.112 49.045 44.638 40.776 37.357 34.298 31.532 29.006 26.681 24.527 22.516 20.564 18.643 18.383 18.238 18.235 18.398 18.746 19.276 19.950 20.694 21.410 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.941 66.684 60.017 54.184 49.124 44.723 40.868 37.457 34.409 31.655 29.145 26.841 24.717 22.749 20.880 18.666 18.334 18.087 17.942 17.916 18.023 18.272 18.655 19.146 19.698 20.256 20.769 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.946 66.727 60.075 54.251 49.198 44.804 40.956 37.554 34.515 31.774 29.278 26.993 24.894 22.962 21.158 18.729 18.348 18.033 17.796 17.647 17.599 17.659 17.830 18.105 18.465 18.880 19.318 19.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.946 66.764 60.129 54.314 49.269 44.881 41.040 37.647 34.618 31.887 29.406 27.138 25.060 23.157 21.403 18.819 18.403 18.042 17.741 17.510 17.357 17.287 17.308 17.418 17.612 17.876 18.192 18.540 18.902 19.267 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.939 66.796 60.178 54.374 49.336 44.955 41.121 37.736 34.716 31.997 29.528 27.276 25.216 23.336 21.618 18.926 18.485 18.091 17.746 17.457 17.230 17.070 16.983 16.971 17.033 17.165 17.358 17.600 17.880 18.186 18.513 99999.999 99999.999 99999.999 99999.999 99999.999 73.928 66.824 60.223 54.429 49.399 45.025 41.198 37.821 34.811 32.102 29.646 27.407 25.363 23.499 21.806 19.044 18.586 18.167 17.790 17.460 17.180 16.956 16.791 16.688 16.650 16.674 16.759 16.898 17.084 17.311 17.572 17.865 18.187 99999.999 99999.999 99999.999 73.910 66.847 60.264 54.480 49.458 45.091 41.272 37.902 34.901 32.203 29.759 27.532 25.501 23.651 21.974 19.170 18.699 18.262 17.862 17.501 17.183 16.911 16.688 16.518 16.403 16.343 16.339 16.387 16.485 16.629 16.814 17.038 17.299 17.596 99999.999 99999.999 73.888 66.865 60.301 54.528 49.514 45.154 41.342 37.980 34.989 32.301 29.867 27.652 25.633 23.793 22.126 19.300 18.820 18.370 17.952 17.569 17.222 16.915 16.649 16.428 16.254 16.129 16.052 16.024 16.045 16.111 16.222 16.374 16.566 16.799 17.071 17.387 73.860 66.879 60.334 54.572 49.566 45.214 41.409 38.055 35.072 32.395 29.972 27.768 25.759 23.929 22.268 19.434 18.946 18.487 18.056 17.656 17.288 16.954 16.656 16.396 16.177 15.999 15.865 15.776 15.730 15.729 15.771 15.854 15.979 16.145 16.351 16.599 73.326 66.803 60.469 54.834 49.920 45.645 41.915 38.640 35.742 33.156 30.833 28.731 26.823 25.085 23.502 20.740 20.245 19.768 19.308 18.865 18.438 18.026 17.630 17.249 16.884 16.534 16.199 15.880 15.578 15.291 15.022 14.770 14.535 14.320 14.122 13.945 72.397 66.392 60.304 54.819 50.012 45.825 42.174 38.975 36.157 33.656 31.420 29.410 27.592 25.944 24.445 21.829 21.359 20.905 20.465 20.040 19.628 19.228 18.841 18.465 18.100 17.745 17.401 17.065 16.739 16.422 16.114 15.814 15.522 15.239 14.963 14.695 71.155 65.714 59.900 54.583 49.896 45.804 42.236 39.116 36.374 33.951 31.796 29.869 28.135 26.569 25.150 22.686 22.245 21.818 21.406 21.008 20.622 20.247 19.884 19.532 19.189 18.855 18.530 18.213 17.904 17.601 17.305 17.015 16.731 16.453 16.179 15.910 69.657 64.816 59.298 54.164 49.608 45.620 42.139 39.098 36.432 34.084 32.005 30.154 28.497 27.008 25.665 23.346 22.932 22.534 22.149 21.778 21.418 21.071 20.734 20.408 20.090 19.782 19.482 19.190 18.905 18.626 18.353 18.086 17.824 17.567 17.313 17.064 67.949 63.737 58.532 53.594 49.178 45.299 41.910 38.950 36.359 34.083 32.076 30.297 28.712 27.295 26.023 23.840 23.454 23.081 22.723 22.377 22.044 21.722 21.411 21.109 20.818 20.535 20.260 19.992 19.732 19.478 19.230 18.987 18.749 18.516 18.286 18.061 66.064 62.504 57.626 52.895 48.626 44.862 41.568 38.691 36.176 33.972 32.033 30.322 28.806 27.456 26.250 24.197 23.835 23.488 23.154 22.833 22.524 22.226 21.939 21.661 21.393 21.134 20.882 20.638 20.401 20.171 19.946 19.727 19.512 19.303 19.097 18.894 64.029 61.140 56.601 52.084 47.969 44.325 41.130 38.338 35.899 33.766 31.895 30.249 28.798 27.512 26.368 24.437 24.099 23.775 23.464 23.166 22.879 22.604 22.339 22.084 21.838 21.601 21.371 21.149 20.934 20.725 20.522 20.325 20.132 19.944 19.760 19.579 99999.999 59.663 55.473 51.177 47.222 43.701 40.608 37.903 35.542 33.479 31.674 30.092 28.702 27.477 26.393 24.577 24.261 23.959 23.670 23.394 23.129 22.875 22.631 22.397 22.171 21.954 21.745 21.544 21.349 21.160 20.977 20.799 20.626 20.458 20.293 20.132 ferroactinolite Ca2Fe5Si8O24H2 Ssln ID, Coef: 2 5.000 P-T:All Wt.(g/mol) = 970.080 V(cc/mol) = 284.200 D(g/cc) = 3.413 Ref: H&P2011 5 2.000 9 5.000 11 8.000 7 -8.000 2 -14.000 1 60.437 53.903 47.989 42.815 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.437 53.903 47.989 42.815 38.305 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.440 53.907 47.993 42.819 38.309 34.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.445 53.914 48.000 42.827 38.316 34.358 30.845 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.455 53.926 48.012 42.839 38.329 34.371 30.859 27.700 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.471 53.944 48.032 42.859 38.349 34.392 30.880 27.722 24.839 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.494 53.971 48.060 42.888 38.379 34.423 30.913 27.757 24.875 22.191 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.526 54.010 48.101 42.930 38.422 34.467 30.958 27.805 24.928 22.249 19.683 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.569 54.062 48.157 42.987 38.480 34.526 31.021 27.871 24.999 22.328 19.774 17.250 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.625 54.131 48.229 43.062 38.556 34.605 31.103 27.958 25.093 22.432 19.895 17.396 14.865 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.694 54.217 48.321 43.157 38.654 34.706 31.208 28.069 25.213 22.565 20.049 17.583 15.095 12.574 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.777 54.324 48.436 43.276 38.776 34.832 31.340 28.209 25.363 22.731 20.241 17.817 15.386 12.892 10.527 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.837 54.402 48.522 43.364 38.868 34.927 31.439 28.315 25.477 22.857 20.385 17.992 15.607 13.156 10.504 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.916 54.510 48.639 43.487 38.994 35.058 31.577 28.461 25.635 23.032 20.586 18.234 15.912 13.540 10.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.988 54.610 48.751 43.604 39.116 35.185 31.710 28.602 25.787 23.200 20.778 18.465 16.203 13.915 11.319 22.387 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.052 54.704 48.856 43.716 39.232 35.306 31.837 28.738 25.934 23.361 20.963 18.686 16.480 14.275 11.814 14.710 17.809 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.108 54.792 48.956 43.823 39.344 35.423 31.960 28.869 26.075 23.517 21.140 18.896 16.741 14.616 12.298 13.004 13.957 15.797 18.402 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.157 54.873 49.051 43.924 39.450 35.534 32.078 28.995 26.212 23.667 21.310 19.096 16.988 14.935 12.756 12.363 12.637 13.322 14.521 16.142 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.199 54.949 49.140 44.020 39.552 35.642 32.192 29.116 26.343 23.811 21.473 19.287 17.221 15.233 13.181 12.095 12.068 12.268 12.759 13.573 14.640 15.745 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.234 55.019 49.224 44.112 39.650 35.744 32.301 29.233 26.469 23.950 21.629 19.468 17.439 15.509 13.568 12.001 11.812 11.767 11.902 12.247 12.807 13.532 14.302 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.263 55.083 49.303 44.199 39.742 35.843 32.406 29.346 26.591 24.084 21.779 19.641 17.644 15.763 13.919 12.000 11.715 11.529 11.464 11.541 11.774 12.159 12.657 13.201 13.702 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.285 55.142 49.377 44.282 39.831 35.937 32.506 29.454 26.709 24.213 21.923 19.805 17.837 15.998 14.232 12.054 11.707 11.434 11.247 11.161 11.189 11.335 11.593 11.936 12.321 12.698 13.024 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.301 55.196 49.446 44.360 39.915 36.027 32.603 29.558 26.822 24.337 22.061 19.961 18.017 16.213 14.510 12.142 11.754 11.422 11.156 10.966 10.861 10.847 10.926 11.091 11.323 11.596 11.880 12.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.312 55.244 49.511 44.434 39.996 36.114 32.696 29.658 26.931 24.457 22.194 20.110 18.187 16.410 14.756 12.251 11.834 11.463 11.144 10.883 10.688 10.565 10.517 10.544 10.639 10.791 10.983 11.196 11.416 11.633 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.316 55.288 49.571 44.503 40.073 36.196 32.785 29.755 27.036 24.572 22.321 20.252 18.346 16.591 14.972 12.375 11.937 11.538 11.181 10.872 10.615 10.415 10.276 10.200 10.186 10.230 10.323 10.454 10.615 10.795 10.989 99999.999 99999.999 99999.999 99999.999 99999.999 61.315 55.327 49.627 44.569 40.145 36.275 32.870 29.847 27.137 24.684 22.444 20.388 18.497 16.759 15.164 12.507 12.055 11.636 11.252 10.908 10.607 10.352 10.147 9.996 9.897 9.852 9.856 9.905 9.992 10.112 10.259 10.432 10.630 99999.999 99999.999 99999.999 61.308 55.361 49.679 44.631 40.214 36.351 32.952 29.937 27.235 24.791 22.562 20.518 18.639 16.915 15.336 12.645 12.182 11.749 11.346 10.976 10.643 10.348 10.095 9.887 9.724 9.608 9.539 9.513 9.529 9.583 9.671 9.791 9.943 10.127 99999.999 99999.999 61.296 55.390 49.727 44.689 40.280 36.423 33.030 30.022 27.329 24.894 22.676 20.643 18.775 17.061 15.492 12.786 12.316 11.872 11.455 11.067 10.710 10.386 10.097 9.846 9.634 9.463 9.333 9.245 9.197 9.188 9.216 9.279 9.377 9.509 9.677 9.883 61.278 55.416 49.771 44.744 40.342 36.491 33.106 30.105 27.420 24.994 22.786 20.763 18.906 17.201 15.639 12.929 12.454 12.002 11.575 11.173 10.798 10.452 10.136 9.853 9.603 9.389 9.212 9.072 8.970 8.905 8.876 8.884 8.927 9.005 9.120 9.271 60.844 55.447 50.011 45.106 40.790 37.011 33.693 30.763 28.156 25.817 23.701 21.774 20.013 18.398 16.915 14.293 13.818 13.358 12.912 12.480 12.062 11.656 11.264 10.885 10.518 10.164 9.823 9.496 9.182 8.882 8.596 8.325 8.070 7.830 7.607 7.401 60.010 55.139 49.948 45.187 40.973 37.276 34.031 31.172 28.638 26.376 24.342 22.501 20.826 19.296 17.894 15.418 14.969 14.533 14.109 13.698 13.297 12.908 12.528 12.158 11.798 11.446 11.102 10.766 10.438 10.118 9.804 9.498 9.199 8.906 8.621 8.341 58.857 54.559 49.641 45.044 40.945 37.338 34.171 31.384 28.922 26.732 24.773 23.010 21.413 19.961 18.636 16.307 15.885 15.476 15.080 14.695 14.321 13.957 13.602 13.257 12.919 12.590 12.267 11.952 11.642 11.339 11.041 10.748 10.460 10.176 9.896 9.620 57.447 53.757 49.134 44.717 40.744 37.234 34.150 31.437 29.045 26.925 25.037 23.345 21.820 20.440 19.187 16.996 16.601 16.220 15.850 15.491 15.143 14.805 14.477 14.157 13.845 13.541 13.243 12.952 12.667 12.388 12.114 11.844 11.578 11.316 11.058 10.803 55.823 52.771 48.460 44.235 40.398 36.993 33.995 31.358 29.037 26.984 25.163 23.538 22.082 20.769 19.582 17.521 17.152 16.795 16.451 16.117 15.794 15.481 15.177 14.881 14.594 14.314 14.041 13.774 13.513 13.258 13.008 12.762 12.520 12.282 12.048 11.816 54.020 51.629 47.645 43.623 39.928 36.633 33.726 31.168 28.918 26.932 25.176 23.615 22.222 20.973 19.849 17.909 17.564 17.231 16.910 16.599 16.299 16.009 15.728 15.455 15.191 14.934 14.683 14.439 14.201 13.969 13.741 13.518 13.299 13.084 12.872 12.663 52.064 50.354 46.709 42.898 39.353 36.174 33.360 30.883 28.705 26.786 25.093 23.593 22.261 21.072 20.006 18.182 17.859 17.548 17.249 16.960 16.682 16.413 16.153 15.902 15.658 15.422 15.193 14.970 14.753 14.541 14.334 14.132 13.934 13.739 13.548 13.360 99999.999 48.964 45.667 42.075 38.686 35.626 32.910 30.516 28.410 26.558 24.927 23.487 22.213 21.081 20.072 18.356 18.054 17.764 17.485 17.217 16.959 16.710 16.471 16.239 16.015 15.799 15.589 15.385 15.187 14.994 14.806 14.623 14.444 14.268 14.096 13.926 troilite-low FeS P-T:All Wt.(g/mol) = 87.905 V(cc/mol) = 18.180 D(g/cc) = 4.835 Ref: H&P2011 3 1.000 11 1.000 6 -1.000 1 -3.949 -4.008 -4.120 -4.262 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.949 -4.008 -4.120 -4.262 -4.428 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.948 -4.008 -4.120 -4.262 -4.427 -4.614 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.947 -4.007 -4.119 -4.261 -4.427 -4.614 -4.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.945 -4.005 -4.117 -4.260 -4.425 -4.612 -4.821 -5.054 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.943 -4.003 -4.115 -4.257 -4.423 -4.609 -4.818 -5.050 -5.310 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.938 -3.999 -4.112 -4.254 -4.419 -4.606 -4.814 -5.046 -5.304 -5.596 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.932 -3.994 -4.107 -4.249 -4.414 -4.601 -4.808 -5.039 -5.296 -5.586 -5.922 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.924 -3.987 -4.100 -4.243 -4.408 -4.593 -4.800 -5.030 -5.285 -5.573 -5.904 -6.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.913 -3.978 -4.092 -4.234 -4.399 -4.584 -4.789 -5.017 -5.271 -5.555 -5.881 -6.267 -6.737 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.899 -3.966 -4.081 -4.223 -4.387 -4.571 -4.776 -5.002 -5.252 -5.532 -5.851 -6.226 -6.679 -7.242 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.881 -3.951 -4.066 -4.209 -4.373 -4.556 -4.758 -4.982 -5.229 -5.503 -5.815 -6.176 -6.607 -7.141 -7.849 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.867 -3.939 -4.055 -4.198 -4.362 -4.544 -4.745 -4.967 -5.211 -5.482 -5.787 -6.139 -6.554 -7.064 -7.768 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.848 -3.923 -4.040 -4.183 -4.346 -4.527 -4.726 -4.945 -5.186 -5.452 -5.749 -6.088 -6.482 -6.959 -7.619 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.829 -3.907 -4.025 -4.168 -4.331 -4.511 -4.708 -4.925 -5.162 -5.423 -5.713 -6.039 -6.414 -6.860 -7.467 -6.442 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.811 -3.891 -4.011 -4.154 -4.316 -4.495 -4.691 -4.905 -5.139 -5.395 -5.678 -5.993 -6.350 -6.768 -7.322 -7.188 -6.980 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.794 -3.876 -3.996 -4.140 -4.301 -4.479 -4.673 -4.885 -5.116 -5.368 -5.644 -5.950 -6.291 -6.683 -7.187 -7.321 -7.320 -7.253 -7.200 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.777 -3.861 -3.982 -4.126 -4.287 -4.464 -4.656 -4.866 -5.094 -5.342 -5.612 -5.908 -6.235 -6.604 -7.064 -7.338 -7.404 -7.438 -7.441 -7.457 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.761 -3.847 -3.969 -4.112 -4.273 -4.449 -4.640 -4.847 -5.072 -5.316 -5.581 -5.869 -6.183 -6.532 -6.952 -7.318 -7.411 -7.488 -7.546 -7.591 -7.648 -7.763 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.745 -3.833 -3.955 -4.099 -4.259 -4.434 -4.624 -4.829 -5.051 -5.292 -5.551 -5.832 -6.134 -6.465 -6.852 -7.283 -7.388 -7.485 -7.571 -7.647 -7.718 -7.800 -7.917 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.729 -3.819 -3.942 -4.086 -4.245 -4.419 -4.608 -4.811 -5.031 -5.268 -5.523 -5.796 -6.089 -6.404 -6.762 -7.240 -7.352 -7.459 -7.560 -7.654 -7.743 -7.831 -7.928 -8.047 -8.202 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.714 -3.806 -3.929 -4.073 -4.232 -4.405 -4.592 -4.794 -5.011 -5.245 -5.495 -5.762 -6.046 -6.349 -6.683 -7.194 -7.309 -7.422 -7.530 -7.635 -7.735 -7.833 -7.932 -8.038 -8.158 -8.300 -8.468 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.699 -3.793 -3.917 -4.060 -4.219 -4.391 -4.577 -4.777 -4.992 -5.222 -5.469 -5.730 -6.007 -6.298 -6.612 -7.148 -7.264 -7.378 -7.491 -7.602 -7.709 -7.815 -7.919 -8.024 -8.135 -8.255 -8.388 -8.535 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.685 -3.780 -3.905 -4.048 -4.206 -4.378 -4.562 -4.760 -4.973 -5.200 -5.443 -5.700 -5.970 -6.252 -6.551 -7.100 -7.217 -7.332 -7.447 -7.561 -7.672 -7.783 -7.891 -8.000 -8.109 -8.222 -8.341 -8.466 -8.599 -8.738 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.671 -3.767 -3.893 -4.036 -4.194 -4.365 -4.548 -4.744 -4.954 -5.179 -5.418 -5.670 -5.935 -6.210 -6.497 -7.053 -7.169 -7.285 -7.401 -7.515 -7.630 -7.743 -7.855 -7.966 -8.077 -8.188 -8.302 -8.417 -8.536 -8.658 -8.781 99999.999 99999.999 99999.999 99999.999 99999.999 -3.658 -3.755 -3.881 -4.024 -4.182 -4.351 -4.533 -4.728 -4.936 -5.158 -5.394 -5.642 -5.902 -6.171 -6.449 -7.007 -7.122 -7.237 -7.353 -7.468 -7.583 -7.698 -7.812 -7.925 -8.037 -8.150 -8.262 -8.374 -8.487 -8.600 -8.713 -8.824 -8.931 99999.999 99999.999 99999.999 -3.645 -3.743 -3.869 -4.013 -4.170 -4.339 -4.519 -4.712 -4.918 -5.138 -5.371 -5.615 -5.871 -6.135 -6.406 -6.962 -7.076 -7.190 -7.305 -7.420 -7.535 -7.650 -7.765 -7.880 -7.993 -8.106 -8.219 -8.330 -8.441 -8.551 -8.659 -8.764 -8.866 -8.962 99999.999 99999.999 -3.632 -3.732 -3.858 -4.001 -4.158 -4.326 -4.506 -4.697 -4.901 -5.118 -5.348 -5.589 -5.841 -6.101 -6.367 -6.918 -7.030 -7.143 -7.257 -7.372 -7.487 -7.602 -7.717 -7.831 -7.946 -8.059 -8.172 -8.284 -8.395 -8.503 -8.610 -8.713 -8.813 -8.907 -8.995 -9.075 -3.620 -3.720 -3.847 -3.990 -4.146 -4.314 -4.492 -4.682 -4.884 -5.099 -5.326 -5.564 -5.812 -6.068 -6.331 -6.874 -6.985 -7.097 -7.210 -7.324 -7.438 -7.552 -7.667 -7.782 -7.896 -8.010 -8.123 -8.236 -8.346 -8.455 -8.562 -8.665 -8.764 -8.859 -8.947 -9.029 -3.516 -3.620 -3.747 -3.889 -4.041 -4.201 -4.370 -4.547 -4.732 -4.927 -5.130 -5.342 -5.561 -5.787 -6.017 -6.493 -6.591 -6.689 -6.789 -6.889 -6.990 -7.092 -7.194 -7.298 -7.403 -7.508 -7.614 -7.720 -7.827 -7.933 -8.040 -8.146 -8.252 -8.356 -8.460 -8.562 -3.440 -3.540 -3.665 -3.803 -3.951 -4.106 -4.266 -4.433 -4.605 -4.784 -4.969 -5.161 -5.358 -5.560 -5.766 -6.190 -6.276 -6.363 -6.451 -6.539 -6.628 -6.718 -6.808 -6.899 -6.991 -7.084 -7.178 -7.272 -7.367 -7.463 -7.559 -7.656 -7.754 -7.852 -7.950 -8.049 -3.388 -3.478 -3.597 -3.731 -3.874 -4.023 -4.177 -4.335 -4.497 -4.663 -4.834 -5.009 -5.189 -5.372 -5.559 -5.940 -6.017 -6.095 -6.174 -6.252 -6.332 -6.412 -6.492 -6.574 -6.655 -6.738 -6.821 -6.905 -6.989 -7.075 -7.161 -7.247 -7.335 -7.423 -7.512 -7.601 -3.354 -3.428 -3.541 -3.670 -3.807 -3.951 -4.099 -4.250 -4.403 -4.559 -4.718 -4.880 -5.045 -5.213 -5.383 -5.730 -5.800 -5.870 -5.941 -6.013 -6.084 -6.156 -6.229 -6.302 -6.375 -6.449 -6.524 -6.599 -6.675 -6.752 -6.829 -6.907 -6.985 -7.064 -7.144 -7.225 -3.334 -3.390 -3.494 -3.617 -3.749 -3.888 -4.030 -4.174 -4.320 -4.468 -4.617 -4.768 -4.921 -5.076 -5.232 -5.549 -5.614 -5.678 -5.743 -5.808 -5.873 -5.939 -6.005 -6.071 -6.138 -6.205 -6.273 -6.341 -6.409 -6.479 -6.549 -6.619 -6.690 -6.762 -6.834 -6.907 -3.326 -3.361 -3.455 -3.572 -3.699 -3.832 -3.969 -4.107 -4.247 -4.387 -4.528 -4.670 -4.812 -4.956 -5.100 -5.393 -5.452 -5.511 -5.571 -5.631 -5.690 -5.751 -5.811 -5.872 -5.933 -5.995 -6.056 -6.119 -6.182 -6.245 -6.309 -6.373 -6.438 -6.503 -6.570 -6.636 -3.329 -3.339 -3.423 -3.533 -3.654 -3.782 -3.914 -4.047 -4.181 -4.315 -4.449 -4.582 -4.716 -4.850 -4.985 -5.256 -5.311 -5.365 -5.420 -5.475 -5.531 -5.586 -5.642 -5.698 -5.755 -5.811 -5.868 -5.926 -5.984 -6.042 -6.101 -6.160 -6.220 -6.280 -6.341 -6.403 99999.999 -3.324 -3.397 -3.500 -3.615 -3.738 -3.865 -3.993 -4.122 -4.250 -4.377 -4.504 -4.630 -4.756 -4.882 -5.134 -5.185 -5.236 -5.287 -5.338 -5.390 -5.441 -5.493 -5.545 -5.598 -5.650 -5.703 -5.756 -5.810 -5.864 -5.919 -5.974 -6.029 -6.085 -6.142 -6.199 tschermakite Ca2Mg3Al4Si6O24H2 P-T:All Wt.(g/mol) = 815.540 V(cc/mol) = 268.000 D(g/cc) = 3.043 Ref: H&P2011 5 2.000 9 3.000 10 4.000 8 6.000 7 -22.000 1 89.502 76.888 65.867 56.321 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.502 76.888 65.867 56.321 48.004 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.507 76.894 65.873 56.327 48.009 40.683 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.516 76.904 65.883 56.337 48.020 40.693 34.156 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.532 76.921 65.900 56.355 48.037 40.711 34.175 28.263 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.558 76.948 65.928 56.383 48.065 40.740 34.205 28.295 22.873 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.596 76.989 65.969 56.424 48.107 40.783 34.250 28.343 22.925 17.867 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.649 77.047 66.028 56.483 48.167 40.845 34.314 28.411 22.999 17.949 13.123 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.722 77.126 66.109 56.564 48.249 40.928 34.402 28.504 23.100 18.062 13.255 8.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.818 77.231 66.215 56.671 48.357 41.039 34.517 28.626 23.233 18.210 13.428 8.757 4.132 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.939 77.364 66.351 56.808 48.496 41.181 34.666 28.784 23.404 18.401 13.651 9.029 4.455 0.079 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.089 77.531 66.522 56.981 48.670 41.361 34.853 28.983 23.619 18.641 13.931 9.372 4.876 0.446 -2.993 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.201 77.656 66.651 57.111 48.803 41.497 34.995 29.134 23.782 18.822 14.142 9.631 5.200 0.796 -3.537 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.356 77.831 66.831 57.294 48.989 41.688 35.194 29.346 24.011 19.076 14.436 9.991 5.655 1.340 -3.305 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.501 77.998 67.005 57.471 49.169 41.873 35.387 29.550 24.232 19.321 14.719 10.336 6.093 1.895 -2.701 28.047 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.640 78.159 67.173 57.642 49.343 42.052 35.574 29.749 24.446 19.558 14.992 10.666 6.512 2.440 -1.982 7.369 16.215 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.770 78.314 67.335 57.808 49.512 42.226 35.756 29.942 24.655 19.788 15.254 10.982 6.911 2.961 -1.243 2.535 5.628 11.181 19.258 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.893 78.462 67.492 57.968 49.676 42.395 35.933 30.130 24.856 20.010 15.507 11.283 7.287 3.453 -0.528 0.474 1.761 4.167 8.035 13.310 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 91.009 78.604 67.643 58.123 49.835 42.559 36.104 30.312 25.053 20.225 15.751 11.571 7.642 3.913 0.141 -0.599 -0.124 0.969 2.870 5.716 9.426 13.563 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 91.118 78.741 67.789 58.274 49.989 42.719 36.271 30.489 25.243 20.434 15.986 11.845 7.975 4.337 0.752 -1.200 -1.170 -0.748 0.169 1.684 3.847 6.582 9.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 91.221 78.871 67.929 58.419 50.139 42.873 36.433 30.660 25.428 20.636 16.212 12.106 8.287 4.728 1.302 -1.538 -1.781 -1.753 -1.392 -0.632 0.581 2.259 4.341 6.682 9.083 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 91.316 78.996 68.065 58.560 50.284 43.023 36.590 30.827 25.608 20.832 16.430 12.355 8.579 5.084 1.789 -1.715 -2.139 -2.363 -2.347 -2.049 -1.427 -0.455 0.865 2.486 4.317 6.240 8.142 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 91.406 79.116 68.196 58.697 50.425 43.169 36.743 30.990 25.782 21.023 16.641 12.592 8.852 5.409 2.215 -1.788 -2.337 -2.732 -2.946 -2.949 -2.712 -2.211 -1.433 -0.385 0.898 2.358 3.922 5.521 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 91.490 79.231 68.322 58.829 50.561 43.311 36.892 31.148 25.952 21.207 16.844 12.818 9.108 5.704 2.584 -1.788 -2.429 -2.946 -3.319 -3.530 -3.556 -3.378 -2.981 -2.360 -1.522 -0.494 0.687 1.977 3.332 4.721 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 91.567 79.341 68.443 58.956 50.694 43.449 37.037 31.301 26.117 21.387 17.040 13.035 9.348 5.973 2.903 -1.739 -2.448 -3.054 -3.543 -3.902 -4.115 -4.166 -4.042 -3.734 -3.241 -2.569 -1.737 -0.769 0.307 1.465 2.685 99999.999 99999.999 99999.999 99999.999 99999.999 91.639 79.445 68.561 59.080 50.823 43.583 37.177 31.451 26.278 21.561 17.230 13.242 9.574 6.219 3.179 -1.653 -2.414 -3.087 -3.663 -4.131 -4.481 -4.699 -4.775 -4.700 -4.468 -4.080 -3.541 -2.862 -2.061 -1.154 -0.158 0.916 2.061 99999.999 99999.999 99999.999 91.705 79.545 68.674 59.200 50.947 43.713 37.314 31.596 26.434 21.730 17.414 13.441 9.788 6.447 3.420 -1.542 -2.343 -3.067 -3.709 -4.260 -4.711 -5.054 -5.280 -5.380 -5.349 -5.182 -4.880 -4.448 -3.893 -3.225 -2.455 -1.593 -0.646 0.383 99999.999 99999.999 91.766 79.641 68.782 59.315 51.068 43.839 37.447 31.738 26.586 21.895 17.593 13.634 9.993 6.660 3.637 -1.410 -2.243 -3.008 -3.700 -4.315 -4.845 -5.283 -5.623 -5.857 -5.980 -5.987 -5.875 -5.646 -5.301 -4.846 -4.286 -3.629 -2.881 -2.044 -1.123 -0.115 91.821 79.732 68.887 59.427 51.186 43.962 37.576 31.875 26.734 22.055 17.766 13.821 10.191 6.865 3.840 -1.265 -2.122 -2.919 -3.651 -4.315 -4.906 -5.419 -5.847 -6.185 -6.429 -6.572 -6.613 -6.549 -6.379 -6.107 -5.734 -5.265 -4.703 -4.052 -3.314 -2.491 92.110 80.417 69.734 60.360 52.180 45.013 38.691 33.067 28.021 23.451 19.283 15.459 11.940 8.700 5.719 0.469 -0.474 -1.384 -2.260 -3.104 -3.915 -4.694 -5.441 -6.155 -6.837 -7.486 -8.101 -8.682 -9.227 -9.737 -10.210 -10.645 -11.042 -11.400 -11.718 -11.996 91.991 80.760 70.273 61.007 52.901 45.797 39.537 33.983 29.016 24.539 20.472 16.756 13.343 10.201 7.304 2.157 1.220 0.311 -0.571 -1.428 -2.259 -3.067 -3.852 -4.616 -5.358 -6.080 -6.782 -7.466 -8.130 -8.777 -9.405 -10.017 -10.611 -11.189 -11.750 -12.295 91.551 80.830 70.566 61.426 53.405 46.369 40.173 34.684 29.789 25.391 21.413 17.791 14.474 11.427 8.619 3.623 2.711 1.825 0.964 0.127 -0.688 -1.482 -2.255 -3.010 -3.747 -4.466 -5.170 -5.859 -6.533 -7.194 -7.843 -8.479 -9.105 -9.720 -10.325 -10.921 90.851 80.677 70.659 61.659 53.733 46.771 40.640 35.214 30.384 26.058 22.158 18.619 15.390 12.429 9.706 4.868 3.985 3.128 2.295 1.484 0.695 -0.074 -0.823 -1.555 -2.270 -2.968 -3.652 -4.322 -4.979 -5.624 -6.257 -6.881 -7.494 -8.100 -8.697 -9.287 89.937 80.342 70.585 61.738 53.914 47.031 40.967 35.604 30.837 26.576 22.745 19.281 16.129 13.249 10.605 5.919 5.066 4.237 3.432 2.649 1.888 1.146 0.423 -0.282 -0.971 -1.644 -2.302 -2.947 -3.579 -4.199 -4.809 -5.409 -5.999 -6.581 -7.156 -7.724 88.847 79.854 70.372 61.686 53.972 47.173 41.178 35.878 31.171 26.971 23.203 19.806 16.725 13.917 11.346 6.804 5.978 5.177 4.399 3.644 2.909 2.194 1.497 0.818 0.156 -0.492 -1.124 -1.743 -2.350 -2.945 -3.529 -4.103 -4.668 -5.224 -5.773 -6.315 87.607 79.237 70.041 61.523 53.925 47.213 41.290 36.052 31.405 27.262 23.554 20.218 17.201 14.459 11.956 7.546 6.747 5.972 5.219 4.489 3.780 3.089 2.418 1.764 1.126 0.503 -0.105 -0.699 -1.281 -1.852 -2.411 -2.961 -3.501 -4.033 -4.557 -5.074 99999.999 78.510 69.607 61.263 53.786 47.165 41.316 36.142 31.553 27.467 23.814 20.534 17.576 14.894 12.453 8.166 7.391 6.640 5.912 5.206 4.520 3.853 3.205 2.574 1.959 1.359 0.774 0.202 -0.357 -0.905 -1.441 -1.968 -2.486 -2.995 -3.496 -3.990 ulvospinel Fe2TiO4 P-T:All Wt.(g/mol) = 223.568 V(cc/mol) = 46.820 D(g/cc) = 4.775 Ref: H&P2011 3 -4.000 1 1.000 34 2.000 11 20.568 17.231 14.405 11.989 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.568 17.231 14.405 11.989 9.900 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.570 17.232 14.406 11.990 9.901 8.071 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.572 17.235 14.408 11.992 9.903 8.073 6.451 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.576 17.238 14.412 11.996 9.906 8.076 6.454 4.998 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.583 17.244 14.417 12.001 9.911 8.081 6.459 5.003 3.682 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.594 17.253 14.425 12.008 9.918 8.088 6.466 5.011 3.690 2.473 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.608 17.266 14.437 12.019 9.929 8.099 6.477 5.023 3.702 2.486 1.346 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.629 17.284 14.453 12.035 9.944 8.114 6.492 5.038 3.719 2.505 1.367 0.279 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.655 17.307 14.474 12.055 9.963 8.133 6.512 5.059 3.741 2.529 1.396 0.314 -0.735 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.690 17.337 14.502 12.081 9.989 8.158 6.538 5.086 3.769 2.561 1.432 0.358 -0.682 -1.677 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.735 17.376 14.538 12.115 10.021 8.191 6.571 5.120 3.806 2.601 1.478 0.414 -0.613 -1.611 -2.473 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.769 17.406 14.565 12.141 10.047 8.216 6.596 5.146 3.834 2.631 1.513 0.456 -0.560 -1.552 -2.531 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.817 17.448 14.604 12.178 10.082 8.251 6.632 5.183 3.873 2.674 1.562 0.515 -0.486 -1.461 -2.476 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.865 17.490 14.642 12.214 10.117 8.286 6.667 5.220 3.912 2.716 1.610 0.572 -0.414 -1.370 -2.372 1.208 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.912 17.531 14.680 12.250 10.152 8.320 6.702 5.256 3.949 2.757 1.656 0.628 -0.345 -1.281 -2.252 -1.550 -0.479 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.958 17.572 14.718 12.285 10.187 8.354 6.736 5.291 3.987 2.797 1.701 0.681 -0.279 -1.195 -2.131 -2.196 -1.892 -1.262 -0.324 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.003 17.612 14.755 12.321 10.221 8.388 6.770 5.326 4.023 2.836 1.745 0.732 -0.216 -1.115 -2.015 -2.465 -2.405 -2.192 -1.787 -1.209 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.048 17.652 14.792 12.355 10.254 8.421 6.804 5.360 4.059 2.875 1.787 0.781 -0.157 -1.039 -1.906 -2.599 -2.649 -2.613 -2.467 -2.197 -1.821 -1.405 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.092 17.691 14.828 12.390 10.288 8.454 6.837 5.394 4.095 2.913 1.829 0.828 -0.100 -0.968 -1.806 -2.669 -2.779 -2.833 -2.819 -2.723 -2.543 -2.291 -2.007 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.135 17.729 14.864 12.424 10.321 8.487 6.869 5.428 4.130 2.950 1.869 0.874 -0.047 -0.902 -1.716 -2.703 -2.850 -2.957 -3.017 -3.022 -2.965 -2.847 -2.679 -2.482 -2.287 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.178 17.768 14.899 12.458 10.353 8.519 6.902 5.461 4.164 2.986 1.909 0.918 0.004 -0.842 -1.635 -2.715 -2.886 -3.027 -3.134 -3.200 -3.221 -3.194 -3.122 -3.011 -2.877 -2.736 -2.604 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.220 17.806 14.935 12.491 10.385 8.550 6.933 5.493 4.198 3.022 1.947 0.960 0.051 -0.786 -1.563 -2.713 -2.901 -3.065 -3.202 -3.308 -3.381 -3.416 -3.413 -3.374 -3.305 -3.216 -3.115 -3.014 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.261 17.843 14.969 12.524 10.417 8.582 6.965 5.525 4.231 3.057 1.985 1.001 0.097 -0.734 -1.500 -2.702 -2.902 -3.082 -3.240 -3.374 -3.481 -3.559 -3.606 -3.622 -3.609 -3.571 -3.513 -3.444 -3.367 -3.289 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.302 17.880 15.004 12.557 10.449 8.613 6.996 5.557 4.264 3.092 2.022 1.041 0.140 -0.687 -1.445 -2.684 -2.892 -3.084 -3.258 -3.412 -3.543 -3.651 -3.734 -3.791 -3.822 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-1.164 -1.140 -1.116 vesuvianite Ca19Mg2Al11Si18O78H9 P-T:All Wt.(g/mol) = 2869.490 V(cc/mol) = 852.000 D(g/cc) = 3.368 Ref: H&P2011 6 19.000 9 2.000 10 11.000 8 18.000 7 6.000 2 -75.000 1 363.251 320.465 283.220 250.981 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 363.251 320.465 283.220 250.981 222.877 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 363.266 320.481 283.236 250.997 222.893 198.125 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 363.295 320.511 283.266 251.026 222.923 198.156 176.047 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 363.343 320.561 283.317 251.077 222.974 198.208 176.102 156.105 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 363.419 320.641 283.397 251.157 223.055 198.291 176.189 156.198 137.866 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 363.532 320.760 283.516 251.277 223.176 198.415 176.319 156.337 138.018 120.930 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 363.693 320.929 283.686 251.447 223.348 198.592 176.504 156.535 138.234 121.174 104.900 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 363.910 321.159 283.918 251.679 223.583 198.833 176.757 156.806 138.530 121.508 105.294 89.446 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 364.195 321.461 284.223 251.985 223.892 199.151 177.091 157.163 138.920 121.947 105.812 90.088 74.521 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 364.556 321.848 284.614 252.378 224.290 199.560 177.520 157.621 139.420 122.509 106.477 90.911 75.519 60.655 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 365.003 322.330 285.104 252.872 224.791 200.075 178.059 158.198 140.049 123.216 107.310 91.946 76.811 61.840 49.526 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 365.335 322.693 285.474 253.245 225.169 200.465 178.468 158.635 140.524 123.750 107.937 92.725 77.802 62.946 48.089 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 365.791 323.195 285.989 253.765 225.698 201.010 179.039 159.245 141.189 124.494 108.810 93.806 79.189 64.641 48.969 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 366.221 323.676 286.484 254.268 226.210 201.537 179.593 159.836 141.832 125.212 109.648 94.841 80.521 66.357 50.912 137.470 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 366.626 324.136 286.961 254.752 226.704 202.047 180.128 160.408 142.453 125.905 110.454 95.829 81.792 68.030 53.172 77.723 102.686 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 367.008 324.577 287.419 255.220 227.182 202.542 180.647 160.962 143.056 126.575 111.229 96.772 82.996 69.627 55.471 63.726 72.091 87.518 109.961 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 367.367 324.998 287.861 255.672 227.645 203.020 181.149 161.499 143.639 127.223 111.974 97.670 84.131 71.130 57.684 57.794 60.924 67.292 77.842 92.308 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 367.704 325.400 288.285 256.108 228.092 203.483 181.636 162.019 144.203 127.849 112.690 98.524 85.197 72.528 59.745 54.732 55.509 58.082 62.986 70.583 80.582 91.634 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 368.019 325.784 288.693 256.528 228.524 203.931 182.108 162.523 144.751 128.454 113.378 99.336 86.196 73.818 61.624 53.039 52.530 53.161 55.229 59.017 64.647 71.866 79.931 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 368.313 326.150 289.085 256.934 228.942 204.366 182.565 163.012 145.281 129.040 114.040 100.108 87.130 75.000 63.309 52.107 50.811 50.305 50.769 52.388 55.306 59.544 64.905 70.943 77.062 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 368.587 326.500 289.462 257.326 229.347 204.786 183.008 163.486 145.796 129.606 114.676 100.841 88.001 76.077 64.796 51.640 49.823 48.592 48.061 48.352 49.577 51.807 55.022 59.075 63.687 68.507 73.204 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 368.841 326.833 289.824 257.703 229.738 205.194 183.438 163.946 146.294 130.155 115.289 101.539 88.813 77.054 66.095 51.474 49.295 47.573 46.382 45.805 45.925 46.810 48.489 50.932 54.032 57.610 61.453 65.358 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 369.076 327.149 290.171 258.067 230.116 205.588 183.855 164.392 146.778 130.686 115.879 102.203 89.572 77.940 67.218 51.512 49.072 47.002 45.351 44.180 43.546 43.505 44.098 45.334 47.183 49.569 52.377 55.474 58.737 62.077 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 369.293 327.451 290.505 258.419 230.481 205.970 184.259 164.825 147.248 131.201 116.448 102.837 90.281 78.744 68.183 51.694 49.060 46.734 44.752 43.156 41.988 41.292 41.105 41.449 42.326 43.711 45.551 47.772 50.291 53.033 55.943 99999.999 99999.999 99999.999 99999.999 99999.999 369.491 327.737 290.825 258.757 230.835 206.341 184.650 165.245 147.704 131.700 116.997 103.442 90.948 79.477 69.015 51.977 49.196 46.679 44.451 42.542 40.984 39.811 39.052 38.733 38.867 39.453 40.472 41.887 43.651 45.714 48.029 50.563 53.302 99999.999 99999.999 99999.999 369.672 328.008 291.132 259.083 231.176 206.699 185.030 165.653 148.146 132.184 117.528 104.023 91.578 80.152 69.740 52.335 49.441 46.777 44.362 42.218 40.368 38.838 37.652 36.834 36.399 36.357 36.705 37.430 38.509 39.911 41.606 43.567 45.774 48.218 99999.999 99999.999 369.836 328.265 291.426 259.397 231.506 207.046 185.399 166.048 148.576 132.654 118.043 104.582 92.178 80.784 70.388 52.746 49.764 46.987 44.428 42.103 40.030 38.228 36.718 35.518 34.644 34.109 33.918 34.071 34.559 35.367 36.476 37.870 39.531 41.449 43.621 46.048 369.983 328.508 291.707 259.700 231.825 207.382 185.756 166.432 148.993 133.110 118.542 105.124 92.756 81.386 70.993 53.197 50.146 47.279 44.608 42.142 39.896 37.885 36.123 34.627 33.411 32.487 31.866 31.550 31.542 31.835 32.421 33.289 34.430 35.833 37.494 39.411 370.631 330.250 293.904 262.151 234.466 210.204 188.782 169.706 152.567 137.035 122.851 109.825 97.822 86.747 76.527 58.416 55.139 51.970 48.908 45.949 43.094 40.339 37.686 35.135 32.684 30.337 28.093 25.954 23.924 22.004 20.196 18.503 16.928 15.471 14.136 12.924 370.012 330.932 295.153 263.723 236.268 212.206 190.986 172.133 155.252 140.014 126.156 113.473 101.812 91.057 81.118 63.383 60.142 56.993 53.932 50.955 48.059 45.241 42.497 39.824 37.220 34.682 32.207 29.795 27.443 25.149 22.913 20.732 18.606 16.533 14.513 12.544 368.390 330.771 295.647 264.597 237.408 213.563 192.547 173.905 157.254 142.273 128.698 116.316 104.964 94.513 84.862 67.632 64.477 61.409 58.423 55.516 52.684 49.922 47.227 44.595 42.023 39.507 37.045 34.634 32.270 29.950 27.674 25.437 23.237 21.073 18.942 16.842 365.959 329.926 295.527 264.903 238.009 214.400 193.593 175.156 158.718 143.966 130.641 118.527 107.452 97.281 87.904 71.187 68.128 65.154 62.260 59.442 56.697 54.019 51.406 48.854 46.358 43.917 41.526 39.182 36.882 34.623 32.403 30.218 28.066 25.945 23.851 21.783 362.868 328.518 294.899 264.737 238.165 214.806 194.216 175.982 159.745 145.204 132.103 120.229 109.404 99.488 90.366 74.140 71.176 68.295 65.493 62.766 60.110 57.522 54.996 52.531 50.122 47.765 45.459 43.198 40.981 38.804 36.664 34.560 32.487 30.443 28.427 26.435 359.227 326.641 293.843 264.174 237.944 214.851 194.484 176.453 160.413 146.069 133.173 121.515 110.917 101.234 92.346 76.580 73.705 70.913 68.199 65.560 62.990 60.487 58.048 55.667 53.342 51.070 48.847 46.671 44.537 42.444 40.388 38.367 36.378 34.418 32.485 30.578 355.123 324.370 292.426 263.272 237.404 214.588 194.452 176.625 160.777 146.622 133.918 122.457 112.065 102.594 93.921 78.583 75.792 73.083 70.452 67.894 65.406 62.984 60.624 58.324 56.079 53.886 51.743 49.645 47.591 45.577 43.600 41.658 39.749 37.869 36.017 34.190 99999.999 321.763 290.698 262.077 236.587 214.060 194.161 176.541 160.884 146.912 134.388 123.110 112.906 103.630 95.155 80.213 77.500 74.868 72.314 69.832 67.420 65.073 62.789 60.562 58.391 56.272 54.202 52.178 50.197 48.256 46.352 44.483 42.646 40.840 39.061 37.307 wadeite-Si K2Si4O9 P-T:All Wt.(g/mol) = 334.528 V(cc/mol) = 108.440 D(g/cc) = 3.085 Ref: H&P2011 4 2.000 12 4.000 7 -7.000 2 -2.000 1 23.742 22.828 21.863 20.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.742 22.828 21.863 20.978 20.197 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.742 22.828 21.863 20.978 20.198 19.517 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.742 22.829 21.864 20.979 20.199 19.519 18.925 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.741 22.829 21.865 20.981 20.201 19.520 18.927 18.407 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.740 22.830 21.867 20.983 20.203 19.523 18.931 18.411 17.950 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.738 22.831 21.869 20.986 20.207 19.528 18.935 18.416 17.956 17.541 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.736 22.833 21.872 20.990 20.212 19.534 18.942 18.423 17.964 17.550 17.168 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.731 22.834 21.877 20.996 20.219 19.542 18.951 18.434 17.975 17.563 17.183 16.818 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.725 22.835 21.882 21.003 20.228 19.552 18.963 18.446 17.990 17.580 17.203 16.842 16.477 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.714 22.836 21.887 21.012 20.239 19.564 18.977 18.463 18.008 17.601 17.227 16.872 16.517 16.124 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.699 22.835 21.892 21.021 20.251 19.579 18.994 18.482 18.031 17.626 17.257 16.909 16.565 16.195 15.703 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.685 22.832 21.895 21.027 20.259 19.589 19.006 18.496 18.047 17.645 17.279 16.936 16.599 16.244 15.804 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.663 22.826 21.897 21.034 20.270 19.603 19.022 18.515 18.069 17.671 17.309 16.972 16.646 16.309 15.915 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.637 22.818 21.897 21.039 20.278 19.614 19.036 18.532 18.089 17.694 17.337 17.006 16.688 16.366 16.004 14.634 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.609 22.807 21.894 21.041 20.284 19.624 19.049 18.547 18.107 17.716 17.363 17.038 16.728 16.419 16.082 15.243 14.851 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.578 22.794 21.890 21.042 20.289 19.631 19.059 18.561 18.123 17.736 17.387 17.067 16.765 16.467 16.150 15.451 15.219 14.910 14.485 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.543 22.778 21.883 21.041 20.292 19.637 19.069 18.573 18.138 17.754 17.409 17.094 16.799 16.511 16.212 15.584 15.407 15.194 14.931 14.601 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.507 22.760 21.874 21.038 20.293 19.642 19.076 18.583 18.152 17.771 17.430 17.120 16.830 16.551 16.267 15.687 15.537 15.367 15.171 14.939 14.663 14.341 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.467 22.740 21.863 21.033 20.292 19.645 19.082 18.592 18.164 17.786 17.449 17.143 16.860 16.589 16.317 15.771 15.639 15.494 15.333 15.150 14.941 14.701 14.431 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.426 22.718 21.851 21.026 20.290 19.646 19.087 18.600 18.175 17.800 17.466 17.165 16.887 16.623 16.363 15.844 15.724 15.596 15.456 15.302 15.132 14.941 14.729 14.495 14.243 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.381 22.693 21.836 21.018 20.286 19.646 19.090 18.606 18.184 17.812 17.482 17.185 16.912 16.655 16.404 15.908 15.798 15.681 15.556 15.422 15.276 15.117 14.942 14.750 14.544 14.325 14.096 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.335 22.667 21.820 21.008 20.281 19.645 19.092 18.611 18.192 17.823 17.497 17.203 16.935 16.684 16.442 15.966 15.863 15.755 15.642 15.522 15.393 15.254 15.105 14.943 14.770 14.585 14.391 14.190 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.286 22.639 21.802 20.997 20.274 19.642 19.092 18.614 18.198 17.833 17.510 17.220 16.956 16.711 16.476 16.018 15.921 15.821 15.716 15.607 15.491 15.368 15.236 15.096 14.947 14.788 14.621 14.448 14.270 14.090 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 23.235 22.609 21.782 20.984 20.266 19.637 19.091 18.617 18.204 17.841 17.521 17.235 16.976 16.736 16.508 16.066 15.974 15.880 15.783 15.682 15.576 15.464 15.347 15.222 15.091 14.952 14.807 14.655 14.499 14.340 14.179 99999.999 99999.999 99999.999 99999.999 99999.999 23.181 22.577 21.761 20.969 20.256 19.632 19.089 18.618 18.208 17.849 17.532 17.249 16.994 16.758 16.537 16.110 16.023 15.934 15.842 15.748 15.650 15.548 15.442 15.330 15.212 15.089 14.960 14.826 14.688 14.546 14.403 14.259 14.116 99999.999 99999.999 99999.999 23.126 22.543 21.738 20.953 20.245 19.625 19.085 18.617 18.210 17.855 17.541 17.262 17.010 16.779 16.563 16.151 16.067 15.983 15.897 15.808 15.717 15.623 15.525 15.423 15.316 15.205 15.090 14.970 14.846 14.720 14.591 14.461 14.332 14.203 99999.999 99999.999 23.068 22.507 21.713 20.935 20.233 19.617 19.081 18.616 18.212 17.859 17.549 17.273 17.025 16.799 16.588 16.188 16.109 16.028 15.947 15.863 15.778 15.690 15.599 15.505 15.408 15.307 15.202 15.094 14.982 14.868 14.752 14.634 14.517 14.399 14.283 14.170 23.009 22.470 21.687 20.917 20.219 19.607 19.075 18.614 18.213 17.863 17.556 17.284 17.039 16.817 16.610 16.223 16.147 16.070 15.992 15.913 15.833 15.751 15.666 15.579 15.489 15.396 15.300 15.202 15.101 14.997 14.891 14.785 14.677 14.570 14.463 14.358 22.313 22.012 21.351 20.659 20.019 19.452 18.959 18.532 18.163 17.845 17.568 17.327 17.116 16.928 16.760 16.466 16.412 16.359 16.307 16.256 16.206 16.155 16.105 16.056 16.006 15.956 15.906 15.856 15.806 15.756 15.705 15.655 15.604 15.553 15.502 15.451 21.464 21.423 20.898 20.294 19.718 19.203 18.752 18.363 18.029 17.742 17.496 17.284 17.102 16.945 16.807 16.580 16.540 16.502 16.466 16.430 16.396 16.363 16.331 16.299 16.269 16.239 16.209 16.180 16.151 16.123 16.095 16.068 16.041 16.014 15.988 15.961 20.492 20.729 20.351 19.842 19.337 18.877 18.473 18.124 17.826 17.571 17.356 17.174 17.020 16.890 16.780 16.609 16.581 16.554 16.529 16.506 16.484 16.463 16.443 16.424 16.407 16.390 16.374 16.358 16.343 16.329 16.316 16.303 16.290 16.278 16.266 16.255 19.419 19.948 19.725 19.319 18.889 18.489 18.134 17.828 17.566 17.346 17.162 17.009 16.883 16.779 16.695 16.574 16.556 16.540 16.525 16.512 16.500 16.489 16.479 16.471 16.463 16.457 16.451 16.446 16.442 16.439 16.436 16.433 16.432 16.430 16.430 16.429 18.262 19.093 19.034 18.735 18.385 18.048 17.745 17.483 17.260 17.075 16.922 16.798 16.700 16.622 16.563 16.490 16.481 16.474 16.468 16.464 16.461 16.459 16.459 16.459 16.461 16.463 16.466 16.470 16.475 16.480 16.486 16.493 16.500 16.508 16.516 16.524 17.034 18.177 18.287 18.100 17.833 17.561 17.313 17.096 16.914 16.764 16.644 16.549 16.478 16.427 16.392 16.365 16.365 16.366 16.369 16.373 16.379 16.385 16.393 16.402 16.411 16.422 16.433 16.445 16.458 16.471 16.485 16.499 16.514 16.529 16.545 16.561 15.744 17.206 17.491 17.420 17.239 17.035 16.842 16.673 16.532 16.419 16.332 16.267 16.224 16.198 16.188 16.205 16.214 16.224 16.235 16.247 16.261 16.275 16.290 16.307 16.324 16.342 16.361 16.380 16.400 16.420 16.441 16.463 16.484 16.506 16.529 16.552 99999.999 16.188 16.652 16.701 16.609 16.475 16.339 16.219 16.120 16.044 15.990 15.957 15.941 15.941 15.955 16.017 16.033 16.051 16.070 16.091 16.112 16.134 16.157 16.181 16.205 16.230 16.256 16.282 16.309 16.336 16.364 16.391 16.420 16.448 16.477 16.506 wadsleyite-Fe Fe2SiO4 P-T:All Wt.(g/mol) = 203.771 V(cc/mol) = 43.210 D(g/cc) = 4.716 Ref: H&P2011 3 2.000 11 1.000 7 -4.000 1 24.652 21.887 19.495 17.435 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.652 21.887 19.495 17.435 15.648 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.652 21.887 19.496 17.436 15.649 14.083 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.654 21.889 19.498 17.438 15.651 14.084 12.695 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.656 21.892 19.500 17.440 15.653 14.087 12.698 11.451 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.660 21.896 19.505 17.445 15.658 14.092 12.703 11.456 10.323 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.666 21.902 19.511 17.451 15.664 14.098 12.710 11.464 10.331 9.285 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.674 21.911 19.520 17.460 15.673 14.107 12.720 11.474 10.342 9.298 8.313 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.685 21.923 19.532 17.472 15.686 14.120 12.733 11.488 10.358 9.315 8.334 7.386 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.699 21.938 19.548 17.488 15.702 14.137 12.751 11.507 10.379 9.339 8.361 7.420 6.498 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.718 21.958 19.568 17.509 15.723 14.159 12.773 11.532 10.405 9.368 8.396 7.464 6.552 5.667 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.740 21.983 19.594 17.535 15.749 14.186 12.802 11.562 10.438 9.406 8.440 7.518 6.621 5.735 4.958 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.756 22.002 19.613 17.554 15.769 14.206 12.823 11.585 10.463 9.434 8.473 7.559 6.673 5.796 4.909 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.779 22.027 19.640 17.582 15.797 14.235 12.853 11.617 10.498 9.473 8.519 7.616 6.746 5.887 4.972 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.800 22.052 19.665 17.608 15.824 14.263 12.882 11.648 10.532 9.511 8.563 7.671 6.816 5.978 5.080 8.674 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.819 22.075 19.690 17.633 15.850 14.289 12.911 11.678 10.565 9.547 8.605 7.722 6.883 6.066 5.201 6.032 7.081 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.837 22.097 19.714 17.657 15.874 14.315 12.938 11.707 10.596 9.582 8.646 7.772 6.946 6.150 5.322 5.415 5.730 6.355 7.267 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.854 22.118 19.736 17.681 15.898 14.340 12.964 11.735 10.627 9.616 8.685 7.819 7.005 6.229 5.438 5.160 5.242 5.468 5.877 6.446 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.870 22.138 19.758 17.703 15.922 14.364 12.989 11.763 10.657 9.649 8.723 7.863 7.061 6.302 5.545 5.034 5.011 5.069 5.230 5.509 5.885 6.294 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.884 22.157 19.778 17.725 15.944 14.388 13.014 11.789 10.685 9.681 8.759 7.906 7.113 6.369 5.643 4.968 4.888 4.860 4.897 5.010 5.202 5.459 5.745 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.897 22.175 19.798 17.745 15.966 14.410 13.038 11.814 10.713 9.711 8.793 7.946 7.162 6.431 5.731 4.936 4.822 4.744 4.710 4.727 4.802 4.934 5.112 5.315 5.513 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.909 22.192 19.817 17.765 15.986 14.432 13.061 11.839 10.740 9.741 8.826 7.985 7.207 6.487 5.809 4.925 4.788 4.678 4.600 4.559 4.561 4.607 4.695 4.818 4.962 5.110 5.247 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.920 22.208 19.835 17.784 16.006 14.453 13.083 11.863 10.766 9.769 8.858 8.021 7.250 6.539 5.877 4.927 4.773 4.642 4.535 4.457 4.410 4.398 4.421 4.476 4.560 4.662 4.772 4.882 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.930 22.223 19.852 17.803 16.026 14.473 13.105 11.886 10.791 9.797 8.889 8.056 7.290 6.585 5.936 4.937 4.773 4.626 4.499 4.395 4.316 4.263 4.239 4.244 4.275 4.329 4.400 4.482 4.570 4.659 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.939 22.238 19.869 17.820 16.044 14.493 13.125 11.909 10.815 9.824 8.919 8.089 7.327 6.628 5.987 4.953 4.781 4.623 4.482 4.360 4.257 4.176 4.119 4.085 4.075 4.088 4.120 4.168 4.228 4.297 4.373 99999.999 99999.999 99999.999 99999.999 99999.999 24.946 22.251 19.884 17.837 16.062 14.512 13.146 11.930 10.839 9.850 8.948 8.121 7.362 6.667 6.032 4.974 4.795 4.630 4.478 4.342 4.222 4.121 4.039 3.977 3.935 3.914 3.912 3.928 3.958 4.002 4.056 4.119 4.192 99999.999 99999.999 99999.999 24.953 22.264 19.899 17.854 16.079 14.530 13.165 11.951 10.862 9.875 8.975 8.151 7.395 6.703 6.071 4.998 4.814 4.642 4.483 4.337 4.205 4.088 3.988 3.904 3.838 3.790 3.760 3.747 3.750 3.767 3.797 3.839 3.891 3.955 99999.999 99999.999 24.959 22.275 19.913 17.869 16.096 14.548 13.184 11.972 10.884 9.899 9.002 8.180 7.427 6.736 6.106 5.023 4.836 4.660 4.494 4.340 4.199 4.071 3.956 3.856 3.772 3.703 3.650 3.613 3.591 3.584 3.590 3.609 3.641 3.684 3.739 3.806 24.964 22.286 19.927 17.884 16.112 14.565 13.202 11.991 10.905 9.923 9.028 8.209 7.457 6.768 6.138 5.050 4.861 4.681 4.510 4.351 4.202 4.065 3.940 3.827 3.728 3.643 3.572 3.515 3.472 3.443 3.428 3.425 3.436 3.458 3.493 3.540 24.964 22.356 20.027 18.001 16.241 14.705 13.354 12.157 11.088 10.124 9.250 8.452 7.721 7.050 6.433 5.342 5.145 4.954 4.769 4.590 4.417 4.250 4.089 3.933 3.783 3.638 3.499 3.366 3.238 3.116 3.000 2.890 2.785 2.687 2.595 2.510 24.891 22.366 20.073 18.068 16.323 14.799 13.461 12.276 11.221 10.274 9.417 8.638 7.926 7.272 6.671 5.606 5.412 5.224 5.041 4.863 4.691 4.523 4.360 4.201 4.046 3.895 3.748 3.605 3.465 3.329 3.196 3.067 2.941 2.817 2.697 2.580 24.761 22.327 20.076 18.095 16.367 14.857 13.531 12.359 11.317 10.384 9.543 8.780 8.084 7.448 6.863 5.827 5.638 5.455 5.277 5.104 4.936 4.772 4.612 4.457 4.305 4.157 4.012 3.871 3.733 3.597 3.464 3.334 3.206 3.081 2.958 2.837 24.585 22.249 20.044 18.090 16.381 14.886 13.572 12.413 11.383 10.463 9.635 8.887 8.207 7.586 7.016 6.008 5.825 5.647 5.475 5.307 5.144 4.985 4.830 4.680 4.533 4.389 4.249 4.112 3.978 3.847 3.718 3.592 3.467 3.345 3.225 3.107 24.370 22.139 19.983 18.059 16.370 14.890 13.590 12.443 11.425 10.517 9.702 8.967 8.300 7.693 7.137 6.157 5.979 5.806 5.639 5.476 5.318 5.164 5.015 4.869 4.727 4.589 4.453 4.321 4.192 4.065 3.941 3.820 3.700 3.583 3.467 3.353 24.124 22.002 19.898 18.004 16.337 14.874 13.588 12.453 11.447 10.550 9.747 9.024 8.370 7.775 7.232 6.277 6.104 5.936 5.774 5.616 5.463 5.314 5.169 5.028 4.891 4.757 4.626 4.499 4.374 4.252 4.133 4.016 3.901 3.789 3.678 3.569 23.851 21.843 19.792 17.931 16.286 14.841 13.569 12.446 11.451 10.566 9.774 9.062 8.420 7.837 7.306 6.374 6.205 6.042 5.884 5.731 5.582 5.438 5.297 5.161 5.028 4.898 4.772 4.649 4.529 4.411 4.296 4.184 4.074 3.965 3.859 3.754 99999.999 21.664 19.668 17.841 16.220 14.792 13.535 12.425 11.442 10.567 9.786 9.084 8.452 7.880 7.360 6.450 6.286 6.127 5.973 5.824 5.680 5.539 5.403 5.271 5.142 5.016 4.894 4.775 4.659 4.545 4.434 4.326 4.220 4.115 4.013 3.912 wadsleyite-Mg Mg2SiO4 P-T:All Wt.(g/mol) = 140.691 V(cc/mol) = 40.510 D(g/cc) = 3.473 Ref: H&P2011 3 2.000 10 1.000 7 -4.000 1 38.715 34.711 31.285 28.352 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.715 34.711 31.285 28.352 25.821 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.716 34.712 31.286 28.353 25.822 23.617 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.717 34.713 31.287 28.354 25.824 23.618 21.675 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.719 34.716 31.289 28.356 25.826 23.621 21.678 19.947 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.723 34.719 31.293 28.360 25.830 23.625 21.682 19.952 18.392 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.728 34.725 31.299 28.366 25.836 23.631 21.689 19.959 18.400 16.977 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.735 34.733 31.307 28.374 25.844 23.639 21.698 19.968 18.411 16.990 15.669 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.745 34.743 31.317 28.385 25.855 23.651 21.710 19.982 18.426 17.007 15.689 14.441 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.758 34.757 31.332 28.399 25.870 23.667 21.727 20.000 18.446 17.029 15.716 14.475 13.283 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.774 34.775 31.350 28.418 25.889 23.686 21.748 20.023 18.471 17.058 15.751 14.518 13.336 12.217 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.793 34.797 31.372 28.441 25.913 23.711 21.774 20.051 18.503 17.094 15.794 14.573 13.405 12.281 11.322 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.808 34.813 31.389 28.458 25.931 23.730 21.794 20.073 18.527 17.122 15.827 14.614 13.458 12.341 11.250 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.827 34.835 31.413 28.482 25.956 23.756 21.822 20.103 18.560 17.159 15.872 14.670 13.532 12.433 11.302 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.846 34.857 31.435 28.506 25.979 23.781 21.848 20.132 18.592 17.196 15.915 14.724 13.603 12.525 11.408 15.428 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.862 34.877 31.457 28.528 26.002 23.805 21.874 20.160 18.623 17.231 15.956 14.776 13.670 12.615 11.531 12.315 13.525 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.878 34.896 31.477 28.549 26.025 23.828 21.899 20.187 18.653 17.265 15.996 14.825 13.733 12.700 11.655 11.584 11.930 12.646 13.720 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.892 34.914 31.496 28.569 26.046 23.851 21.923 20.213 18.682 17.298 16.034 14.872 13.793 12.780 11.774 11.276 11.348 11.593 12.057 12.723 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.905 34.931 31.515 28.589 26.066 23.872 21.946 20.239 18.710 17.329 16.071 14.916 13.849 12.854 11.885 11.118 11.067 11.114 11.285 11.598 12.035 12.524 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.917 34.947 31.533 28.608 26.086 23.893 21.969 20.263 18.737 17.359 16.106 14.958 13.902 12.923 11.985 11.031 10.913 10.859 10.882 10.998 11.211 11.508 11.847 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.927 34.962 31.549 28.625 26.105 23.913 21.990 20.286 18.763 17.389 16.140 14.998 13.951 12.985 12.075 10.983 10.825 10.711 10.651 10.654 10.728 10.871 11.075 11.313 11.555 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.937 34.976 31.565 28.642 26.123 23.933 22.011 20.309 18.788 17.417 16.172 15.036 13.996 13.042 12.155 10.960 10.775 10.624 10.512 10.446 10.432 10.472 10.565 10.703 10.871 11.050 11.222 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.945 34.989 31.580 28.659 26.140 23.951 22.031 20.331 18.812 17.444 16.203 15.072 14.038 13.094 12.224 10.953 10.749 10.572 10.426 10.315 10.243 10.214 10.228 10.284 10.376 10.494 10.625 10.761 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.953 35.001 31.595 28.674 26.157 23.969 22.050 20.352 18.836 17.470 16.233 15.106 14.078 13.140 12.284 10.956 10.739 10.544 10.374 10.232 10.121 10.044 10.003 9.996 10.024 10.082 10.162 10.259 10.365 10.476 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 38.959 35.012 31.608 28.689 26.173 23.986 22.069 20.373 18.859 17.496 16.261 15.138 14.114 13.182 12.335 10.967 10.739 10.531 10.344 10.181 10.042 9.931 9.849 9.797 9.775 9.781 9.813 9.866 9.936 10.018 10.110 99999.999 99999.999 99999.999 99999.999 99999.999 38.964 35.023 31.621 28.703 26.188 24.003 22.087 20.393 18.881 17.520 16.289 15.169 14.149 13.221 12.379 10.982 10.747 10.530 10.330 10.150 9.992 9.856 9.744 9.658 9.598 9.563 9.553 9.565 9.597 9.646 9.709 9.785 9.873 99999.999 99999.999 99999.999 38.969 35.032 31.633 28.717 26.203 24.019 22.104 20.412 18.902 17.544 16.315 15.198 14.181 13.256 12.417 11.002 10.761 10.536 10.327 10.135 9.961 9.807 9.674 9.562 9.472 9.405 9.361 9.338 9.335 9.350 9.383 9.430 9.492 9.568 99999.999 99999.999 38.972 35.041 31.644 28.730 26.217 24.034 22.121 20.430 18.922 17.567 16.341 15.226 14.212 13.288 12.451 11.024 10.779 10.548 10.331 10.130 9.945 9.777 9.627 9.495 9.383 9.291 9.219 9.166 9.133 9.119 9.122 9.141 9.175 9.225 9.289 9.368 38.974 35.050 31.655 28.742 26.230 24.049 22.137 20.448 18.942 17.589 16.365 15.254 14.241 13.319 12.482 11.048 10.800 10.564 10.342 10.134 9.940 9.761 9.598 9.451 9.321 9.209 9.115 9.038 8.980 8.939 8.915 8.908 8.916 8.940 8.978 9.032 38.953 35.093 31.728 28.833 26.335 24.166 22.268 20.595 19.108 17.776 16.575 15.487 14.496 13.593 12.768 11.324 11.065 10.815 10.573 10.341 10.116 9.900 9.692 9.492 9.299 9.115 8.937 8.768 8.606 8.452 8.306 8.168 8.037 7.915 7.800 7.694 38.861 35.078 31.749 28.875 26.394 24.239 22.355 20.696 19.225 17.911 16.730 15.662 14.692 13.808 13.000 11.581 11.324 11.076 10.836 10.604 10.379 10.160 9.948 9.743 9.543 9.350 9.162 8.979 8.802 8.630 8.462 8.299 8.141 7.988 7.839 7.694 38.713 35.017 31.728 28.880 26.416 24.276 22.406 20.761 19.305 18.007 16.843 15.794 14.842 13.976 13.185 11.796 11.546 11.303 11.068 10.840 10.618 10.404 10.195 9.993 9.796 9.605 9.418 9.237 9.059 8.887 8.718 8.553 8.392 8.235 8.081 7.930 38.520 34.917 31.674 28.853 26.409 24.285 22.429 20.798 19.355 18.072 16.924 15.890 14.955 14.106 13.331 11.974 11.728 11.491 11.262 11.039 10.823 10.614 10.410 10.213 10.021 9.834 9.652 9.475 9.302 9.133 8.968 8.807 8.649 8.494 8.343 8.195 38.290 34.787 31.591 28.800 26.377 24.270 22.429 20.811 19.382 18.112 16.977 15.959 15.039 14.205 13.446 12.117 11.878 11.646 11.422 11.205 10.994 10.790 10.592 10.400 10.213 10.031 9.854 9.682 9.514 9.350 9.190 9.034 8.881 8.731 8.584 8.440 38.029 34.630 31.485 28.725 26.325 24.235 22.409 20.805 19.388 18.131 17.010 16.004 15.098 14.278 13.533 12.232 11.998 11.772 11.553 11.341 11.136 10.937 10.744 10.556 10.374 10.198 10.026 9.858 9.695 9.536 9.381 9.230 9.082 8.937 8.795 8.656 37.742 34.452 31.359 28.631 26.255 24.184 22.373 20.782 19.378 18.133 17.024 16.031 15.138 14.331 13.599 12.323 12.094 11.873 11.659 11.451 11.251 11.057 10.869 10.686 10.509 10.337 10.170 10.007 9.849 9.694 9.544 9.397 9.254 9.114 8.977 8.842 99999.999 34.254 31.216 28.522 26.169 24.117 22.322 20.745 19.354 18.121 17.023 16.042 15.160 14.365 13.645 12.393 12.169 11.952 11.743 11.540 11.344 11.155 10.971 10.793 10.620 10.452 10.289 10.131 9.977 9.827 9.681 9.538 9.399 9.263 9.131 9.001 wairakite CaAl2Si4O14H4 P-T:All Wt.(g/mol) = 434.410 V(cc/mol) = 190.400 D(g/cc) = 2.282 Ref: H&P2011 5 1.000 9 2.000 8 4.000 7 -2.000 2 -8.000 1 14.566 11.441 8.580 6.057 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.566 11.441 8.580 6.058 3.841 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.569 11.444 8.583 6.060 3.844 1.880 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.574 11.450 8.588 6.066 3.849 1.886 0.123 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.582 11.459 8.598 6.075 3.859 1.895 0.133 -1.474 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.595 11.473 8.613 6.090 3.874 1.910 0.148 -1.458 -2.947 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.614 11.495 8.635 6.112 3.896 1.933 0.171 -1.434 -2.922 -4.331 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.642 11.526 8.666 6.144 3.928 1.965 0.204 -1.400 -2.885 -4.292 -5.664 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.679 11.568 8.709 6.187 3.971 2.009 0.249 -1.353 -2.836 -4.238 -5.603 -6.976 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.728 11.623 8.766 6.244 4.028 2.067 0.309 -1.291 -2.770 -4.166 -5.522 -6.881 -8.265 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.790 11.694 8.839 6.318 4.102 2.141 0.385 -1.212 -2.686 -4.075 -5.418 -6.758 -8.122 -9.453 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.867 11.783 8.931 6.410 4.195 2.235 0.482 -1.111 -2.580 -3.959 -5.288 -6.603 -7.936 -9.285 -10.311 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.925 11.850 9.000 6.480 4.265 2.307 0.555 -1.035 -2.499 -3.872 -5.189 -6.487 -7.794 -9.130 -10.485 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.004 11.943 9.097 6.578 4.364 2.407 0.658 -0.928 -2.386 -3.750 -5.052 -6.324 -7.594 -8.895 -10.360 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.079 12.033 9.191 6.673 4.460 2.505 0.758 -0.824 -2.276 -3.631 -4.919 -6.167 -7.402 -8.657 -10.099 1.912 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.150 12.119 9.282 6.766 4.554 2.599 0.855 -0.723 -2.169 -3.516 -4.791 -6.017 -7.218 -8.424 -9.797 -5.808 -2.412 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.217 12.202 9.369 6.855 4.644 2.691 0.949 -0.624 -2.066 -3.405 -4.667 -5.873 -7.042 -8.200 -9.489 -7.579 -6.340 -4.181 -1.074 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.280 12.281 9.454 6.942 4.732 2.781 1.041 -0.529 -1.965 -3.297 -4.547 -5.735 -6.875 -7.989 -9.191 -8.315 -7.750 -6.769 -5.244 -3.193 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.340 12.358 9.536 7.026 4.817 2.868 1.131 -0.436 -1.867 -3.192 -4.431 -5.602 -6.717 -7.790 -8.912 -8.684 -8.421 -7.930 -7.140 -6.001 -4.539 -2.917 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.396 12.431 9.615 7.107 4.900 2.952 1.218 -0.345 -1.772 -3.090 -4.320 -5.476 -6.568 -7.606 -8.656 -8.879 -8.780 -8.539 -8.116 -7.473 -6.591 -5.497 -4.279 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.449 12.502 9.692 7.186 4.981 3.034 1.302 -0.257 -1.679 -2.991 -4.212 -5.355 -6.427 -7.435 -8.424 -8.976 -8.978 -8.883 -8.667 -8.305 -7.777 -7.079 -6.231 -5.287 -4.322 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.498 12.570 9.766 7.263 5.059 3.114 1.385 -0.172 -1.589 -2.894 -4.107 -5.239 -6.294 -7.277 -8.216 -9.015 -9.083 -9.081 -8.993 -8.802 -8.495 -8.059 -7.496 -6.822 -6.072 -5.287 -4.511 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.545 12.635 9.837 7.337 5.135 3.192 1.465 -0.088 -1.501 -2.801 -4.006 -5.127 -6.169 -7.132 -8.032 -9.015 -9.130 -9.191 -9.187 -9.109 -8.944 -8.683 -8.321 -7.862 -7.316 -6.706 -6.058 -5.397 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.588 12.697 9.906 7.409 5.209 3.268 1.543 -0.007 -1.416 -2.710 -3.908 -5.021 -6.051 -6.999 -7.870 -8.990 -9.138 -9.243 -9.299 -9.297 -9.229 -9.088 -8.868 -8.567 -8.188 -7.739 -7.234 -6.690 -6.122 -5.542 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.628 12.757 9.973 7.479 5.281 3.342 1.619 0.072 -1.332 -2.622 -3.813 -4.918 -5.940 -6.876 -7.728 -8.946 -9.120 -9.258 -9.356 -9.408 -9.409 -9.353 -9.234 -9.050 -8.798 -8.482 -8.108 -7.684 -7.221 -6.729 -6.213 99999.999 99999.999 99999.999 99999.999 99999.999 15.665 12.814 10.037 7.547 5.350 3.413 1.693 0.149 -1.251 -2.535 -3.722 -4.820 -5.834 -6.763 -7.602 -8.890 -9.082 -9.245 -9.375 -9.467 -9.518 -9.524 -9.479 -9.381 -9.226 -9.015 -8.750 -8.435 -8.075 -7.677 -7.245 -6.786 -6.300 99999.999 99999.999 99999.999 15.700 12.869 10.100 7.613 5.418 3.483 1.765 0.224 -1.172 -2.452 -3.632 -4.725 -5.733 -6.656 -7.490 -8.825 -9.032 -9.213 -9.367 -9.490 -9.578 -9.630 -9.640 -9.606 -9.526 -9.397 -9.220 -8.996 -8.728 -8.419 -8.073 -7.694 -7.282 -6.841 99999.999 99999.999 15.731 12.921 10.160 7.676 5.484 3.551 1.835 0.298 -1.095 -2.370 -3.545 -4.633 -5.636 -6.556 -7.388 -8.754 -8.971 -9.167 -9.339 -9.485 -9.603 -9.689 -9.741 -9.757 -9.733 -9.669 -9.563 -9.414 -9.224 -8.995 -8.727 -8.425 -8.088 -7.720 -7.320 -6.888 15.760 12.971 10.218 7.738 5.548 3.617 1.903 0.369 -1.020 -2.290 -3.461 -4.543 -5.542 -6.459 -7.292 -8.677 -8.904 -9.111 -9.298 -9.462 -9.602 -9.715 -9.799 -9.853 -9.874 -9.860 -9.810 -9.722 -9.598 -9.436 -9.239 -9.006 -8.740 -8.441 -8.111 -7.749 15.915 13.357 10.694 8.259 6.097 4.188 2.498 0.992 -0.363 -1.592 -2.718 -3.754 -4.711 -5.593 -6.406 -7.836 -8.093 -8.339 -8.577 -8.804 -9.023 -9.232 -9.431 -9.621 -9.801 -9.971 -10.131 -10.280 -10.418 -10.544 -10.659 -10.761 -10.851 -10.927 -10.990 -11.040 15.863 13.567 11.011 8.631 6.504 4.622 2.958 1.478 0.154 -1.041 -2.128 -3.124 -4.039 -4.884 -5.664 -7.050 -7.302 -7.547 -7.785 -8.015 -8.239 -8.457 -8.669 -8.875 -9.076 -9.270 -9.460 -9.645 -9.824 -9.999 -10.169 -10.334 -10.495 -10.651 -10.802 -10.949 15.648 13.635 11.200 8.885 6.800 4.949 3.311 1.857 0.561 -0.603 -1.656 -2.615 -3.494 -4.302 -5.047 -6.372 -6.614 -6.849 -7.078 -7.300 -7.517 -7.728 -7.934 -8.135 -8.332 -8.525 -8.713 -8.899 -9.080 -9.259 -9.434 -9.607 -9.777 -9.946 -10.112 -10.276 15.299 13.587 11.285 9.043 7.004 5.187 3.578 2.151 0.881 -0.255 -1.277 -2.204 -3.049 -3.823 -4.534 -5.797 -6.027 -6.251 -6.468 -6.680 -6.886 -7.087 -7.283 -7.475 -7.662 -7.846 -8.026 -8.203 -8.377 -8.548 -8.717 -8.883 -9.048 -9.211 -9.373 -9.533 14.842 13.445 11.283 9.119 7.132 5.353 3.773 2.373 1.130 0.020 -0.974 -1.872 -2.686 -3.428 -4.109 -5.311 -5.530 -5.742 -5.948 -6.148 -6.343 -6.533 -6.719 -6.900 -7.077 -7.250 -7.419 -7.586 -7.750 -7.911 -8.070 -8.226 -8.381 -8.535 -8.687 -8.838 14.293 13.223 11.207 9.128 7.195 5.456 3.909 2.537 1.319 0.235 -0.734 -1.604 -2.390 -3.104 -3.755 -4.901 -5.109 -5.310 -5.505 -5.695 -5.879 -6.058 -6.233 -6.403 -6.570 -6.733 -6.892 -7.048 -7.201 -7.352 -7.501 -7.647 -7.792 -7.935 -8.076 -8.217 13.666 12.932 11.070 9.078 7.203 5.507 3.993 2.650 1.458 0.398 -0.546 -1.391 -2.152 -2.839 -3.463 -4.556 -4.753 -4.944 -5.129 -5.308 -5.482 -5.652 -5.816 -5.977 -6.133 -6.286 -6.436 -6.582 -6.725 -6.866 -7.005 -7.141 -7.276 -7.409 -7.541 -7.671 99999.999 12.584 10.878 8.977 7.164 5.512 4.033 2.719 1.553 0.518 -0.403 -1.225 -1.961 -2.624 -3.223 -4.266 -4.454 -4.635 -4.810 -4.980 -5.145 -5.305 -5.460 -5.611 -5.758 -5.902 -6.042 -6.179 -6.314 -6.446 -6.575 -6.702 -6.828 -6.952 -7.075 -7.196 walstromite CaSiO3 P-T:All Wt.(g/mol) = 116.160 V(cc/mol) = 37.633 D(g/cc) = 3.087 Ref: H&P2011 4 1.000 9 1.000 7 -1.000 2 -2.000 1 16.165 14.754 13.511 12.431 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.165 14.754 13.511 12.431 11.490 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.166 14.755 13.512 12.432 11.491 10.664 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.167 14.756 13.513 12.433 11.492 10.665 9.931 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.168 14.757 13.514 12.435 11.493 10.667 9.933 9.274 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.170 14.760 13.517 12.437 11.496 10.669 9.935 9.277 8.678 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.174 14.764 13.521 12.441 11.500 10.673 9.939 9.281 8.683 8.131 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.179 14.769 13.526 12.446 11.505 10.679 9.945 9.287 8.690 8.139 7.621 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.185 14.776 13.534 12.454 11.513 10.686 9.953 9.296 8.699 8.149 7.632 7.135 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.194 14.785 13.543 12.463 11.523 10.696 9.964 9.307 8.711 8.162 7.648 7.153 6.667 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.204 14.797 13.555 12.476 11.535 10.709 9.977 9.321 8.726 8.179 7.667 7.177 6.697 6.219 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.217 14.812 13.571 12.491 11.551 10.726 9.994 9.339 8.745 8.200 7.692 7.207 6.735 6.263 5.802 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.227 14.823 13.582 12.503 11.563 10.738 10.007 9.352 8.760 8.216 7.710 7.230 6.763 6.298 5.809 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.239 14.838 13.598 12.519 11.579 10.755 10.024 9.371 8.780 8.239 7.736 7.261 6.802 6.348 5.859 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.251 14.852 13.613 12.535 11.595 10.771 10.041 9.389 8.799 8.260 7.760 7.290 6.840 6.397 5.922 6.831 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.262 14.865 13.627 12.549 11.610 10.787 10.058 9.406 8.818 8.281 7.784 7.318 6.875 6.443 5.987 6.009 6.282 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.271 14.878 13.641 12.563 11.625 10.802 10.073 9.423 8.836 8.300 7.806 7.345 6.909 6.487 6.050 5.829 5.873 6.011 6.220 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.280 14.890 13.653 12.577 11.639 10.816 10.089 9.439 8.853 8.320 7.828 7.371 6.940 6.528 6.109 5.766 5.736 5.752 5.821 5.930 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.288 14.901 13.666 12.590 11.652 10.830 10.103 9.455 8.870 8.338 7.849 7.395 6.970 6.566 6.164 5.743 5.681 5.644 5.639 5.668 5.721 5.771 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.295 14.911 13.677 12.602 11.665 10.843 10.117 9.470 8.886 8.356 7.869 7.418 6.998 6.602 6.214 5.739 5.659 5.597 5.554 5.534 5.537 5.556 5.575 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.302 14.921 13.688 12.613 11.677 10.856 10.131 9.484 8.902 8.373 7.888 7.441 7.024 6.635 6.259 5.744 5.655 5.577 5.514 5.466 5.435 5.421 5.417 5.415 5.406 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.307 14.930 13.698 12.625 11.689 10.868 10.144 9.498 8.917 8.389 7.906 7.462 7.049 6.665 6.299 5.756 5.660 5.573 5.497 5.432 5.380 5.341 5.314 5.296 5.280 5.262 5.236 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.312 14.938 13.708 12.635 11.700 10.880 10.156 9.511 8.931 8.405 7.924 7.482 7.072 6.692 6.335 5.770 5.670 5.578 5.493 5.417 5.352 5.297 5.252 5.217 5.188 5.163 5.138 5.110 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.316 14.945 13.717 12.645 11.710 10.891 10.168 9.524 8.945 8.421 7.941 7.501 7.094 6.718 6.367 5.787 5.684 5.588 5.497 5.415 5.340 5.274 5.216 5.167 5.126 5.090 5.058 5.029 4.999 4.970 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.319 14.953 13.726 12.655 11.721 10.902 10.180 9.537 8.959 8.435 7.958 7.519 7.115 6.741 6.395 5.805 5.701 5.601 5.507 5.419 5.338 5.264 5.198 5.138 5.086 5.040 5.000 4.964 4.931 4.901 4.871 99999.999 99999.999 99999.999 99999.999 99999.999 16.322 14.959 13.734 12.664 11.730 10.913 10.191 9.549 8.972 8.450 7.973 7.536 7.134 6.763 6.420 5.824 5.718 5.617 5.520 5.429 5.343 5.264 5.191 5.124 5.063 5.009 4.960 4.917 4.878 4.843 4.811 4.782 4.757 99999.999 99999.999 99999.999 16.323 14.965 13.742 12.672 11.740 10.923 10.202 9.560 8.985 8.463 7.988 7.553 7.152 6.783 6.442 5.844 5.737 5.634 5.535 5.442 5.353 5.270 5.191 5.119 5.052 4.991 4.935 4.885 4.840 4.799 4.762 4.729 4.701 4.676 99999.999 99999.999 16.325 14.970 13.749 12.680 11.748 10.932 10.212 9.571 8.997 8.477 8.003 7.569 7.170 6.802 6.463 5.863 5.755 5.652 5.552 5.457 5.366 5.279 5.198 5.121 5.049 4.983 4.921 4.865 4.814 4.767 4.725 4.687 4.654 4.625 4.601 4.582 16.325 14.975 13.755 12.688 11.757 10.941 10.222 9.582 9.008 8.490 8.017 7.585 7.187 6.820 6.482 5.883 5.775 5.670 5.570 5.473 5.380 5.292 5.208 5.128 5.052 4.982 4.916 4.854 4.798 4.746 4.699 4.656 4.618 4.584 4.555 4.531 16.297 14.995 13.796 12.741 11.819 11.012 10.300 9.669 9.104 8.596 8.135 7.715 7.330 6.975 6.648 6.065 5.958 5.854 5.753 5.655 5.560 5.467 5.376 5.288 5.202 5.119 5.037 4.959 4.882 4.808 4.736 4.666 4.599 4.535 4.473 4.413 16.219 14.972 13.799 12.760 11.849 11.050 10.347 9.724 9.169 8.670 8.219 7.810 7.435 7.092 6.775 6.212 6.109 6.009 5.912 5.817 5.724 5.634 5.546 5.460 5.376 5.294 5.214 5.136 5.059 4.984 4.911 4.839 4.768 4.699 4.632 4.566 16.101 14.915 13.772 12.751 11.852 11.064 10.370 9.755 9.208 8.718 8.277 7.877 7.512 7.179 6.872 6.328 6.229 6.133 6.039 5.948 5.859 5.772 5.688 5.606 5.525 5.447 5.370 5.294 5.221 5.149 5.078 5.008 4.940 4.873 4.807 4.742 15.951 14.831 13.720 12.718 11.834 11.057 10.372 9.766 9.228 8.746 8.313 7.922 7.567 7.242 6.945 6.419 6.323 6.230 6.140 6.052 5.967 5.884 5.803 5.724 5.647 5.572 5.498 5.427 5.356 5.287 5.220 5.154 5.089 5.025 4.962 4.900 15.774 14.724 13.647 12.667 11.798 11.033 10.358 9.761 9.231 8.758 8.333 7.950 7.603 7.287 6.998 6.488 6.396 6.306 6.219 6.134 6.052 5.972 5.895 5.819 5.745 5.673 5.603 5.535 5.468 5.402 5.338 5.275 5.213 5.152 5.093 5.034 15.574 14.597 13.557 12.600 11.747 10.994 10.330 9.742 9.220 8.755 8.338 7.963 7.624 7.316 7.034 6.540 6.451 6.364 6.280 6.198 6.119 6.042 5.968 5.895 5.824 5.755 5.688 5.622 5.558 5.495 5.434 5.374 5.315 5.257 5.201 5.145 15.354 14.454 13.452 12.518 11.682 10.943 10.290 9.712 9.198 8.741 8.332 7.964 7.632 7.331 7.057 6.577 6.491 6.407 6.326 6.247 6.170 6.096 6.024 5.954 5.886 5.820 5.755 5.692 5.631 5.571 5.512 5.455 5.399 5.344 5.290 5.237 99999.999 14.296 13.333 12.424 11.607 10.881 10.239 9.671 9.166 8.717 8.315 7.955 7.630 7.336 7.069 6.602 6.518 6.437 6.358 6.282 6.208 6.137 6.067 6.000 5.934 5.870 5.808 5.748 5.689 5.631 5.575 5.520 5.466 5.414 5.362 5.311 wollastonite CaSiO3 P-T:All Wt.(g/mol) = 116.160 V(cc/mol) = 39.930 D(g/cc) = 2.909 Ref: H&P2011 4 1.000 9 1.000 7 -1.000 2 -2.000 1 14.713 13.428 12.292 11.303 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.713 13.428 12.292 11.303 10.441 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.713 13.428 12.292 11.304 10.441 9.684 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.714 13.429 12.293 11.305 10.442 9.685 9.012 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.716 13.431 12.295 11.306 10.444 9.687 9.014 8.409 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.718 13.434 12.298 11.309 10.447 9.689 9.017 8.412 7.862 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.722 13.438 12.302 11.313 10.451 9.694 9.021 8.417 7.867 7.359 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.728 13.444 12.308 11.319 10.457 9.700 9.027 8.423 7.874 7.367 6.888 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.735 13.452 12.316 11.327 10.465 9.708 9.036 8.432 7.884 7.377 6.900 6.438 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.745 13.462 12.326 11.338 10.476 9.719 9.047 8.444 7.896 7.391 6.916 6.458 6.004 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.757 13.476 12.340 11.351 10.490 9.733 9.061 8.459 7.912 7.409 6.936 6.482 6.035 5.587 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.772 13.492 12.357 11.369 10.507 9.750 9.079 8.478 7.933 7.431 6.962 6.513 6.073 5.631 5.198 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.783 13.504 12.370 11.381 10.520 9.763 9.093 8.492 7.948 7.448 6.981 6.536 6.102 5.667 5.205 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.797 13.521 12.387 11.399 10.538 9.782 9.112 8.512 7.969 7.472 7.008 6.568 6.143 5.718 5.257 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.811 13.538 12.404 11.416 10.555 9.800 9.131 8.532 7.990 7.494 7.034 6.599 6.181 5.768 5.321 6.278 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.824 13.553 12.420 11.433 10.572 9.817 9.148 8.550 8.010 7.516 7.058 6.628 6.218 5.815 5.387 5.457 5.739 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.836 13.567 12.436 11.449 10.588 9.833 9.166 8.569 8.029 7.537 7.082 6.656 6.252 5.860 5.450 5.278 5.331 5.477 5.694 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.847 13.581 12.450 11.464 10.604 9.849 9.182 8.586 8.048 7.557 7.105 6.683 6.285 5.902 5.511 5.216 5.195 5.219 5.296 5.413 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.857 13.594 12.464 11.478 10.619 9.865 9.198 8.603 8.066 7.577 7.127 6.708 6.316 5.941 5.566 5.194 5.140 5.112 5.116 5.153 5.213 5.270 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.867 13.607 12.478 11.492 10.633 9.880 9.214 8.619 8.084 7.596 7.148 6.733 6.345 5.978 5.617 5.190 5.120 5.065 5.031 5.020 5.030 5.056 5.083 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.875 13.618 12.491 11.506 10.647 9.894 9.229 8.635 8.100 7.614 7.168 6.756 6.372 6.012 5.663 5.197 5.116 5.047 4.991 4.952 4.929 4.922 4.926 4.931 4.929 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.883 13.629 12.503 11.518 10.660 9.908 9.243 8.650 8.117 7.632 7.188 6.778 6.398 6.043 5.704 5.209 5.122 5.043 4.975 4.919 4.875 4.844 4.824 4.813 4.804 4.793 4.774 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.890 13.639 12.514 11.531 10.673 9.921 9.257 8.665 8.133 7.649 7.207 6.799 6.422 6.071 5.741 5.224 5.133 5.049 4.972 4.905 4.847 4.800 4.762 4.734 4.712 4.694 4.676 4.655 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.896 13.649 12.525 11.542 10.685 9.934 9.270 8.679 8.148 7.666 7.225 6.819 6.445 6.098 5.774 5.242 5.148 5.060 4.978 4.903 4.836 4.778 4.727 4.685 4.651 4.622 4.597 4.574 4.551 4.527 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.902 13.658 12.536 11.554 10.697 9.946 9.283 8.693 8.163 7.682 7.242 6.839 6.466 6.122 5.803 5.261 5.165 5.074 4.988 4.909 4.835 4.769 4.710 4.657 4.612 4.573 4.540 4.510 4.484 4.459 4.436 99999.999 99999.999 99999.999 99999.999 99999.999 14.906 13.667 12.546 11.564 10.708 9.958 9.296 8.706 8.177 7.697 7.259 6.857 6.487 6.145 5.829 5.281 5.183 5.090 5.002 4.919 4.841 4.769 4.703 4.644 4.590 4.543 4.501 4.464 4.431 4.402 4.376 4.353 4.334 99999.999 99999.999 99999.999 14.910 13.674 12.555 11.575 10.719 9.969 9.308 8.719 8.191 7.712 7.276 6.875 6.506 6.166 5.852 5.301 5.203 5.108 5.018 4.933 4.852 4.776 4.705 4.640 4.580 4.525 4.476 4.433 4.393 4.359 4.328 4.301 4.278 4.259 99999.999 99999.999 14.914 13.682 12.564 11.584 10.730 9.981 9.320 8.732 8.204 7.727 7.291 6.892 6.525 6.186 5.874 5.322 5.223 5.127 5.036 4.948 4.865 4.786 4.712 4.642 4.578 4.518 4.463 4.413 4.368 4.328 4.292 4.260 4.232 4.209 4.190 4.177 14.916 13.688 12.572 11.594 10.740 9.991 9.331 8.744 8.217 7.741 7.307 6.909 6.543 6.205 5.894 5.342 5.243 5.147 5.054 4.966 4.881 4.800 4.723 4.650 4.582 4.518 4.458 4.403 4.353 4.307 4.266 4.229 4.197 4.168 4.145 4.126 14.911 13.728 12.632 11.664 10.818 10.077 9.423 8.844 8.326 7.859 7.436 7.050 6.696 6.370 6.070 5.533 5.435 5.339 5.247 5.156 5.068 4.983 4.899 4.818 4.739 4.662 4.588 4.515 4.445 4.377 4.311 4.247 4.185 4.126 4.069 4.015 14.855 13.726 12.654 11.700 10.864 10.130 9.484 8.913 8.403 7.945 7.532 7.156 6.812 6.497 6.206 5.689 5.595 5.503 5.413 5.326 5.241 5.158 5.078 4.999 4.921 4.846 4.772 4.700 4.630 4.560 4.493 4.426 4.362 4.298 4.236 4.175 14.758 13.689 12.645 11.708 10.883 10.159 9.521 8.957 8.455 8.005 7.601 7.234 6.900 6.594 6.313 5.814 5.723 5.635 5.549 5.466 5.384 5.305 5.227 5.152 5.078 5.006 4.935 4.866 4.799 4.732 4.667 4.603 4.540 4.479 4.418 4.358 14.630 13.625 12.612 11.693 10.881 10.167 9.538 8.982 8.487 8.045 7.649 7.290 6.964 6.667 6.395 5.914 5.826 5.741 5.659 5.578 5.500 5.424 5.350 5.278 5.208 5.139 5.072 5.006 4.941 4.878 4.816 4.756 4.696 4.637 4.580 4.523 14.475 13.538 12.557 11.659 10.861 10.158 9.538 8.990 8.503 8.069 7.680 7.329 7.011 6.722 6.458 5.992 5.908 5.826 5.746 5.669 5.594 5.521 5.450 5.381 5.314 5.248 5.184 5.121 5.060 5.000 4.941 4.884 4.827 4.772 4.717 4.663 14.297 13.431 12.486 11.609 10.826 10.134 9.524 8.984 8.505 8.079 7.697 7.353 7.043 6.761 6.504 6.053 5.971 5.892 5.816 5.741 5.669 5.599 5.531 5.465 5.400 5.338 5.276 5.217 5.158 5.101 5.045 4.990 4.937 4.884 4.832 4.782 14.099 13.308 12.399 11.544 10.778 10.098 9.498 8.967 8.496 8.076 7.701 7.365 7.061 6.787 6.537 6.099 6.020 5.944 5.870 5.798 5.729 5.661 5.596 5.532 5.470 5.410 5.351 5.294 5.238 5.184 5.131 5.078 5.027 4.977 4.928 4.880 99999.999 13.170 12.299 11.468 10.718 10.051 9.461 8.939 8.476 8.064 7.696 7.366 7.069 6.801 6.558 6.133 6.057 5.983 5.911 5.842 5.775 5.710 5.647 5.586 5.526 5.468 5.412 5.357 5.304 5.251 5.201 5.151 5.102 5.054 5.007 4.962 pseudo-wollastonite CaSiO3 P-T:All Wt.(g/mol) = 116.160 V(cc/mol) = 40.080 D(g/cc) = 2.898 Ref: H&P2011 4 1.000 9 1.000 7 -1.000 2 -2.000 1 15.547 14.169 12.954 11.899 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.547 14.169 12.954 11.899 10.979 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.548 14.169 12.955 11.899 10.980 10.172 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.549 14.170 12.956 11.900 10.981 10.173 9.456 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.550 14.172 12.957 11.902 10.982 10.175 9.458 8.815 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.553 14.175 12.960 11.905 10.985 10.178 9.461 8.818 8.234 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.557 14.179 12.964 11.909 10.990 10.182 9.466 8.823 8.239 7.700 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.562 14.185 12.970 11.915 10.995 10.188 9.472 8.829 8.246 7.708 7.201 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.570 14.193 12.979 11.923 11.004 10.196 9.480 8.838 8.255 7.718 7.214 6.727 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.579 14.204 12.989 11.934 11.014 10.207 9.492 8.850 8.268 7.732 7.230 6.746 6.270 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.592 14.217 13.003 11.947 11.028 10.221 9.506 8.865 8.284 7.750 7.250 6.771 6.301 5.833 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.607 14.233 13.020 11.965 11.045 10.239 9.524 8.884 8.305 7.773 7.276 6.802 6.340 5.877 5.425 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.618 14.246 13.033 11.978 11.058 10.252 9.538 8.899 8.320 7.789 7.295 6.825 6.369 5.913 5.432 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.633 14.263 13.050 11.995 11.077 10.271 9.557 8.919 8.342 7.813 7.322 6.858 6.409 5.964 5.484 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.647 14.279 13.067 12.013 11.094 10.289 9.576 8.938 8.362 7.836 7.348 6.888 6.448 6.014 5.548 6.472 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.660 14.295 13.083 12.029 11.111 10.306 9.594 8.957 8.382 7.858 7.372 6.918 6.484 6.061 5.614 5.652 5.928 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.672 14.309 13.099 12.045 11.127 10.322 9.611 8.975 8.402 7.879 7.396 6.946 6.519 6.106 5.678 5.473 5.519 5.660 5.871 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.683 14.323 13.114 12.060 11.143 10.339 9.628 8.993 8.421 7.899 7.419 6.972 6.552 6.149 5.738 5.410 5.383 5.401 5.473 5.585 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.693 14.337 13.128 12.075 11.158 10.354 9.644 9.010 8.439 7.919 7.441 6.998 6.583 6.188 5.794 5.388 5.329 5.295 5.293 5.325 5.380 5.432 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.703 14.349 13.142 12.089 11.172 10.369 9.659 9.026 8.456 7.938 7.462 7.022 6.612 6.224 5.845 5.385 5.308 5.248 5.209 5.192 5.197 5.218 5.239 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.711 14.361 13.154 12.103 11.186 10.383 9.674 9.042 8.473 7.956 7.483 7.046 6.639 6.258 5.891 5.391 5.305 5.230 5.169 5.124 5.096 5.084 5.082 5.083 5.076 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.719 14.372 13.167 12.116 11.200 10.397 9.689 9.057 8.490 7.974 7.502 7.068 6.665 6.289 5.932 5.404 5.311 5.227 5.153 5.091 5.042 5.005 4.981 4.965 4.951 4.936 4.912 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.726 14.382 13.178 12.128 11.213 10.411 9.703 9.072 8.505 7.991 7.521 7.089 6.689 6.318 5.969 5.419 5.322 5.232 5.150 5.077 5.014 4.962 4.919 4.886 4.860 4.837 4.814 4.789 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.733 14.392 13.190 12.140 11.225 10.424 9.716 9.087 8.521 8.008 7.540 7.109 6.712 6.344 6.002 5.437 5.337 5.243 5.155 5.075 5.003 4.939 4.884 4.838 4.798 4.765 4.736 4.708 4.681 4.653 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.738 14.401 13.200 12.151 11.237 10.436 9.729 9.100 8.536 8.024 7.557 7.129 6.734 6.369 6.031 5.456 5.354 5.257 5.166 5.081 5.002 4.931 4.867 4.810 4.760 4.716 4.678 4.645 4.614 4.585 4.558 99999.999 99999.999 99999.999 99999.999 99999.999 15.743 14.410 13.210 12.162 11.248 10.448 9.742 9.114 8.550 8.040 7.574 7.147 6.754 6.392 6.057 5.476 5.373 5.274 5.180 5.091 5.008 4.931 4.860 4.796 4.738 4.686 4.639 4.598 4.561 4.528 4.499 4.472 4.448 99999.999 99999.999 99999.999 15.747 14.418 13.220 12.172 11.259 10.460 9.754 9.127 8.564 8.055 7.590 7.165 6.774 6.413 6.080 5.496 5.392 5.292 5.196 5.105 5.019 4.938 4.862 4.792 4.727 4.668 4.615 4.567 4.524 4.485 4.450 4.420 4.393 4.370 99999.999 99999.999 15.751 14.425 13.229 12.182 11.270 10.471 9.766 9.139 8.577 8.069 7.606 7.182 6.792 6.433 6.102 5.517 5.412 5.311 5.214 5.121 5.032 4.948 4.869 4.795 4.725 4.661 4.602 4.548 4.498 4.454 4.414 4.378 4.347 4.320 4.298 4.281 15.754 14.432 13.237 12.192 11.280 10.481 9.777 9.152 8.591 8.083 7.622 7.199 6.810 6.452 6.122 5.537 5.432 5.330 5.232 5.138 5.048 4.962 4.880 4.802 4.729 4.661 4.597 4.538 4.483 4.434 4.388 4.348 4.311 4.280 4.253 4.230 15.749 14.473 13.298 12.264 11.360 10.568 9.871 9.252 8.700 8.203 7.752 7.341 6.964 6.618 6.298 5.729 5.625 5.523 5.425 5.329 5.236 5.145 5.057 4.971 4.887 4.806 4.727 4.650 4.576 4.503 4.433 4.366 4.301 4.238 4.177 4.120 15.695 14.472 13.321 12.301 11.406 10.623 9.933 9.322 8.778 8.289 7.848 7.447 7.081 6.745 6.436 5.886 5.785 5.687 5.592 5.500 5.410 5.322 5.236 5.152 5.070 4.990 4.912 4.836 4.761 4.688 4.616 4.546 4.477 4.410 4.344 4.280 15.600 14.437 13.314 12.310 11.427 10.652 9.970 9.367 8.831 8.350 7.918 7.526 7.169 6.843 6.543 6.011 5.914 5.820 5.729 5.640 5.553 5.468 5.386 5.306 5.227 5.151 5.076 5.002 4.930 4.860 4.791 4.723 4.656 4.591 4.527 4.463 15.473 14.374 13.281 12.296 11.426 10.661 9.988 9.393 8.864 8.391 7.967 7.583 7.235 6.917 6.626 6.111 6.018 5.927 5.839 5.753 5.670 5.589 5.510 5.433 5.357 5.284 5.212 5.142 5.074 5.007 4.941 4.876 4.813 4.750 4.689 4.629 15.319 14.288 13.228 12.263 11.407 10.653 9.989 9.402 8.881 8.416 7.999 7.623 7.282 6.972 6.689 6.190 6.100 6.012 5.927 5.844 5.764 5.686 5.610 5.536 5.464 5.394 5.325 5.258 5.193 5.129 5.066 5.005 4.944 4.885 4.827 4.770 15.143 14.183 13.158 12.214 11.373 10.631 9.976 9.397 8.884 8.426 8.016 7.647 7.314 7.012 6.736 6.252 6.164 6.079 5.997 5.917 5.840 5.765 5.692 5.620 5.551 5.484 5.418 5.354 5.291 5.230 5.170 5.112 5.054 4.998 4.943 4.888 14.947 14.061 13.072 12.150 11.325 10.596 9.951 9.381 8.875 8.425 8.022 7.660 7.334 7.038 6.769 6.298 6.214 6.131 6.052 5.975 5.900 5.827 5.757 5.688 5.622 5.557 5.494 5.432 5.372 5.314 5.256 5.200 5.145 5.092 5.039 4.987 99999.999 13.925 12.973 12.075 11.267 10.550 9.915 9.354 8.856 8.413 8.017 7.662 7.342 7.053 6.791 6.333 6.251 6.171 6.094 6.019 5.947 5.876 5.808 5.742 5.678 5.616 5.555 5.496 5.438 5.382 5.327 5.273 5.220 5.169 5.119 5.069 zoisite Ca2Al3Si3O13H P-T:All Wt.(g/mol) = 454.360 V(cc/mol) = 135.750 D(g/cc) = 3.347 Ref: H&P2011 5 2.000 9 3.000 8 3.000 7 1.000 2 -13.000 1 45.739 38.769 32.671 27.371 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.739 38.769 32.671 27.371 22.734 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.741 38.772 32.674 27.375 22.737 18.633 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.747 38.778 32.680 27.380 22.743 18.639 14.958 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.756 38.788 32.689 27.390 22.753 18.649 14.968 11.621 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.770 38.803 32.705 27.406 22.769 18.665 14.985 11.639 8.552 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.792 38.826 32.728 27.429 22.792 18.689 15.010 11.666 8.581 5.686 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.822 38.858 32.761 27.462 22.826 18.724 15.046 11.704 8.623 5.733 2.956 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.863 38.903 32.806 27.507 22.871 18.770 15.095 11.756 8.680 5.796 3.031 0.308 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.917 38.961 32.865 27.567 22.932 18.832 15.160 11.825 8.755 5.881 3.129 0.429 -2.253 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 45.986 39.036 32.941 27.643 23.009 18.912 15.243 11.914 8.851 5.989 3.256 0.584 -2.068 -4.602 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.071 39.130 33.037 27.740 23.107 19.013 15.349 12.026 8.973 6.124 3.415 0.780 -1.828 -4.399 -6.357 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.135 39.200 33.110 27.813 23.181 19.089 15.428 12.111 9.065 6.227 3.535 0.928 -1.642 -4.201 -6.705 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.222 39.299 33.211 27.916 23.285 19.196 15.540 12.230 9.194 6.371 3.702 1.134 -1.382 -3.890 -6.591 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.306 39.393 33.309 28.015 23.386 19.300 15.649 12.345 9.319 6.510 3.863 1.331 -1.130 -3.571 -6.250 12.499 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.385 39.484 33.403 28.111 23.484 19.400 15.754 12.457 9.440 6.644 4.018 1.520 -0.889 -3.258 -5.837 -0.066 5.329 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.459 39.571 33.494 28.204 23.579 19.498 15.856 12.566 9.558 6.774 4.168 1.700 -0.661 -2.958 -5.411 -3.013 -1.112 2.284 7.231 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.530 39.655 33.582 28.294 23.671 19.593 15.956 12.672 9.672 6.900 4.311 1.872 -0.445 -2.674 -4.997 -4.280 -3.475 -1.991 0.383 3.621 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.597 39.736 33.667 28.381 23.760 19.685 16.052 12.774 9.783 7.022 4.450 2.036 -0.241 -2.410 -4.610 -4.947 -4.635 -3.949 -2.772 -1.019 1.265 3.819 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.660 39.813 33.750 28.466 23.847 19.775 16.146 12.874 9.890 7.140 4.583 2.193 -0.051 -2.166 -4.256 -5.327 -5.286 -5.008 -4.429 -3.487 -2.150 -0.461 1.436 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.720 39.887 33.829 28.548 23.931 19.862 16.237 12.971 9.995 7.255 4.712 2.341 0.128 -1.941 -3.938 -5.546 -5.672 -5.633 -5.393 -4.911 -4.153 -3.112 -1.822 -0.370 1.124 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.776 39.959 33.906 28.627 24.013 19.947 16.326 13.065 10.096 7.366 4.836 2.483 0.295 -1.737 -3.658 -5.668 -5.903 -6.019 -5.989 -5.788 -5.391 -4.780 -3.958 -2.950 -1.812 -0.615 0.574 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.828 40.027 33.980 28.704 24.092 20.029 16.412 13.157 10.195 7.474 4.956 2.618 0.451 -1.551 -3.413 -5.725 -6.038 -6.257 -6.368 -6.351 -6.188 -5.865 -5.374 -4.718 -3.918 -3.009 -2.034 -1.035 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.878 40.093 34.051 28.779 24.169 20.109 16.496 13.246 10.291 7.578 5.071 2.747 0.597 -1.382 -3.201 -5.738 -6.107 -6.401 -6.609 -6.719 -6.717 -6.591 -6.333 -5.938 -5.411 -4.768 -4.030 -3.226 -2.380 -1.512 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.924 40.156 34.120 28.851 24.244 20.186 16.578 13.333 10.385 7.680 5.183 2.870 0.733 -1.229 -3.019 -5.721 -6.131 -6.480 -6.759 -6.959 -7.071 -7.086 -6.994 -6.791 -6.475 -6.051 -5.529 -4.923 -4.251 -3.529 -2.768 99999.999 99999.999 99999.999 99999.999 99999.999 46.966 40.216 34.187 28.921 24.317 20.262 16.657 13.418 10.476 7.779 5.290 2.988 0.862 -1.089 -2.862 -5.681 -6.123 -6.513 -6.845 -7.112 -7.308 -7.425 -7.455 -7.395 -7.239 -6.988 -6.646 -6.219 -5.717 -5.150 -4.529 -3.861 -3.150 99999.999 99999.999 99999.999 47.006 40.273 34.251 28.989 24.387 20.335 16.734 13.500 10.564 7.875 5.395 3.101 0.984 -0.960 -2.726 -5.624 -6.092 -6.513 -6.886 -7.204 -7.462 -7.655 -7.778 -7.824 -7.791 -7.676 -7.480 -7.204 -6.853 -6.434 -5.953 -5.416 -4.828 -4.191 99999.999 99999.999 47.043 40.328 34.313 29.055 24.456 20.407 16.809 13.580 10.650 7.968 5.496 3.211 1.100 -0.839 -2.604 -5.556 -6.042 -6.489 -6.893 -7.250 -7.557 -7.808 -8.000 -8.129 -8.191 -8.182 -8.102 -7.951 -7.729 -7.441 -7.090 -6.679 -6.214 -5.695 -5.126 -4.505 47.077 40.381 34.373 29.118 24.522 20.476 16.882 13.658 10.734 8.059 5.595 3.317 1.212 -0.724 -2.489 -5.478 -5.980 -6.447 -6.875 -7.263 -7.607 -7.904 -8.151 -8.343 -8.479 -8.554 -8.567 -8.517 -8.403 -8.227 -7.991 -7.696 -7.345 -6.941 -6.485 -5.977 47.272 40.786 34.862 29.652 25.089 21.074 17.515 14.334 11.465 8.853 6.458 4.249 2.208 0.319 -1.426 -4.516 -5.073 -5.612 -6.131 -6.631 -7.112 -7.575 -8.019 -8.444 -8.851 -9.237 -9.604 -9.951 -10.277 -10.581 -10.864 -11.124 -11.362 -11.576 -11.767 -11.934 47.245 41.004 35.183 30.030 25.505 21.524 18.000 14.858 12.034 9.474 7.138 4.991 3.009 1.176 -0.522 -3.560 -4.115 -4.655 -5.180 -5.690 -6.187 -6.670 -7.140 -7.597 -8.043 -8.476 -8.899 -9.311 -9.712 -10.102 -10.483 -10.853 -11.213 -11.564 -11.905 -12.237 47.043 41.073 35.371 30.283 25.804 21.859 18.369 15.263 12.478 9.965 7.678 5.585 3.658 1.879 0.231 -2.723 -3.265 -3.792 -4.306 -4.806 -5.294 -5.770 -6.235 -6.689 -7.133 -7.568 -7.993 -8.410 -8.819 -9.221 -9.615 -10.003 -10.385 -10.760 -11.130 -11.495 46.700 41.022 35.449 30.436 26.006 22.100 18.645 15.573 12.825 10.351 8.109 6.063 4.186 2.456 0.857 -2.008 -2.533 -3.045 -3.543 -4.029 -4.503 -4.965 -5.417 -5.859 -6.291 -6.714 -7.129 -7.536 -7.936 -8.330 -8.717 -9.098 -9.474 -9.846 -10.212 -10.575 46.242 40.872 35.437 30.504 26.128 22.264 18.845 15.807 13.093 10.655 8.452 6.448 4.616 2.931 1.377 -1.401 -1.911 -2.406 -2.889 -3.359 -3.817 -4.264 -4.701 -5.128 -5.546 -5.955 -6.356 -6.749 -7.135 -7.515 -7.889 -8.257 -8.621 -8.979 -9.334 -9.685 45.687 40.639 35.350 30.501 26.183 22.363 18.981 15.977 13.296 10.891 8.723 6.757 4.965 3.321 1.808 -0.889 -1.382 -1.862 -2.329 -2.784 -3.227 -3.659 -4.081 -4.493 -4.896 -5.291 -5.677 -6.056 -6.428 -6.794 -7.153 -7.507 -7.856 -8.200 -8.540 -8.877 45.052 40.336 35.198 30.438 26.181 22.407 19.063 16.092 13.444 11.071 8.935 7.003 5.246 3.640 2.165 -0.456 -0.935 -1.400 -1.852 -2.293 -2.722 -3.140 -3.547 -3.945 -4.335 -4.715 -5.088 -5.453 -5.811 -6.162 -6.508 -6.848 -7.183 -7.513 -7.839 -8.162 99999.999 39.975 34.992 30.323 26.130 22.404 19.098 16.162 13.544 11.202 9.097 7.196 5.472 3.900 2.459 -0.092 -0.557 -1.008 -1.447 -1.874 -2.290 -2.694 -3.089 -3.474 -3.850 -4.218 -4.577 -4.929 -5.274 -5.613 -5.946 -6.273 -6.595 -6.913 -7.226 -7.535 Ag2O Ag2O P-T:All Wt.(g/mol) = 231.730 V(cc/mol) = 30.000 D(g/cc) = 7.724 Ref: Bess05 3 -2.000 1 2.000 18 1.000 2 13.286 12.577 12.002 11.534 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.286 12.577 12.002 11.534 11.150 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.286 12.577 12.002 11.534 11.150 10.832 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.287 12.578 12.003 11.535 11.151 10.832 10.566 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.288 12.579 12.004 11.536 11.151 10.833 10.567 10.343 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.290 12.580 12.005 11.537 11.152 10.834 10.568 10.344 10.152 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.293 12.583 12.007 11.539 11.154 10.835 10.569 10.345 10.154 9.989 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.297 12.586 12.010 11.541 11.156 10.838 10.572 10.347 10.156 9.991 9.845 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.303 12.590 12.014 11.545 11.160 10.841 10.574 10.350 10.159 9.994 9.848 9.715 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.310 12.596 12.019 11.549 11.164 10.845 10.578 10.354 10.162 9.998 9.852 9.720 9.595 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.320 12.604 12.026 11.555 11.169 10.850 10.583 10.358 10.167 10.002 9.858 9.727 9.604 9.481 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.332 12.614 12.034 11.563 11.176 10.856 10.589 10.364 10.173 10.009 9.865 9.735 9.614 9.495 9.364 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.341 12.622 12.041 11.569 11.182 10.861 10.594 10.369 10.178 10.013 9.870 9.741 9.622 9.506 9.375 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.354 12.632 12.050 11.577 11.189 10.868 10.600 10.375 10.184 10.020 9.877 9.750 9.633 9.521 9.396 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.366 12.642 12.059 11.585 11.196 10.875 10.607 10.381 10.190 10.026 9.884 9.758 9.643 9.534 9.417 9.468 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.378 12.652 12.067 11.592 11.203 10.881 10.613 10.387 10.196 10.032 9.890 9.765 9.653 9.547 9.436 9.407 9.415 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.389 12.661 12.076 11.600 11.210 10.888 10.619 10.393 10.202 10.038 9.897 9.773 9.662 9.559 9.454 9.394 9.386 9.382 9.367 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.401 12.671 12.084 11.607 11.217 10.894 10.625 10.399 10.208 10.044 9.903 9.780 9.670 9.570 9.471 9.392 9.377 9.367 9.357 9.342 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.411 12.679 12.092 11.614 11.223 10.900 10.631 10.405 10.213 10.050 9.909 9.786 9.678 9.581 9.486 9.394 9.377 9.362 9.349 9.337 9.321 9.293 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.422 12.688 12.099 11.621 11.230 10.906 10.636 10.410 10.219 10.055 9.915 9.793 9.685 9.590 9.500 9.399 9.380 9.363 9.347 9.334 9.320 9.303 9.280 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.432 12.697 12.107 11.628 11.236 10.912 10.642 10.415 10.224 10.060 9.920 9.799 9.692 9.599 9.512 9.403 9.384 9.365 9.349 9.334 9.320 9.305 9.289 9.268 9.242 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.441 12.705 12.114 11.635 11.242 10.918 10.647 10.421 10.229 10.066 9.925 9.804 9.699 9.607 9.523 9.409 9.388 9.370 9.352 9.336 9.321 9.307 9.292 9.276 9.258 9.235 9.209 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.450 12.713 12.121 11.641 11.248 10.923 10.653 10.426 10.234 10.071 9.931 9.810 9.705 9.614 9.532 9.414 9.394 9.374 9.356 9.340 9.324 9.309 9.295 9.280 9.265 9.248 9.229 9.208 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.459 12.721 12.128 11.647 11.254 10.929 10.658 10.431 10.239 10.075 9.936 9.815 9.711 9.620 9.541 9.420 9.399 9.379 9.361 9.344 9.328 9.313 9.298 9.284 9.270 9.256 9.241 9.224 9.207 9.188 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.468 12.728 12.135 11.654 11.259 10.934 10.663 10.436 10.244 10.080 9.940 9.820 9.716 9.627 9.548 9.425 9.404 9.385 9.366 9.349 9.332 9.317 9.302 9.288 9.275 9.261 9.248 9.234 9.220 9.205 9.190 99999.999 99999.999 99999.999 99999.999 99999.999 13.476 12.735 12.141 11.660 11.265 10.939 10.668 10.440 10.248 10.085 9.945 9.825 9.722 9.632 9.554 9.431 9.410 9.390 9.371 9.354 9.337 9.322 9.307 9.293 9.279 9.266 9.253 9.241 9.228 9.216 9.204 9.191 9.180 99999.999 99999.999 99999.999 13.484 12.742 12.148 11.665 11.270 10.944 10.673 10.445 10.253 10.089 9.950 9.830 9.727 9.637 9.560 9.436 9.415 9.395 9.377 9.359 9.342 9.327 9.312 9.297 9.284 9.271 9.259 9.247 9.235 9.224 9.213 9.202 9.192 9.183 99999.999 99999.999 13.492 12.749 12.154 11.671 11.276 10.949 10.677 10.449 10.257 10.094 9.954 9.834 9.731 9.642 9.565 9.441 9.420 9.401 9.382 9.364 9.347 9.332 9.317 9.302 9.289 9.276 9.264 9.252 9.241 9.230 9.220 9.210 9.202 9.193 9.186 9.180 13.500 12.756 12.160 11.677 11.281 10.954 10.682 10.454 10.261 10.098 9.959 9.839 9.736 9.647 9.570 9.446 9.426 9.406 9.387 9.369 9.353 9.337 9.322 9.307 9.294 9.281 9.269 9.257 9.246 9.236 9.226 9.217 9.209 9.201 9.194 9.189 13.560 12.813 12.213 11.726 11.327 10.997 10.723 10.493 10.300 10.137 9.997 9.878 9.776 9.688 9.613 9.492 9.472 9.452 9.434 9.417 9.401 9.385 9.371 9.357 9.344 9.331 9.319 9.308 9.297 9.287 9.277 9.268 9.259 9.251 9.244 9.237 13.600 12.856 12.255 11.766 11.365 11.033 10.757 10.526 10.332 10.168 10.029 9.910 9.808 9.721 9.647 9.528 9.508 9.490 9.472 9.456 9.440 9.425 9.411 9.398 9.386 9.374 9.362 9.352 9.342 9.332 9.323 9.314 9.306 9.298 9.290 9.283 13.624 12.887 12.287 11.798 11.396 11.063 10.786 10.554 10.359 10.194 10.055 9.936 9.835 9.749 9.675 9.558 9.538 9.520 9.503 9.487 9.472 9.458 9.444 9.432 9.420 9.409 9.398 9.388 9.378 9.369 9.361 9.353 9.345 9.338 9.331 9.324 13.634 12.909 12.313 11.824 11.421 11.088 10.810 10.577 10.382 10.217 10.077 9.959 9.858 9.772 9.698 9.583 9.564 9.546 9.529 9.513 9.499 9.485 9.472 9.460 9.448 9.437 9.427 9.418 9.409 9.400 9.392 9.385 9.378 9.371 9.364 9.358 13.634 12.924 12.333 11.846 11.443 11.109 10.831 10.597 10.401 10.236 10.096 9.978 9.877 9.791 9.718 9.604 9.585 9.567 9.551 9.536 9.521 9.508 9.495 9.483 9.472 9.462 9.452 9.443 9.434 9.426 9.419 9.412 9.405 9.399 9.393 9.387 13.624 12.932 12.348 11.863 11.461 11.127 10.849 10.615 10.419 10.253 10.113 9.994 9.894 9.808 9.736 9.622 9.603 9.586 9.570 9.555 9.540 9.527 9.515 9.503 9.492 9.482 9.473 9.464 9.456 9.448 9.441 9.434 9.428 9.422 9.417 9.411 13.607 12.936 12.359 11.877 11.477 11.143 10.865 10.631 10.434 10.268 10.128 10.009 9.909 9.823 9.751 9.638 9.620 9.602 9.586 9.571 9.557 9.544 9.532 9.521 9.510 9.500 9.491 9.483 9.475 9.467 9.460 9.454 9.448 9.442 9.437 9.432 99999.999 12.936 12.367 11.889 11.490 11.157 10.879 10.645 10.448 10.282 10.141 10.023 9.922 9.837 9.765 9.652 9.634 9.617 9.601 9.586 9.572 9.559 9.547 9.536 9.526 9.516 9.507 9.499 9.491 9.484 9.477 9.471 9.465 9.460 9.455 9.450 akaganeite FeO2H P-T:All Wt.(g/mol) = 88.850 V(cc/mol) = 20.820 D(g/cc) = 4.268 Ref: akg2011 5 -1.875 1 -0.125 6 1.500 2 0.125 4 1.000 11 12.267 10.867 9.671 8.640 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.267 10.867 9.671 8.640 7.742 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.268 10.868 9.671 8.641 7.742 6.949 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.269 10.868 9.672 8.641 7.743 6.949 6.238 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.270 10.870 9.673 8.642 7.744 6.950 6.240 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.272 10.872 9.675 8.644 7.746 6.952 6.242 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.275 10.875 9.678 8.647 7.748 6.955 6.244 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.280 10.879 9.682 8.651 7.752 6.959 6.248 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.286 10.885 9.687 8.656 7.757 6.964 6.254 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.295 10.892 9.694 8.663 7.764 6.971 6.261 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.306 10.902 9.704 8.672 7.773 6.980 6.270 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.319 10.915 9.715 8.683 7.784 6.991 6.282 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.330 10.924 9.724 8.692 7.793 6.999 6.291 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.344 10.938 9.737 8.704 7.805 7.012 6.303 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.359 10.951 9.750 8.716 7.816 7.023 6.315 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.373 10.964 9.762 8.728 7.828 7.035 6.327 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.386 10.977 9.774 8.739 7.839 7.046 6.339 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.399 10.989 9.785 8.750 7.850 7.057 6.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.412 11.001 9.797 8.761 7.861 7.068 6.362 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.424 11.012 9.808 8.772 7.871 7.079 6.372 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.436 11.024 9.819 8.783 7.882 7.089 6.383 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.448 11.035 9.829 8.793 7.892 7.099 6.393 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.460 11.046 9.840 8.803 7.902 7.109 6.404 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-36.612 -36.815 -37.038 -37.279 -37.533 -37.798 -38.070 -38.344 -74.130 -67.999 -62.811 -58.432 -54.715 -51.540 -48.814 -46.462 -44.427 -42.663 -41.133 -39.806 -38.659 -37.671 -36.826 -35.519 -35.314 -35.126 -34.957 -34.804 -34.669 -34.549 -34.447 -34.360 -34.288 -34.233 -34.192 -34.165 -34.153 -34.154 -34.168 -34.194 -34.232 -34.280 -34.338 -34.406 -73.840 -67.786 -62.628 -58.258 -54.540 -51.358 -48.619 -46.249 -44.192 -42.401 -40.838 -39.474 -38.283 -37.245 -36.343 -34.894 -34.655 -34.432 -34.224 -34.031 -33.852 -33.687 -33.535 -33.396 -33.270 -33.156 -33.055 -32.965 -32.885 -32.817 -32.759 -32.712 -32.673 -32.644 -32.624 -32.611 -73.566 -67.577 -62.442 -58.081 -54.363 -51.175 -48.426 -46.042 -43.968 -42.155 -40.568 -39.175 -37.952 -36.878 -35.936 -34.391 -34.130 -33.884 -33.652 -33.434 -33.229 -33.036 -32.856 -32.687 -32.530 -32.385 -32.249 -32.125 -32.010 -31.905 -31.809 -31.722 -31.644 -31.574 -31.513 -31.459 -73.305 -67.370 -62.257 -57.903 -54.185 -50.992 -48.235 -45.841 -43.752 -41.923 -40.316 -38.901 -37.653 -36.551 -35.578 -33.963 -33.686 -33.424 -33.175 -32.939 -32.716 -32.505 -32.305 -32.117 -31.939 -31.772 -31.615 -31.468 -31.330 -31.202 -31.082 -30.970 -30.867 -30.772 -30.684 -30.604 -73.054 -67.166 -62.071 -57.724 -54.007 -50.810 -48.047 -45.644 -43.544 -41.701 -40.079 -38.646 -37.378 -36.253 -35.256 -33.586 -33.298 -33.023 -32.762 -32.513 -32.276 -32.051 -31.837 -31.634 -31.442 -31.260 -31.087 -30.924 -30.770 -30.624 -30.488 -30.359 -30.238 -30.125 -30.020 -29.921 -72.812 -66.966 -61.887 -57.546 -53.829 -50.630 -47.861 -45.451 -43.342 -41.488 -39.853 -38.405 -37.121 -35.978 -34.961 -33.248 -32.950 -32.665 -32.394 -32.135 -31.888 -31.652 -31.427 -31.213 -31.010 -30.816 -30.631 -30.456 -30.290 -30.132 -29.983 -29.841 -29.708 -29.581 -29.462 -29.350 -72.578 -66.769 -61.705 -57.369 -53.653 -50.452 -47.678 -45.262 -43.145 -41.282 -39.636 -38.177 -36.878 -35.721 -34.688 -32.938 -32.633 -32.341 -32.061 -31.794 -31.538 -31.294 -31.061 -30.838 -30.625 -30.422 -30.229 -30.044 -29.868 -29.701 -29.542 -29.390 -29.247 -29.110 -28.981 -28.859 99999.999 -66.574 -61.524 -57.194 -53.478 -50.275 -47.498 -45.077 -42.953 -41.083 -39.428 -37.958 -36.649 -35.479 -34.433 -32.653 -32.341 -32.042 -31.756 -31.482 -31.220 -30.969 -30.729 -30.499 -30.279 -30.068 -29.867 -29.675 -29.491 -29.316 -29.149 -28.990 -28.839 -28.694 -28.557 -28.427 antimony Sb P-T:All Wt.(g/mol) = 121.750 V(cc/mol) = 18.180 D(g/cc) = 6.697 Ref: Bess05 5 -1.500 2 -0.375 4 -0.375 1 1.000 24 0.375 6 0.609 0.867 1.116 1.344 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.609 0.867 1.116 1.344 1.551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.609 0.866 1.115 1.344 1.551 1.739 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.609 0.866 1.115 1.343 1.550 1.738 1.910 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.608 0.865 1.114 1.342 1.549 1.737 1.909 2.069 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.607 0.864 1.113 1.341 1.548 1.736 1.908 2.068 2.218 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.606 0.862 1.111 1.339 1.546 1.734 1.906 2.066 2.216 2.361 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.603 0.859 1.108 1.336 1.543 1.731 1.904 2.063 2.213 2.358 2.501 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.600 0.855 1.104 1.332 1.539 1.727 1.900 2.060 2.210 2.354 2.496 2.643 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.596 0.850 1.099 1.327 1.534 1.723 1.895 2.055 2.205 2.348 2.490 2.635 2.794 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.591 0.844 1.092 1.320 1.528 1.716 1.889 2.048 2.198 2.341 2.482 2.625 2.780 2.966 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.585 0.835 1.083 1.312 1.519 1.708 1.881 2.040 2.190 2.333 2.472 2.613 2.762 2.936 3.195 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.580 0.829 1.077 1.305 1.513 1.702 1.875 2.034 2.184 2.326 2.464 2.604 2.750 2.916 3.144 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.573 0.820 1.068 1.296 1.504 1.693 1.866 2.026 2.175 2.317 2.454 2.591 2.733 2.891 3.093 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.566 0.812 1.059 1.288 1.496 1.685 1.858 2.018 2.167 2.308 2.445 2.580 2.718 2.868 3.052 3.777 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.560 0.804 1.050 1.279 1.487 1.677 1.850 2.010 2.159 2.300 2.435 2.569 2.704 2.848 3.018 3.416 3.638 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.553 0.796 1.042 1.271 1.479 1.669 1.843 2.002 2.151 2.292 2.427 2.558 2.691 2.830 2.988 3.314 3.437 3.608 3.859 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.547 0.788 1.034 1.263 1.472 1.661 1.835 1.995 2.144 2.284 2.418 2.549 2.679 2.813 2.962 3.256 3.348 3.461 3.605 3.795 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.541 0.780 1.026 1.255 1.464 1.654 1.828 1.988 2.137 2.277 2.410 2.539 2.667 2.798 2.939 3.215 3.292 3.381 3.485 3.612 3.768 3.955 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.535 0.773 1.018 1.247 1.456 1.647 1.821 1.981 2.130 2.269 2.402 2.530 2.657 2.784 2.919 3.183 3.251 3.327 3.412 3.510 3.624 3.758 3.913 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.530 0.766 1.010 1.240 1.449 1.640 1.814 1.974 2.123 2.262 2.395 2.522 2.647 2.771 2.901 3.157 3.219 3.286 3.360 3.442 3.534 3.639 3.757 3.890 4.035 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.524 0.758 1.003 1.233 1.442 1.633 1.807 1.968 2.116 2.256 2.387 2.514 2.637 2.759 2.885 3.134 3.192 3.254 3.320 3.392 3.471 3.558 3.654 3.761 3.878 4.004 4.135 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.519 0.752 0.996 1.226 1.435 1.627 1.801 1.961 2.110 2.249 2.381 2.506 2.628 2.749 2.870 3.115 3.170 3.227 3.288 3.353 3.423 3.499 3.581 3.671 3.768 3.873 3.983 4.098 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.513 0.745 0.989 1.219 1.429 1.620 1.795 1.955 2.104 2.243 2.374 2.499 2.620 2.739 2.858 3.097 3.149 3.204 3.261 3.321 3.384 3.452 3.525 3.603 3.687 3.777 3.871 3.970 4.072 4.176 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.508 0.738 0.982 1.212 1.422 1.614 1.789 1.949 2.098 2.237 2.368 2.492 2.612 2.730 2.846 3.081 3.132 3.183 3.237 3.293 3.353 3.415 3.481 3.551 3.625 3.704 3.786 3.873 3.962 4.054 4.146 99999.999 99999.999 99999.999 99999.999 99999.999 0.503 0.732 0.976 1.206 1.416 1.608 1.783 1.943 2.092 2.231 2.361 2.486 2.605 2.721 2.836 3.067 3.115 3.165 3.217 3.270 3.325 3.383 3.444 3.508 3.575 3.646 3.720 3.797 3.876 3.958 4.041 4.124 4.206 99999.999 99999.999 99999.999 0.498 0.726 0.969 1.199 1.410 1.602 1.777 1.938 2.086 2.225 2.355 2.479 2.598 2.713 2.826 3.054 3.101 3.149 3.198 3.249 3.302 3.356 3.413 3.472 3.534 3.599 3.666 3.735 3.807 3.881 3.956 4.032 4.107 4.182 99999.999 99999.999 0.494 0.720 0.963 1.193 1.404 1.596 1.771 1.932 2.081 2.219 2.350 2.473 2.592 2.706 2.818 3.041 3.087 3.134 3.182 3.230 3.281 3.332 3.386 3.442 3.499 3.559 3.621 3.685 3.751 3.818 3.887 3.956 4.026 4.095 4.163 4.229 0.489 0.714 0.957 1.187 1.398 1.590 1.766 1.927 2.076 2.214 2.344 2.467 2.585 2.699 2.810 3.030 3.075 3.120 3.166 3.214 3.262 3.311 3.362 3.415 3.469 3.525 3.583 3.642 3.703 3.766 3.829 3.893 3.958 4.022 4.085 4.148 0.448 0.663 0.904 1.135 1.348 1.542 1.719 1.881 2.030 2.168 2.297 2.418 2.533 2.642 2.746 2.946 2.985 3.023 3.062 3.100 3.139 3.177 3.216 3.255 3.294 3.333 3.372 3.412 3.452 3.492 3.532 3.573 3.613 3.654 3.694 3.735 0.416 0.622 0.862 1.094 1.308 1.504 1.683 1.846 1.996 2.135 2.263 2.383 2.496 2.602 2.703 2.892 2.929 2.964 3.000 3.035 3.069 3.104 3.138 3.172 3.206 3.240 3.273 3.307 3.340 3.373 3.406 3.439 3.472 3.505 3.538 3.571 0.391 0.590 0.829 1.062 1.278 1.476 1.656 1.820 1.971 2.109 2.237 2.357 2.468 2.573 2.672 2.855 2.890 2.924 2.958 2.991 3.024 3.056 3.088 3.119 3.151 3.182 3.212 3.243 3.273 3.303 3.332 3.362 3.391 3.420 3.449 3.478 0.371 0.564 0.803 1.037 1.254 1.453 1.635 1.800 1.951 2.090 2.219 2.338 2.448 2.552 2.650 2.829 2.863 2.896 2.928 2.960 2.992 3.023 3.053 3.083 3.113 3.142 3.171 3.200 3.228 3.256 3.283 3.311 3.338 3.365 3.392 3.418 0.354 0.543 0.782 1.017 1.236 1.436 1.619 1.785 1.937 2.077 2.205 2.324 2.434 2.537 2.634 2.810 2.843 2.876 2.907 2.938 2.969 2.999 3.028 3.058 3.086 3.114 3.142 3.169 3.196 3.223 3.249 3.275 3.301 3.327 3.352 3.377 0.341 0.527 0.766 1.002 1.222 1.424 1.607 1.775 1.927 2.067 2.196 2.314 2.424 2.527 2.622 2.797 2.829 2.861 2.892 2.923 2.953 2.982 3.011 3.039 3.067 3.094 3.121 3.148 3.174 3.200 3.225 3.250 3.275 3.299 3.324 3.348 0.331 0.514 0.753 0.990 1.212 1.414 1.599 1.767 1.920 2.061 2.189 2.308 2.418 2.520 2.615 2.788 2.820 2.851 2.882 2.912 2.942 2.970 2.999 3.026 3.054 3.080 3.107 3.133 3.158 3.183 3.208 3.232 3.256 3.280 3.303 3.327 99999.999 0.503 0.744 0.982 1.204 1.408 1.594 1.763 1.916 2.057 2.186 2.305 2.414 2.516 2.611 2.782 2.814 2.845 2.875 2.905 2.934 2.963 2.990 3.018 3.045 3.071 3.097 3.122 3.147 3.172 3.196 3.220 3.243 3.266 3.289 3.312 antimony Sb P-T:All Wt.(g/mol) = 121.750 V(cc/mol) = 18.180 D(g/cc) = 6.697 Ref: Bess05 3 -1.500 2 1.000 24 -0.750 31 57.646 52.735 48.530 44.887 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.646 52.735 48.530 44.887 41.694 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.647 52.736 48.531 44.887 41.694 38.870 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.648 52.736 48.531 44.887 41.695 38.871 36.351 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.649 52.737 48.532 44.888 41.696 38.871 36.351 34.085 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.651 52.739 48.534 44.890 41.697 38.873 36.353 34.087 32.034 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.654 52.741 48.536 44.892 41.699 38.875 36.355 34.089 32.036 30.165 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.659 52.745 48.539 44.894 41.702 38.877 36.357 34.091 32.039 30.168 28.449 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.665 52.750 48.543 44.898 41.705 38.881 36.361 34.095 32.043 30.172 28.455 26.865 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.673 52.757 48.549 44.904 41.711 38.886 36.366 34.100 32.049 30.178 28.461 26.873 25.389 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.684 52.765 48.557 44.911 41.717 38.893 36.373 34.107 32.056 30.186 28.470 26.884 25.403 23.997 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.698 52.777 48.567 44.920 41.726 38.901 36.381 34.116 32.065 30.196 28.481 26.897 25.421 24.026 22.645 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.709 52.786 48.575 44.928 41.733 38.908 36.388 34.123 32.072 30.203 28.489 26.907 25.433 24.045 22.697 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.725 52.799 48.586 44.938 41.743 38.918 36.398 34.133 32.083 30.214 28.501 26.920 25.450 24.069 22.746 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.741 52.812 48.598 44.949 41.754 38.928 36.408 34.143 32.093 30.225 28.513 26.934 25.466 24.091 22.782 19.780 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.758 52.825 48.610 44.960 41.764 38.938 36.418 34.153 32.103 30.236 28.525 26.947 25.482 24.111 22.813 20.223 19.576 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.774 52.839 48.622 44.971 41.774 38.948 36.428 34.163 32.113 30.247 28.537 26.960 25.497 24.130 22.839 20.357 19.829 19.256 18.621 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.790 52.852 48.634 44.982 41.785 38.958 36.438 34.173 32.124 30.258 28.548 26.972 25.511 24.147 22.863 20.434 19.946 19.442 18.912 18.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.807 52.866 48.646 44.993 41.795 38.969 36.448 34.183 32.134 30.268 28.559 26.985 25.525 24.164 22.884 20.489 20.020 19.546 19.062 18.564 18.047 17.516 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.824 52.879 48.658 45.004 41.806 38.979 36.458 34.193 32.144 30.279 28.571 26.997 25.539 24.180 22.904 20.533 20.075 19.618 19.158 18.692 18.217 17.733 17.241 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.840 52.893 48.670 45.016 41.817 38.989 36.468 34.204 32.155 30.290 28.582 27.009 25.553 24.196 22.923 20.569 20.119 19.672 19.226 18.780 18.330 17.876 17.417 16.954 16.491 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.857 52.907 48.682 45.027 41.828 39.000 36.479 34.214 32.165 30.300 28.593 27.021 25.566 24.211 22.941 20.601 20.156 19.717 19.280 18.846 18.412 17.977 17.541 17.102 16.663 16.225 15.791 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.874 52.921 48.695 45.038 41.839 39.010 36.489 34.224 32.176 30.311 28.604 27.033 25.579 24.225 22.958 20.630 20.189 19.754 19.325 18.899 18.476 18.054 17.633 17.212 16.791 16.371 15.954 15.541 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.891 52.935 48.707 45.050 41.849 39.021 36.499 34.234 32.186 30.322 28.615 27.045 25.592 24.240 22.975 20.655 20.218 19.788 19.363 18.943 18.528 18.115 17.705 17.297 16.890 16.485 16.082 15.682 15.287 14.897 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.908 52.949 48.720 45.062 41.861 39.032 36.510 34.245 32.196 30.332 28.626 27.056 25.604 24.254 22.991 20.679 20.245 19.817 19.397 18.982 18.572 18.167 17.765 17.366 16.969 16.575 16.184 15.796 15.412 15.032 14.658 99999.999 99999.999 99999.999 99999.999 99999.999 57.925 52.963 48.733 45.073 41.872 39.042 36.520 34.255 32.207 30.343 28.637 27.068 25.616 24.267 23.006 20.701 20.269 19.844 19.427 19.016 18.611 18.210 17.815 17.423 17.034 16.649 16.267 15.889 15.514 15.144 14.778 14.418 14.064 99999.999 99999.999 99999.999 57.942 52.978 48.745 45.085 41.883 39.053 36.531 34.266 32.217 30.354 28.648 27.079 25.629 24.281 23.021 20.722 20.292 19.869 19.454 19.046 18.645 18.249 17.858 17.472 17.090 16.712 16.337 15.967 15.600 15.237 14.879 14.526 14.178 13.836 99999.999 99999.999 57.959 52.992 48.758 45.097 41.894 39.064 36.541 34.276 32.228 30.364 28.659 27.091 25.641 24.294 23.036 20.742 20.313 19.893 19.480 19.074 18.676 18.283 17.896 17.515 17.138 16.765 16.397 16.032 15.672 15.316 14.965 14.618 14.276 13.940 13.609 13.284 57.977 53.007 48.771 45.109 41.905 39.075 36.552 34.286 32.238 30.375 28.670 27.102 25.653 24.307 23.050 20.761 20.333 19.914 19.504 19.100 18.704 18.314 17.931 17.553 17.180 16.812 16.448 16.089 15.735 15.385 15.039 14.697 14.361 14.030 13.704 13.383 58.152 53.154 48.904 45.232 42.021 39.186 36.660 34.393 32.344 30.481 28.778 27.212 25.768 24.428 23.180 20.919 20.499 20.089 19.688 19.296 18.913 18.537 18.169 17.808 17.454 17.107 16.767 16.432 16.103 15.780 15.463 15.151 14.843 14.541 14.244 13.952 58.332 53.307 49.041 45.359 42.141 39.301 36.771 34.501 32.450 30.587 28.884 27.320 25.877 24.540 23.297 21.049 20.632 20.226 19.829 19.442 19.063 18.692 18.330 17.975 17.628 17.288 16.955 16.628 16.307 15.993 15.685 15.382 15.085 14.793 14.506 14.224 58.514 53.463 49.182 45.490 42.264 39.418 36.884 34.611 32.558 30.693 28.989 27.425 25.983 24.647 23.406 21.165 20.751 20.346 19.952 19.567 19.190 18.822 18.463 18.111 17.767 17.430 17.100 16.777 16.461 16.151 15.846 15.548 15.256 14.968 14.687 14.410 58.699 53.622 49.326 45.623 42.389 39.537 36.998 34.722 32.666 30.799 29.093 27.529 26.086 24.752 23.511 21.274 20.861 20.457 20.064 19.680 19.305 18.939 18.581 18.231 17.889 17.554 17.226 16.905 16.591 16.283 15.981 15.685 15.395 15.110 14.831 14.557 58.885 53.783 49.471 45.757 42.516 39.658 37.114 34.833 32.774 30.905 29.198 27.632 26.189 24.853 23.613 21.378 20.965 20.562 20.170 19.786 19.412 19.047 18.690 18.341 18.000 17.666 17.339 17.020 16.707 16.400 16.100 15.805 15.517 15.234 14.956 14.684 59.073 53.945 49.618 45.894 42.644 39.779 37.230 34.945 32.883 31.010 29.301 27.734 26.289 24.953 23.713 21.478 21.065 20.663 20.271 19.888 19.514 19.149 18.793 18.444 18.104 17.771 17.445 17.126 16.814 16.508 16.208 15.915 15.627 15.345 15.069 14.797 59.262 54.108 49.766 46.031 42.773 39.901 37.347 35.058 32.992 31.116 29.405 27.835 26.389 25.052 23.811 21.575 21.162 20.760 20.368 19.985 19.612 19.247 18.891 18.543 18.203 17.870 17.545 17.226 16.914 16.609 16.310 16.017 15.730 15.449 15.173 14.902 99999.999 54.272 49.915 46.169 42.902 40.024 37.464 35.170 33.100 31.222 29.507 27.936 26.488 25.149 23.907 21.670 21.257 20.855 20.463 20.080 19.707 19.342 18.986 18.638 18.298 17.965 17.640 17.322 17.010 16.705 16.407 16.114 15.827 15.546 15.271 15.000 argentite Ag2S P-T:All Wt.(g/mol) = 247.800 V(cc/mol) = 34.800 D(g/cc) = 7.121 Ref: Bess05 3 -1.000 1 2.000 18 1.000 6 -39.671 -36.038 -33.009 -30.446 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -39.671 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-26.225 -24.575 -23.132 -21.864 -20.749 -19.766 -18.901 -18.141 -17.477 -16.908 -15.969 -15.827 -15.700 -15.590 -15.496 -15.420 -15.365 -15.333 -15.324 -15.341 -15.384 -15.451 -15.539 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -39.443 -35.865 -32.859 -30.304 -28.113 -26.217 -24.566 -23.122 -21.852 -20.735 -19.750 -18.881 -18.116 -17.445 -16.864 -15.915 -15.767 -15.633 -15.514 -15.409 -15.320 -15.249 -15.195 -15.161 -15.146 -15.153 -15.179 -15.224 -15.284 -15.356 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -39.432 -35.856 -32.851 -30.297 -28.105 -26.209 -24.557 -23.111 -21.841 -20.721 -19.733 -18.861 -18.092 -17.415 -16.825 -15.865 -15.712 -15.572 -15.445 -15.332 -15.233 -15.149 -15.080 -15.028 -14.992 -14.973 -14.970 -14.983 -15.010 -15.049 -15.097 99999.999 99999.999 99999.999 99999.999 99999.999 -39.421 -35.848 -32.843 -30.289 -28.098 -26.201 -24.548 -23.101 -21.829 -20.708 -19.718 -18.842 -18.069 -17.387 -16.789 -15.819 -15.661 -15.516 -15.383 -15.263 -15.156 -15.062 -14.981 -14.915 -14.863 -14.826 -14.802 -14.792 -14.795 -14.808 -14.830 -14.858 -14.890 99999.999 99999.999 99999.999 -39.411 -35.840 -32.836 -30.282 -28.090 -26.193 -24.540 -23.092 -21.818 -20.695 -19.702 -18.824 -18.048 -17.361 -16.758 -15.775 -15.614 -15.464 -15.326 -15.200 -15.086 -14.984 -14.894 -14.817 -14.753 -14.701 -14.662 -14.635 -14.619 -14.612 -14.614 -14.623 -14.636 -14.651 99999.999 99999.999 -39.401 -35.832 -32.828 -30.275 -28.083 -26.185 -24.532 -23.082 -21.807 -20.682 -19.688 -18.807 -18.027 -17.337 -16.728 -15.734 -15.569 -15.415 -15.273 -15.142 -15.022 -14.913 -14.816 -14.730 -14.656 -14.594 -14.542 -14.501 -14.470 -14.449 -14.435 -14.428 -14.426 -14.427 -14.429 -14.431 -39.391 -35.824 -32.821 -30.268 -28.076 -26.178 -24.523 -23.073 -21.797 -20.670 -19.673 -18.790 -18.007 -17.314 -16.701 -15.695 -15.527 -15.370 -15.223 -15.087 -14.962 -14.848 -14.745 -14.652 -14.570 -14.498 -14.437 -14.385 -14.343 -14.309 -14.283 -14.263 -14.248 -14.237 -14.228 -14.221 -39.316 -35.760 -32.762 -30.209 -28.014 -26.112 -24.451 -22.991 -21.704 -20.563 -19.549 -18.645 -17.839 -17.119 -16.474 -15.386 -15.197 -15.017 -14.846 -14.684 -14.530 -14.384 -14.245 -14.115 -13.992 -13.876 -13.768 -13.666 -13.570 -13.481 -13.398 -13.320 -13.247 -13.180 -13.116 -13.057 -39.272 -35.717 -32.718 -30.163 -27.965 -26.058 -24.391 -22.925 -21.628 -20.476 -19.449 -18.531 -17.708 -16.969 -16.303 -15.164 -14.964 -14.772 -14.588 -14.411 -14.243 -14.081 -13.927 -13.780 -13.639 -13.505 -13.377 -13.255 -13.139 -13.029 -12.924 -12.824 -12.729 -12.639 -12.554 -12.473 -39.252 -35.690 -32.686 -30.128 -27.926 -26.015 -24.343 -22.870 -21.566 -20.405 -19.368 -18.438 -17.602 -16.848 -16.167 -14.992 -14.783 -14.583 -14.390 -14.205 -14.027 -13.856 -13.692 -13.534 -13.383 -13.237 -13.098 -12.964 -12.836 -12.713 -12.595 -12.482 -12.374 -12.271 -12.172 -12.078 -39.252 -35.676 -32.665 -30.102 -27.896 -25.980 -24.303 -22.824 -21.513 -20.345 -19.299 -18.360 -17.513 -16.748 -16.054 -14.852 -14.638 -14.431 -14.232 -14.040 -13.855 -13.677 -13.506 -13.341 -13.182 -13.029 -12.881 -12.739 -12.602 -12.471 -12.345 -12.223 -12.106 -11.994 -11.886 -11.782 -39.267 -35.673 -32.653 -30.083 -27.872 -25.951 -24.269 -22.786 -21.469 -20.294 -19.241 -18.294 -17.438 -16.664 -15.960 -14.735 -14.516 -14.305 -14.101 -13.904 -13.714 -13.530 -13.353 -13.183 -13.018 -12.859 -12.705 -12.557 -12.415 -12.277 -12.144 -12.016 -11.892 -11.773 -11.659 -11.548 -39.296 -35.679 -32.648 -30.071 -27.854 -25.928 -24.241 -22.753 -21.431 -20.251 -19.192 -18.237 -17.374 -16.591 -15.879 -14.636 -14.413 -14.197 -13.989 -13.788 -13.594 -13.407 -13.225 -13.050 -12.881 -12.717 -12.559 -12.406 -12.259 -12.116 -11.978 -11.845 -11.716 -11.592 -11.472 -11.357 -39.335 -35.692 -32.649 -30.064 -27.841 -25.910 -24.218 -22.725 -21.399 -20.213 -19.148 -18.188 -17.319 -16.529 -15.809 -14.550 -14.324 -14.105 -13.894 -13.689 -13.492 -13.301 -13.116 -12.937 -12.764 -12.597 -12.435 -12.278 -12.127 -11.980 -11.838 -11.701 -11.568 -11.440 -11.316 -11.196 99999.999 -35.712 -32.655 -30.062 -27.832 -25.896 -24.199 -22.702 -21.371 -20.180 -19.111 -18.145 -17.270 -16.474 -15.749 -14.476 -14.247 -14.025 -13.811 -13.603 -13.403 -13.209 -13.021 -12.839 -12.663 -12.492 -12.327 -12.168 -12.013 -11.863 -11.718 -11.578 -11.442 -11.310 -11.183 -11.060 argentite Ag2S P-T:All Wt.(g/mol) = 247.800 V(cc/mol) = 34.800 D(g/cc) = 7.121 Ref: Bess05 3 -2.000 31 2.000 18 1.000 4 112.428 102.279 93.431 85.667 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.428 102.279 93.431 85.667 78.793 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.430 102.281 93.432 85.669 78.795 72.650 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.434 102.285 93.436 85.672 78.798 72.653 67.109 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.441 102.291 93.442 85.678 78.803 72.658 67.115 62.067 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.451 102.301 93.451 85.686 78.811 72.667 67.123 62.076 57.439 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.468 102.316 93.464 85.699 78.824 72.679 67.136 62.090 57.454 53.149 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.491 102.337 93.484 85.718 78.842 72.697 67.154 62.109 57.474 53.172 49.127 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.523 102.365 93.511 85.744 78.867 72.722 67.179 62.135 57.502 53.204 49.165 45.302 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.566 102.404 93.547 85.778 78.900 72.755 67.213 62.170 57.540 53.246 49.216 45.368 41.598 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.621 102.454 93.594 85.822 78.944 72.798 67.256 62.215 57.588 53.301 49.280 45.451 41.719 37.904 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.692 102.518 93.653 85.879 78.999 72.853 67.312 62.273 57.650 53.369 49.361 45.554 41.864 38.149 33.935 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.747 102.568 93.700 85.923 79.042 72.895 67.354 62.317 57.697 53.421 49.422 45.630 41.969 38.316 34.336 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.825 102.638 93.765 85.986 79.102 72.955 67.415 62.379 57.764 53.494 49.506 45.735 42.110 38.530 34.756 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.903 102.708 93.831 86.048 79.162 73.014 67.475 62.441 57.829 53.566 49.588 45.835 42.242 38.721 35.090 25.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.979 102.778 93.895 86.109 79.222 73.072 67.533 62.502 57.893 53.635 49.667 45.931 42.365 38.895 35.373 28.159 25.696 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.055 102.846 93.959 86.170 79.280 73.130 67.592 62.561 57.955 53.703 49.744 46.022 42.481 39.055 35.621 28.974 27.261 25.196 22.565 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.130 102.914 94.022 86.230 79.339 73.187 67.649 62.620 58.017 53.770 49.819 46.110 42.590 39.201 35.842 29.461 27.985 26.365 24.520 22.356 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.204 102.981 94.085 86.290 79.396 73.244 67.706 62.678 58.078 53.835 49.891 46.194 42.694 39.337 36.039 29.816 28.457 27.024 25.482 23.784 21.887 19.773 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.277 103.048 94.147 86.349 79.453 73.300 67.762 62.735 58.137 53.899 49.962 46.275 42.792 39.463 36.218 30.101 28.812 27.482 26.091 24.616 23.030 21.311 19.452 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.350 103.114 94.209 86.407 79.510 73.355 67.817 62.792 58.196 53.962 50.031 46.354 42.886 39.581 36.379 30.341 29.100 27.835 26.534 25.185 23.769 22.273 20.686 19.005 17.244 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.422 103.179 94.270 86.465 79.565 73.410 67.872 62.847 58.254 54.023 50.098 46.430 42.975 39.691 36.526 30.551 29.344 28.125 26.885 25.614 24.304 22.944 21.524 20.040 18.493 16.893 15.257 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.494 103.244 94.330 86.522 79.621 73.465 67.926 62.902 58.311 54.083 50.163 46.503 43.060 39.794 36.660 30.737 29.558 28.373 27.176 25.961 24.721 23.449 22.139 20.785 19.387 17.946 16.471 14.974 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.564 103.309 94.390 86.579 79.676 73.518 67.979 62.957 58.367 54.143 50.227 46.574 43.141 39.891 36.782 30.907 29.749 28.590 27.426 26.252 25.062 23.853 22.619 21.356 20.061 18.736 17.383 16.008 14.622 13.236 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.635 103.372 94.450 86.636 79.730 73.572 68.032 63.010 58.422 54.201 50.290 46.643 43.219 39.982 36.895 31.062 29.922 28.785 27.646 26.503 25.352 24.189 23.010 21.812 20.593 19.352 18.090 16.811 15.521 14.226 12.936 99999.999 99999.999 99999.999 99999.999 99999.999 113.704 103.436 94.509 86.692 79.784 73.624 68.085 63.063 58.477 54.258 50.351 46.710 43.295 40.069 36.999 31.207 30.081 28.961 27.844 26.726 25.605 24.477 23.340 22.191 21.028 19.851 18.659 17.454 16.239 15.020 13.802 12.592 11.397 99999.999 99999.999 99999.999 113.773 103.499 94.567 86.747 79.838 73.677 68.137 63.116 58.531 54.315 50.412 46.776 43.367 40.151 37.096 31.341 30.229 29.124 28.024 26.927 25.829 24.730 23.626 22.515 21.396 20.267 19.129 17.981 16.827 15.670 14.513 13.361 12.220 11.094 99999.999 99999.999 113.842 103.561 94.625 86.803 79.891 73.729 68.188 63.168 58.584 54.370 50.471 46.840 43.438 40.231 37.187 31.468 30.367 29.274 28.189 27.109 26.032 24.956 23.878 22.798 21.713 20.623 19.527 18.426 17.320 16.213 15.106 14.003 12.909 11.827 10.761 9.716 113.910 103.623 94.683 86.857 79.943 73.780 68.239 63.219 58.637 54.425 50.529 46.902 43.506 40.307 37.274 31.588 30.496 29.415 28.343 27.277 26.217 25.160 24.104 23.049 21.992 20.933 19.871 18.807 17.741 16.675 15.610 14.548 13.494 12.451 11.420 10.407 114.561 104.218 95.239 87.384 80.449 74.272 68.725 63.706 59.132 54.936 51.065 47.472 44.120 40.977 38.016 32.543 31.509 30.492 29.491 28.506 27.534 26.576 25.629 24.694 23.770 22.856 21.951 21.055 20.167 19.288 18.417 17.555 16.700 15.854 15.016 14.188 115.169 104.777 95.761 87.878 80.923 74.731 69.176 64.154 59.583 55.396 51.539 47.967 44.642 41.533 38.614 33.253 32.247 31.260 30.291 29.341 28.406 27.488 26.585 25.695 24.820 23.957 23.107 22.268 21.441 20.625 19.819 19.023 18.238 17.462 16.695 15.938 115.743 105.307 96.256 88.347 81.371 75.165 69.599 64.572 60.000 55.817 51.969 48.411 45.104 42.017 39.125 33.834 32.845 31.876 30.927 29.996 29.083 28.187 27.308 26.444 25.594 24.759 23.937 23.129 22.333 21.549 20.776 20.015 19.264 18.524 17.794 17.074 116.290 105.813 96.730 88.795 81.799 75.577 70.001 64.966 60.392 56.210 52.367 48.817 45.522 42.451 39.577 34.334 33.357 32.400 31.463 30.546 29.647 28.766 27.901 27.053 26.220 25.402 24.599 23.809 23.032 22.267 21.515 20.775 20.046 19.327 18.620 17.922 116.815 106.299 97.185 89.225 82.209 75.972 70.384 65.342 60.763 56.580 52.739 49.194 45.907 42.847 39.987 34.778 33.808 32.860 31.932 31.024 30.135 29.264 28.410 27.573 26.752 25.945 25.154 24.377 23.613 22.862 22.124 21.397 20.682 19.979 19.286 18.604 117.322 106.770 97.625 89.640 82.605 76.353 70.753 65.702 61.117 56.932 53.090 49.548 46.266 43.214 40.363 35.180 34.216 33.274 32.353 31.451 30.569 29.705 28.859 28.030 27.217 26.419 25.637 24.868 24.114 23.373 22.644 21.928 21.223 20.530 19.848 19.176 117.815 107.227 98.052 90.043 82.989 76.722 71.109 66.049 61.458 57.268 53.425 49.883 46.605 43.557 40.713 35.549 34.589 33.652 32.735 31.839 30.962 30.104 29.264 28.440 27.633 26.842 26.066 25.304 24.557 23.822 23.101 22.392 21.695 21.009 20.335 19.671 99999.999 107.673 98.468 90.435 83.362 77.079 71.455 66.385 61.786 57.592 53.746 50.203 46.926 43.881 41.042 35.891 34.935 34.001 33.089 32.196 31.323 30.469 29.633 28.815 28.012 27.226 26.454 25.698 24.955 24.226 23.510 22.807 22.115 21.435 20.767 20.109 arsenic As P-T:All Wt.(g/mol) = 74.920 V(cc/mol) = 12.960 D(g/cc) = 5.781 Ref: Bess05 5 -1.500 2 -0.375 4 0.625 1 1.000 25 0.375 6 -10.041 -9.191 -8.431 -7.759 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.041 -9.191 -8.431 -7.759 -7.165 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.042 -9.191 -8.431 -7.759 -7.165 -6.638 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.042 -9.192 -8.432 -7.760 -7.166 -6.638 -6.168 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.043 -9.192 -8.432 -7.760 -7.166 -6.639 -6.169 -5.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.043 -9.194 -8.434 -7.762 -7.167 -6.640 -6.170 -5.750 -5.374 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.045 -9.195 -8.435 -7.763 -7.169 -6.641 -6.171 -5.751 -5.375 -5.039 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.047 -9.198 -8.438 -7.766 -7.171 -6.643 -6.173 -5.752 -5.376 -5.040 -4.741 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.050 -9.201 -8.441 -7.769 -7.174 -6.646 -6.175 -5.754 -5.377 -5.041 -4.741 -4.480 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.053 -9.206 -8.446 -7.773 -7.178 -6.649 -6.178 -5.757 -5.379 -5.042 -4.741 -4.478 -4.257 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.058 -9.212 -8.452 -7.779 -7.183 -6.654 -6.182 -5.760 -5.382 -5.043 -4.741 -4.475 -4.250 -4.083 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.064 -9.219 -8.459 -7.786 -7.190 -6.660 -6.187 -5.764 -5.385 -5.045 -4.741 -4.473 -4.242 -4.061 -3.994 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.068 -9.225 -8.465 -7.792 -7.195 -6.664 -6.191 -5.767 -5.387 -5.046 -4.741 -4.471 -4.237 -4.048 -3.940 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.075 -9.233 -8.473 -7.799 -7.202 -6.670 -6.196 -5.771 -5.390 -5.048 -4.741 -4.469 -4.231 -4.034 -3.896 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.081 -9.240 -8.481 -7.807 -7.208 -6.676 -6.201 -5.776 -5.393 -5.050 -4.742 -4.467 -4.226 -4.022 -3.866 -4.461 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.087 -9.248 -8.489 -7.814 -7.215 -6.682 -6.206 -5.780 -5.397 -5.052 -4.742 -4.465 -4.221 -4.012 -3.844 -3.884 -4.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.093 -9.256 -8.496 -7.821 -7.221 -6.688 -6.211 -5.784 -5.400 -5.054 -4.743 -4.464 -4.217 -4.003 -3.827 -3.723 -3.793 -3.938 -4.180 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.099 -9.263 -8.503 -7.828 -7.228 -6.694 -6.216 -5.788 -5.403 -5.056 -4.743 -4.463 -4.214 -3.996 -3.813 -3.637 -3.655 -3.709 -3.811 -3.970 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.105 -9.270 -8.511 -7.835 -7.234 -6.699 -6.221 -5.792 -5.406 -5.057 -4.744 -4.462 -4.210 -3.990 -3.801 -3.581 -3.573 -3.588 -3.629 -3.705 -3.817 -3.961 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.111 -9.277 -8.518 -7.841 -7.240 -6.704 -6.225 -5.795 -5.408 -5.059 -4.744 -4.461 -4.207 -3.984 -3.791 -3.539 -3.517 -3.509 -3.520 -3.553 -3.610 -3.693 -3.798 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.116 -9.284 -8.524 -7.848 -7.246 -6.709 -6.230 -5.799 -5.411 -5.061 -4.745 -4.460 -4.205 -3.978 -3.782 -3.506 -3.474 -3.453 -3.445 -3.453 -3.478 -3.522 -3.584 -3.664 -3.755 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.122 -9.290 -8.531 -7.854 -7.251 -6.715 -6.234 -5.803 -5.414 -5.063 -4.746 -4.459 -4.202 -3.974 -3.773 -3.479 -3.440 -3.410 -3.390 -3.382 -3.386 -3.405 -3.438 -3.486 -3.547 -3.617 -3.693 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.127 -9.297 -8.538 -7.860 -7.257 -6.719 -6.238 -5.806 -5.417 -5.065 -4.746 -4.459 -4.200 -3.969 -3.766 -3.456 -3.412 -3.375 -3.347 -3.327 -3.318 -3.320 -3.333 -3.358 -3.395 -3.441 -3.495 -3.555 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.133 -9.303 -8.544 -7.866 -7.262 -6.724 -6.242 -5.809 -5.419 -5.066 -4.747 -4.458 -4.198 -3.965 -3.759 -3.437 -3.388 -3.346 -3.311 -3.284 -3.265 -3.254 -3.253 -3.262 -3.281 -3.309 -3.344 -3.386 -3.432 -3.481 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.138 -9.310 -8.550 -7.872 -7.268 -6.729 -6.246 -5.813 -5.422 -5.068 -4.748 -4.458 -4.196 -3.961 -3.752 -3.420 -3.368 -3.322 -3.282 -3.248 -3.221 -3.202 -3.191 -3.188 -3.193 -3.206 -3.226 -3.253 -3.285 -3.321 -3.360 99999.999 99999.999 99999.999 99999.999 99999.999 -10.143 -9.316 -8.556 -7.878 -7.273 -6.734 -6.250 -5.816 -5.424 -5.069 -4.748 -4.457 -4.194 -3.957 -3.746 -3.405 -3.350 -3.300 -3.256 -3.218 -3.185 -3.159 -3.140 -3.128 -3.122 -3.124 -3.132 -3.147 -3.167 -3.191 -3.218 -3.248 -3.279 99999.999 99999.999 99999.999 -10.148 -9.322 -8.562 -7.883 -7.278 -6.738 -6.254 -5.819 -5.426 -5.071 -4.749 -4.457 -4.192 -3.954 -3.741 -3.391 -3.334 -3.282 -3.234 -3.192 -3.155 -3.123 -3.098 -3.078 -3.065 -3.057 -3.056 -3.060 -3.070 -3.084 -3.102 -3.122 -3.145 -3.169 99999.999 99999.999 -10.153 -9.328 -8.568 -7.889 -7.283 -6.742 -6.258 -5.822 -5.429 -5.073 -4.749 -4.456 -4.191 -3.951 -3.735 -3.379 -3.320 -3.265 -3.215 -3.169 -3.128 -3.092 -3.062 -3.036 -3.016 -3.002 -2.993 -2.989 -2.990 -2.995 -3.004 -3.016 -3.031 -3.048 -3.065 -3.084 -10.158 -9.334 -8.574 -7.894 -7.288 -6.747 -6.262 -5.825 -5.431 -5.074 -4.750 -4.456 -4.189 -3.947 -3.730 -3.368 -3.307 -3.250 -3.197 -3.149 -3.105 -3.065 -3.031 -3.001 -2.975 -2.955 -2.940 -2.929 -2.923 -2.920 -2.922 -2.927 -2.934 -2.944 -2.956 -2.968 -10.205 -9.387 -8.626 -7.942 -7.331 -6.784 -6.294 -5.851 -5.451 -5.087 -4.756 -4.453 -4.177 -3.924 -3.693 -3.290 -3.219 -3.150 -3.084 -3.021 -2.961 -2.903 -2.849 -2.796 -2.747 -2.700 -2.655 -2.613 -2.573 -2.536 -2.501 -2.468 -2.438 -2.409 -2.382 -2.357 -10.247 -9.433 -8.670 -7.982 -7.366 -6.815 -6.319 -5.871 -5.466 -5.097 -4.759 -4.451 -4.167 -3.907 -3.667 -3.243 -3.166 -3.092 -3.020 -2.951 -2.884 -2.819 -2.757 -2.697 -2.638 -2.582 -2.528 -2.476 -2.425 -2.376 -2.330 -2.284 -2.241 -2.199 -2.159 -2.120 -10.285 -9.473 -8.707 -8.016 -7.396 -6.840 -6.340 -5.888 -5.477 -5.103 -4.762 -4.448 -4.159 -3.893 -3.647 -3.208 -3.128 -3.051 -2.976 -2.903 -2.832 -2.763 -2.696 -2.631 -2.568 -2.507 -2.448 -2.391 -2.335 -2.281 -2.228 -2.177 -2.127 -2.079 -2.032 -1.986 -10.320 -9.509 -8.740 -8.045 -7.421 -6.861 -6.356 -5.900 -5.486 -5.108 -4.762 -4.444 -4.151 -3.881 -3.630 -3.180 -3.098 -3.018 -2.940 -2.865 -2.791 -2.720 -2.650 -2.582 -2.517 -2.452 -2.390 -2.329 -2.270 -2.212 -2.156 -2.101 -2.048 -1.996 -1.945 -1.896 -10.353 -9.541 -8.769 -8.070 -7.442 -6.878 -6.370 -5.910 -5.493 -5.111 -4.762 -4.440 -4.144 -3.869 -3.614 -3.157 -3.072 -2.991 -2.911 -2.833 -2.758 -2.684 -2.613 -2.543 -2.475 -2.409 -2.344 -2.281 -2.219 -2.159 -2.101 -2.044 -1.988 -1.933 -1.880 -1.828 -10.385 -9.570 -8.795 -8.092 -7.461 -6.893 -6.382 -5.918 -5.497 -5.113 -4.760 -4.436 -4.136 -3.858 -3.600 -3.135 -3.050 -2.966 -2.885 -2.806 -2.729 -2.654 -2.581 -2.509 -2.440 -2.372 -2.305 -2.241 -2.177 -2.116 -2.055 -1.996 -1.939 -1.882 -1.827 -1.774 -10.415 -9.598 -8.819 -8.112 -7.477 -6.906 -6.391 -5.925 -5.501 -5.113 -4.758 -4.431 -4.128 -3.847 -3.586 -3.116 -3.029 -2.945 -2.862 -2.782 -2.704 -2.627 -2.553 -2.480 -2.409 -2.340 -2.272 -2.206 -2.141 -2.078 -2.017 -1.956 -1.897 -1.840 -1.783 -1.728 99999.999 -9.623 -8.840 -8.130 -7.491 -6.917 -6.399 -5.930 -5.503 -5.113 -4.755 -4.425 -4.120 -3.837 -3.574 -3.098 -3.010 -2.925 -2.841 -2.760 -2.681 -2.603 -2.527 -2.454 -2.382 -2.311 -2.242 -2.175 -2.110 -2.045 -1.982 -1.921 -1.861 -1.802 -1.745 -1.688 arsenic As P-T:All Wt.(g/mol) = 74.920 V(cc/mol) = 12.960 D(g/cc) = 5.781 Ref: Bess05 4 1.000 1 -1.500 2 1.000 25 -0.750 31 46.996 42.678 38.984 35.783 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.996 42.678 38.984 35.783 32.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.996 42.678 38.984 35.784 32.979 30.494 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.997 42.679 38.985 35.784 32.979 30.494 28.272 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 46.998 42.680 38.986 35.785 32.980 30.495 28.273 26.267 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.000 42.682 38.987 35.787 32.982 30.497 28.275 26.269 24.442 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.004 42.684 38.990 35.789 32.984 30.499 28.277 26.272 24.445 22.765 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.008 42.688 38.993 35.793 32.987 30.503 28.281 26.276 24.450 22.770 21.207 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.015 42.694 38.998 35.797 32.992 30.508 28.286 26.282 24.456 22.778 21.217 19.742 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.023 42.701 39.005 35.804 32.998 30.514 28.293 26.289 24.465 22.789 21.230 19.760 18.338 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.035 42.710 39.013 35.812 33.007 30.523 28.302 26.299 24.476 22.802 21.247 19.783 18.374 16.948 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.050 42.722 39.024 35.822 33.017 30.534 28.314 26.312 24.491 22.819 21.268 19.811 18.416 17.028 15.456 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.061 42.732 39.033 35.831 33.026 30.542 28.323 26.322 24.501 22.831 21.284 19.832 18.446 17.080 15.612 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.078 42.746 39.046 35.843 33.037 30.554 28.336 26.335 24.517 22.849 21.306 19.860 18.486 17.145 15.758 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.094 42.760 39.058 35.855 33.049 30.567 28.348 26.349 24.532 22.867 21.327 19.887 18.523 17.201 15.864 11.542 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.111 42.774 39.071 35.867 33.061 30.579 28.361 26.363 24.548 22.884 21.347 19.913 18.557 17.251 15.951 12.923 11.826 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.127 42.787 39.084 35.879 33.073 30.591 28.374 26.377 24.563 22.901 21.367 19.937 18.589 17.297 16.024 13.319 12.599 11.709 10.582 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.144 42.802 39.096 35.891 33.085 30.603 28.387 26.390 24.577 22.918 21.387 19.961 18.619 17.338 16.087 13.540 12.942 12.272 11.496 10.586 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.161 42.816 39.109 35.904 33.098 30.615 28.399 26.404 24.592 22.934 21.406 19.984 18.648 17.377 16.144 13.693 13.154 12.578 11.948 11.247 10.462 9.600 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.178 42.830 39.122 35.916 33.110 30.628 28.412 26.417 24.606 22.951 21.424 20.006 18.675 17.413 16.194 13.811 13.307 12.781 12.226 11.630 10.983 10.282 9.530 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.194 42.844 39.135 35.928 33.122 30.640 28.425 26.430 24.621 22.966 21.442 20.027 18.701 17.446 16.241 13.907 13.426 12.933 12.421 11.885 11.318 10.716 10.075 9.401 8.701 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.211 42.858 39.148 35.941 33.134 30.652 28.437 26.444 24.635 22.982 21.460 20.048 18.726 17.478 16.283 13.988 13.524 13.053 12.570 12.072 11.555 11.015 10.448 9.855 9.238 8.605 7.963 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.228 42.872 39.161 35.953 33.146 30.664 28.450 26.457 24.649 22.998 21.477 20.068 18.750 17.508 16.322 14.059 13.607 13.152 12.690 12.219 11.735 11.236 10.719 10.183 9.628 9.057 8.475 7.888 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.245 42.887 39.174 35.965 33.158 30.677 28.462 26.470 24.663 23.013 21.494 20.087 18.773 17.536 16.359 14.121 13.680 13.237 12.791 12.339 11.879 11.409 10.927 10.431 9.922 9.399 8.866 8.326 7.782 7.241 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.262 42.901 39.187 35.978 33.170 30.689 28.475 26.483 24.677 23.028 21.511 20.106 18.796 17.563 16.392 14.178 13.745 13.312 12.878 12.440 11.998 11.550 11.093 10.627 10.151 9.666 9.171 8.670 8.164 7.657 7.153 99999.999 99999.999 99999.999 99999.999 99999.999 47.279 42.915 39.200 35.990 33.183 30.701 28.487 26.496 24.691 23.043 21.528 20.125 18.817 17.589 16.424 14.230 13.804 13.379 12.954 12.528 12.100 11.668 11.231 10.787 10.337 9.880 9.415 8.945 8.471 7.995 7.519 7.046 6.578 99999.999 99999.999 99999.999 47.296 42.930 39.214 36.003 33.195 30.713 28.500 26.509 24.705 23.058 21.544 20.143 18.838 17.613 16.454 14.278 13.857 13.439 13.022 12.606 12.188 11.769 11.347 10.921 10.491 10.056 9.615 9.171 8.722 8.272 7.821 7.372 6.926 6.486 99999.999 99999.999 47.312 42.944 39.227 36.015 33.207 30.725 28.512 26.522 24.718 23.072 21.560 20.161 18.859 17.637 16.483 14.322 13.906 13.494 13.084 12.675 12.267 11.858 11.449 11.037 10.622 10.204 9.783 9.359 8.932 8.503 8.074 7.645 7.219 6.797 6.381 5.972 47.329 42.959 39.240 36.028 33.219 30.738 28.524 26.534 24.732 23.087 21.576 20.179 18.879 17.660 16.510 14.364 13.952 13.544 13.140 12.738 12.337 11.938 11.538 11.137 10.735 10.332 9.926 9.518 9.109 8.698 8.288 7.877 7.469 7.064 6.663 6.267 47.499 43.105 39.374 36.155 33.343 30.860 28.647 26.660 24.863 23.225 21.725 20.341 19.058 17.862 16.741 14.683 14.296 13.916 13.542 13.175 12.813 12.456 12.104 11.757 11.414 11.075 10.739 10.407 10.078 9.752 9.430 9.110 8.793 8.479 8.167 7.860 47.669 43.252 39.509 36.283 33.466 30.981 28.769 26.783 24.988 23.356 21.861 20.486 19.214 18.031 16.927 14.913 14.538 14.170 13.809 13.456 13.109 12.769 12.435 12.107 11.784 11.466 11.154 10.846 10.542 10.243 9.949 9.658 9.372 9.089 8.810 8.534 47.838 43.401 39.646 36.412 33.591 31.102 28.889 26.903 25.110 23.480 21.990 20.620 19.355 18.181 17.087 15.101 14.732 14.371 14.018 13.673 13.335 13.003 12.679 12.360 12.048 11.741 11.440 11.144 10.853 10.568 10.286 10.010 9.737 9.469 9.205 8.946 48.008 43.550 39.783 36.541 33.715 31.223 29.007 27.021 25.228 23.600 22.113 20.747 19.487 18.319 17.232 15.264 14.900 14.543 14.195 13.855 13.522 13.196 12.878 12.565 12.259 11.959 11.665 11.376 11.093 10.815 10.541 10.273 10.009 9.749 9.494 9.243 48.178 43.699 39.920 36.671 33.838 31.343 29.125 27.137 25.344 23.717 22.231 20.868 19.611 18.447 17.366 15.411 15.049 14.696 14.351 14.015 13.685 13.364 13.049 12.740 12.439 12.143 11.853 11.569 11.291 11.018 10.750 10.486 10.228 9.974 9.724 9.479 48.347 43.848 40.057 36.800 33.962 31.462 29.241 27.252 25.458 23.831 22.346 20.984 19.729 18.569 17.491 15.546 15.186 14.835 14.493 14.159 13.832 13.513 13.201 12.896 12.597 12.304 12.018 11.737 11.462 11.193 10.928 10.668 10.414 10.163 9.918 9.676 48.516 43.997 40.194 36.928 34.085 31.581 29.357 27.365 25.570 23.942 22.457 21.096 19.843 18.685 17.610 15.671 15.313 14.964 14.624 14.291 13.967 13.650 13.340 13.036 12.740 12.450 12.166 11.888 11.615 11.348 11.086 10.829 10.577 10.329 10.086 9.847 99999.999 44.146 40.331 37.057 34.207 31.699 29.471 27.477 25.681 24.051 22.566 21.206 19.954 18.796 17.723 15.790 15.433 15.085 14.746 14.415 14.092 13.776 13.468 13.166 12.872 12.583 12.301 12.024 11.754 11.488 11.228 10.973 10.723 10.477 10.237 10.000 arsenolite As2O3 P-T:All Wt.(g/mol) = 197.810 V(cc/mol) = 51.120 D(g/cc) = 3.870 Ref: Bess05 3 2.000 1 -3.000 2 2.000 25 -21.408 -19.883 -18.573 -17.450 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.408 -19.883 -18.573 -17.450 -16.485 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-8.021 -7.969 -7.919 arsenopyrite FeAsS P-T:All Wt.(g/mol) = 162.830 V(cc/mol) = 26.420 D(g/cc) = 6.163 Ref: Bess05 6 -1.500 2 -0.375 1 -0.375 4 1.000 25 1.000 11 1.375 6 -18.347 -17.247 -16.340 -15.592 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -18.347 -17.247 -16.340 -15.592 -14.976 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -18.346 -17.247 -16.340 -15.592 -14.976 -14.472 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-17.310 -16.345 -15.518 -14.806 -14.193 -13.661 -13.198 -12.793 -12.439 -12.128 -11.856 -11.617 -11.410 -11.229 -10.939 -10.891 -10.847 -10.805 -10.766 -10.730 -10.697 -10.667 -10.639 -10.614 -10.592 -10.572 -10.555 -10.539 -10.527 -10.517 -10.509 -10.503 -10.500 -10.498 -10.500 -18.506 -17.357 -16.375 -15.534 -14.811 -14.187 -13.645 -13.171 -12.757 -12.392 -12.070 -11.786 -11.535 -11.314 -11.119 -10.801 -10.747 -10.697 -10.649 -10.604 -10.562 -10.523 -10.487 -10.453 -10.421 -10.393 -10.366 -10.342 -10.321 -10.302 -10.285 -10.270 -10.258 -10.248 -10.240 -10.234 99999.999 -17.408 -16.408 -15.554 -14.819 -14.185 -13.633 -13.150 -12.726 -12.351 -12.019 -11.724 -11.463 -11.230 -11.024 -10.680 -10.621 -10.565 -10.512 -10.462 -10.415 -10.371 -10.329 -10.290 -10.253 -10.219 -10.187 -10.158 -10.131 -10.106 -10.084 -10.064 -10.046 -10.030 -10.017 -10.005 arsenopyrite FeAsS P-T:All Wt.(g/mol) = 162.830 V(cc/mol) = 26.420 D(g/cc) = 6.163 Ref: Bess05 6 1.000 1 -1.500 2 1.000 4 1.000 25 1.000 11 -2.750 31 190.789 172.939 157.514 144.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 190.789 172.939 157.514 144.064 132.216 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 190.792 172.941 157.516 144.066 132.218 121.677 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 190.796 172.946 157.520 144.070 132.222 121.681 112.213 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 190.804 172.953 157.527 144.077 132.229 121.688 112.220 103.638 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 190.817 172.964 157.537 144.087 132.239 121.698 112.230 103.649 95.801 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 190.836 172.982 157.554 144.103 132.255 121.714 112.247 103.667 95.820 88.571 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 190.863 173.006 157.577 144.125 132.277 121.736 112.270 103.692 95.847 88.602 81.830 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 190.901 173.040 157.609 144.156 132.307 121.767 112.302 103.726 95.885 88.646 81.883 75.462 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 190.951 173.086 157.652 144.198 132.348 121.808 112.344 103.771 95.934 88.703 81.952 75.555 69.353 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 191.016 173.145 157.708 144.251 132.401 121.861 112.400 103.829 95.999 88.776 82.041 75.671 69.523 63.353 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 191.100 173.221 157.779 144.320 132.469 121.930 112.470 103.904 96.080 88.869 82.152 75.815 69.726 63.688 57.098 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 191.164 173.280 157.835 144.374 132.521 121.983 112.525 103.962 96.142 88.939 82.236 75.921 69.874 63.919 57.605 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 191.257 173.364 157.914 144.450 132.596 122.058 112.602 104.043 96.231 89.038 82.353 76.068 70.074 64.220 58.167 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 191.348 173.447 157.992 144.525 132.670 122.132 112.678 104.123 96.317 89.134 82.465 76.208 70.261 64.492 58.630 45.500 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 191.439 173.530 158.070 144.600 132.744 122.205 112.753 104.202 96.402 89.228 82.574 76.342 70.435 64.739 59.031 48.278 45.090 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 191.529 173.612 158.147 144.674 132.816 122.278 112.827 104.279 96.485 89.320 82.680 76.470 70.600 64.967 59.385 49.165 46.732 43.943 40.524 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 191.619 173.694 158.223 144.748 132.888 122.350 112.901 104.356 96.566 89.410 82.782 76.592 70.755 65.177 59.702 49.728 47.537 45.208 42.649 39.738 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 191.708 173.775 158.299 144.821 132.960 122.421 112.973 104.431 96.647 89.498 82.882 76.710 70.902 65.371 59.988 50.156 48.087 45.954 43.716 41.318 38.701 35.826 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 191.796 173.855 158.375 144.893 133.030 122.492 113.045 104.506 96.726 89.584 82.979 76.823 71.040 65.551 60.245 50.509 48.516 46.492 44.415 42.258 39.987 37.572 34.995 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 191.884 173.935 158.450 144.965 133.101 122.562 113.116 104.579 96.804 89.668 83.073 76.933 71.172 65.719 60.478 50.814 48.874 46.921 44.942 42.920 40.837 38.673 36.411 34.045 31.583 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 191.971 174.014 158.524 145.036 133.170 122.631 113.186 104.652 96.880 89.751 83.165 77.038 71.298 65.875 60.689 51.083 49.183 47.282 45.369 43.434 41.466 39.453 37.382 35.244 33.040 30.776 28.470 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 192.057 174.093 158.598 145.107 133.239 122.700 113.256 104.724 96.956 89.832 83.254 77.140 71.417 66.021 60.880 51.328 49.459 47.595 45.731 43.858 41.969 40.054 38.106 36.118 34.086 32.012 29.904 27.774 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 192.143 174.171 158.672 145.177 133.308 122.768 113.324 104.795 97.030 89.912 83.342 77.238 71.531 66.158 61.054 51.551 49.708 47.875 46.048 44.222 42.389 40.544 38.682 36.796 34.883 32.944 30.979 28.998 27.009 25.027 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 192.228 174.249 158.745 145.247 133.376 122.835 113.393 104.865 97.104 89.991 83.428 77.334 71.640 66.286 61.213 51.759 49.936 48.129 46.332 44.541 42.752 40.960 39.160 37.348 35.521 33.678 31.821 29.951 28.077 26.205 24.347 99999.999 99999.999 99999.999 99999.999 99999.999 192.313 174.326 158.817 145.317 133.444 122.902 113.460 104.934 97.176 90.068 83.512 77.427 71.745 66.408 61.360 51.953 50.148 48.362 46.590 44.828 43.074 41.322 39.570 37.814 36.051 34.281 32.503 30.720 28.934 27.152 25.380 23.626 21.900 99999.999 99999.999 99999.999 192.397 174.403 158.889 145.386 133.511 122.969 113.527 105.003 97.248 90.144 83.594 77.517 71.846 66.523 61.495 52.135 50.346 48.578 46.827 45.089 43.363 41.644 39.930 38.218 36.505 34.791 33.075 31.358 29.642 27.931 26.229 24.543 22.880 21.245 99999.999 99999.999 192.480 174.479 158.961 145.454 133.577 123.034 113.593 105.070 97.319 90.219 83.675 77.605 71.944 66.634 61.623 52.307 50.532 48.780 47.046 45.330 43.627 41.935 40.252 38.575 36.902 35.232 33.565 31.901 30.241 28.587 26.943 25.314 23.704 22.118 20.562 19.041 192.564 174.555 159.032 145.522 133.644 123.100 113.659 105.138 97.389 90.293 83.754 77.692 72.040 66.740 61.744 52.471 50.708 48.969 47.252 45.553 43.870 42.201 40.544 38.896 37.256 35.623 33.995 32.373 30.758 29.152 27.556 25.973 24.409 22.866 21.349 19.862 193.369 175.292 159.723 146.182 134.283 123.729 114.288 105.776 98.048 90.983 84.486 78.479 72.894 67.678 62.784 53.799 52.112 50.456 48.830 47.232 45.661 44.115 42.592 41.092 39.612 38.153 36.712 35.290 33.885 32.498 31.127 29.773 28.435 27.114 25.811 24.524 194.133 175.993 160.381 146.808 134.888 124.321 114.875 106.367 98.649 91.604 85.135 79.163 73.623 68.460 63.628 54.803 53.155 51.540 49.959 48.409 46.888 45.396 43.930 42.490 41.074 39.682 38.312 36.964 35.636 34.328 33.039 31.769 30.516 29.282 28.064 26.863 194.864 176.666 161.011 147.408 135.466 124.884 115.430 106.920 99.208 92.175 85.724 79.776 74.267 69.140 64.351 55.632 54.008 52.420 50.866 49.344 47.854 46.393 44.961 43.555 42.176 40.822 39.491 38.184 36.898 35.634 34.389 33.165 31.959 30.771 29.601 28.449 195.569 177.314 161.619 147.985 136.020 125.423 115.959 107.445 99.734 92.707 86.268 80.338 74.850 69.750 64.991 56.347 54.741 53.170 51.635 50.133 48.663 47.224 45.814 44.432 43.076 41.747 40.442 39.161 37.902 36.665 35.450 34.254 33.078 31.921 30.782 29.661 196.254 177.944 162.208 148.543 136.556 125.942 116.467 107.946 100.233 93.209 86.778 80.859 75.387 70.307 65.571 56.983 55.389 53.832 52.310 50.822 49.367 47.943 46.549 45.183 43.845 42.533 41.246 39.983 38.744 37.526 36.331 35.156 34.001 32.865 31.747 30.648 196.922 178.557 162.780 149.086 137.075 126.444 116.957 108.428 100.711 93.687 87.260 81.349 75.888 70.822 66.104 57.558 55.973 54.426 52.915 51.438 49.994 48.582 47.199 45.846 44.520 43.221 41.947 40.698 39.473 38.270 37.089 35.929 34.789 33.668 32.566 31.483 197.575 179.157 163.339 149.614 137.580 126.932 117.431 108.893 101.171 94.145 87.719 81.813 76.360 71.304 66.599 58.085 56.508 54.969 53.466 51.998 50.562 49.158 47.785 46.441 45.125 43.836 42.572 41.334 40.119 38.927 37.757 36.608 35.479 34.370 33.280 32.208 99999.999 179.746 163.886 150.130 138.073 127.406 117.892 109.344 101.615 94.586 88.159 82.255 76.807 71.759 67.064 58.575 57.004 55.471 53.974 52.512 51.083 49.687 48.320 46.984 45.675 44.393 43.138 41.907 40.701 39.517 38.355 37.215 36.095 34.995 33.914 32.851 beidellite-Ca Ca.165Al2.33Si3.67O12H2 P-T:All Wt.(g/mol) = 366.610 V(cc/mol) = 129.530 D(g/cc) = 2.830 Ref: Wo92 5 0.165 9 2.330 8 3.670 7 -2.680 2 -7.320 1 7.644 4.950 2.451 0.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.644 4.950 2.451 0.230 -1.734 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.646 4.952 2.453 0.233 -1.732 -3.483 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.650 4.956 2.457 0.237 -1.727 -3.478 -5.061 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.655 4.963 2.465 0.244 -1.720 -3.471 -5.053 -6.506 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.664 4.974 2.476 0.256 -1.708 -3.458 -5.040 -6.492 -7.847 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.677 4.990 2.493 0.274 -1.690 -3.440 -5.021 -6.472 -7.825 -9.117 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.696 5.013 2.517 0.299 -1.664 -3.414 -4.993 -6.443 -7.794 -9.083 -10.349 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.722 5.044 2.551 0.333 -1.629 -3.378 -4.956 -6.403 -7.751 -9.035 -10.295 -11.571 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.754 5.085 2.594 0.377 -1.584 -3.331 -4.907 -6.350 -7.695 -8.972 -10.222 -11.484 -12.772 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.796 5.137 2.650 0.435 -1.525 -3.270 -4.843 -6.283 -7.622 -8.892 -10.130 -11.373 -12.642 -13.869 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.846 5.201 2.719 0.506 -1.451 -3.194 -4.763 -6.198 -7.531 -8.791 -10.014 -11.232 -12.473 -13.723 -14.605 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.883 5.250 2.771 0.561 -1.395 -3.136 -4.703 -6.134 -7.462 -8.715 -9.926 -11.127 -12.343 -13.584 -14.819 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.932 5.316 2.844 0.636 -1.318 -3.055 -4.619 -6.045 -7.365 -8.609 -9.804 -10.979 -12.159 -13.369 -14.730 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.978 5.379 2.913 0.709 -1.243 -2.978 -4.537 -5.958 -7.272 -8.506 -9.687 -10.838 -11.983 -13.149 -14.495 -1.686 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.020 5.439 2.979 0.778 -1.170 -2.903 -4.458 -5.875 -7.182 -8.407 -9.574 -10.703 -11.814 -12.933 -14.216 -9.857 -6.228 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.058 5.495 3.043 0.845 -1.101 -2.830 -4.382 -5.793 -7.095 -8.311 -9.465 -10.574 -11.653 -12.726 -13.928 -11.743 -10.394 -8.069 -4.711 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.093 5.549 3.104 0.910 -1.033 -2.760 -4.308 -5.715 -7.010 -8.218 -9.360 -10.450 -11.501 -12.530 -13.648 -12.541 -11.902 -10.824 -9.167 -6.937 99999.999 99999.999 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99999.999 99999.999 99999.999 8.200 5.735 3.321 1.144 -0.787 -2.502 -4.036 -5.425 -6.698 -7.877 -8.979 -10.011 -10.977 -11.877 -12.737 -13.367 -13.397 -13.353 -13.219 -12.978 -12.612 -12.109 -11.470 -10.710 -9.864 -8.975 -8.088 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.219 5.775 3.369 1.197 -0.731 -2.443 -3.974 -5.358 -6.626 -7.799 -8.892 -9.914 -10.866 -11.746 -12.567 -13.388 -13.468 -13.491 -13.446 -13.323 -13.109 -12.794 -12.370 -11.842 -11.220 -10.526 -9.787 -9.031 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.235 5.812 3.415 1.247 -0.677 -2.386 -3.913 -5.294 -6.556 -7.722 -8.808 -9.821 -10.762 -11.626 -12.419 -13.382 -13.497 -13.568 -13.586 -13.544 -13.433 -13.245 -12.973 -12.615 -12.173 -11.655 -11.076 -10.453 -9.802 -9.135 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.248 5.847 3.459 1.296 -0.626 -2.331 -3.855 -5.231 -6.488 -7.649 -8.728 -9.733 -10.664 -11.517 -12.291 -13.357 -13.498 -13.604 -13.667 -13.683 -13.646 -13.548 -13.384 -13.150 -12.845 -12.471 -12.034 -11.544 -11.011 -10.445 -9.853 99999.999 99999.999 99999.999 99999.999 99999.999 8.258 5.880 3.501 1.342 -0.575 -2.278 -3.798 -5.170 -6.422 -7.577 -8.650 -9.648 -10.571 -11.417 -12.179 -13.318 -13.479 -13.611 -13.708 -13.767 -13.782 -13.750 -13.665 -13.523 -13.322 -13.062 -12.743 -12.371 -11.950 -11.489 -10.992 -10.465 -9.909 99999.999 99999.999 99999.999 8.266 5.910 3.540 1.387 -0.527 -2.226 -3.743 -5.111 -6.359 -7.508 -8.575 -9.566 -10.483 -11.324 -12.080 -13.269 -13.446 -13.597 -13.720 -13.811 -13.867 -13.883 -13.857 -13.784 -13.663 -13.490 -13.266 -12.993 -12.672 -12.309 -11.905 -11.466 -10.994 -10.491 99999.999 99999.999 8.271 5.938 3.578 1.430 -0.481 -2.177 -3.690 -5.054 -6.297 -7.441 -8.502 -9.487 -10.400 -11.236 -11.991 -13.212 -13.401 -13.568 -13.711 -13.827 -13.913 -13.967 -13.985 -13.965 -13.905 -13.801 -13.653 -13.460 -13.224 -12.946 -12.629 -12.274 -11.884 -11.460 -11.004 -10.515 8.274 5.963 3.613 1.471 -0.436 -2.129 -3.639 -4.999 -6.237 -7.376 -8.431 -9.411 -10.319 -11.153 -11.908 -13.151 -13.349 -13.528 -13.686 -13.822 -13.932 -14.015 -14.068 -14.088 -14.075 -14.025 -13.937 -13.811 -13.645 -13.440 -13.198 -12.919 -12.605 -12.257 -11.877 -11.464 8.173 6.113 3.870 1.787 -0.078 -1.735 -3.211 -4.533 -5.728 -6.819 -7.823 -8.752 -9.612 -10.409 -11.144 -12.437 -12.668 -12.890 -13.103 -13.307 -13.502 -13.688 -13.864 -14.032 -14.189 -14.337 -14.474 -14.601 -14.716 -14.820 -14.912 -14.992 -15.059 -15.113 -15.153 -15.180 7.878 6.095 3.976 1.963 0.146 -1.472 -2.912 -4.199 -5.356 -6.404 -7.363 -8.245 -9.061 -9.815 -10.514 -11.760 -11.987 -12.207 -12.421 -12.629 -12.831 -13.027 -13.217 -13.403 -13.583 -13.758 -13.929 -14.095 -14.256 -14.412 -14.564 -14.712 -14.855 -14.994 -15.129 -15.260 7.429 5.943 3.960 2.027 0.264 -1.313 -2.716 -3.967 -5.088 -6.099 -7.017 -7.858 -8.630 -9.344 -10.004 -11.184 -11.400 -11.610 -11.814 -12.014 -12.208 -12.397 -12.582 -12.763 -12.940 -13.113 -13.283 -13.450 -13.614 -13.776 -13.934 -14.091 -14.246 -14.398 -14.550 -14.699 6.854 5.682 3.845 1.998 0.294 -1.238 -2.603 -3.819 -4.905 -5.880 -6.762 -7.564 -8.298 -8.973 -9.596 -10.707 -10.910 -11.108 -11.300 -11.487 -11.670 -11.849 -12.023 -12.194 -12.361 -12.525 -12.686 -12.845 -13.001 -13.155 -13.307 -13.458 -13.607 -13.755 -13.902 -14.048 6.177 5.331 3.648 1.892 0.251 -1.233 -2.558 -3.738 -4.791 -5.733 -6.580 -7.347 -8.045 -8.685 -9.272 -10.315 -10.506 -10.691 -10.871 -11.046 -11.217 -11.384 -11.547 -11.706 -11.862 -12.015 -12.165 -12.313 -12.458 -12.602 -12.744 -12.884 -13.023 -13.162 -13.299 -13.436 5.413 4.904 3.380 1.721 0.146 -1.287 -2.571 -3.715 -4.734 -5.644 -6.459 -7.194 -7.859 -8.464 -9.019 -9.998 -10.176 -10.349 -10.517 -10.681 -10.840 -10.995 -11.146 -11.294 -11.439 -11.580 -11.719 -11.856 -11.991 -12.123 -12.254 -12.383 -12.512 -12.639 -12.765 -12.891 4.577 4.412 3.053 1.494 -0.012 -1.392 -2.633 -3.741 -4.726 -5.605 -6.390 -7.093 -7.727 -8.302 -8.825 -9.744 -9.911 -10.072 -10.229 -10.381 -10.529 -10.673 -10.813 -10.950 -11.084 -11.214 -11.343 -11.469 -11.593 -11.714 -11.835 -11.954 -12.071 -12.188 -12.304 -12.419 99999.999 3.865 2.675 1.218 -0.216 -1.542 -2.739 -3.808 -4.761 -5.608 -6.363 -7.038 -7.643 -8.188 -8.683 -9.545 -9.700 -9.851 -9.996 -10.138 -10.275 -10.409 -10.538 -10.665 -10.789 -10.909 -11.027 -11.143 -11.257 -11.369 -11.480 -11.588 -11.696 -11.803 -11.909 -12.014 beidellite-H H.33Al2.33Si3.67O12H2 P-T:All Wt.(g/mol) = 360.330 V(cc/mol) = 130.700 D(g/cc) = 2.757 Ref: Wo92 4 2.330 8 3.670 7 -2.680 2 -6.990 1 6.564 3.992 1.599 -0.530 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.564 3.992 1.599 -0.530 -2.413 99999.999 99999.999 99999.999 99999.999 99999.999 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-10.668 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.639 4.084 1.697 -0.429 -2.310 -3.986 -5.498 -6.885 -8.177 -9.407 -10.615 -11.839 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.670 4.124 1.739 -0.385 -2.265 -3.939 -5.450 -6.833 -8.121 -9.346 -10.544 -11.754 -12.990 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.710 4.175 1.794 -0.329 -2.207 -3.880 -5.387 -6.767 -8.050 -9.267 -10.453 -11.645 -12.863 -14.038 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.759 4.238 1.862 -0.258 -2.134 -3.805 -5.309 -6.684 -7.960 -9.168 -10.340 -11.508 -12.698 -13.897 -14.731 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.795 4.286 1.914 -0.205 -2.080 -3.748 -5.250 -6.621 -7.893 -9.093 -10.254 -11.405 -12.571 -13.762 -14.942 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.843 4.350 1.985 -0.131 -2.003 -3.669 -5.167 -6.533 -7.798 -8.989 -10.135 -11.261 -12.392 -13.552 -14.858 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.887 4.412 2.053 -0.059 -1.929 -3.592 -5.086 -6.448 -7.706 -8.889 -10.020 -11.123 -12.220 -13.338 -14.631 -2.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.927 4.471 2.118 0.009 -1.858 -3.518 -5.009 -6.366 -7.618 -8.791 -9.909 -10.991 -12.055 -13.128 -14.359 -10.060 -6.495 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.964 4.526 2.180 0.075 -1.790 -3.447 -4.934 -6.286 -7.532 -8.697 -9.802 -10.864 -11.898 -12.926 -14.079 -11.907 -10.577 -8.291 -4.987 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.997 4.578 2.240 0.139 -1.723 -3.378 -4.861 -6.209 -7.449 -8.606 -9.700 -10.744 -11.750 -12.735 -13.807 -12.689 -12.055 -10.992 -9.360 -7.164 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.027 4.628 2.297 0.200 -1.660 -3.311 -4.791 -6.134 -7.369 -8.519 -9.601 -10.629 -11.610 -12.557 -13.552 -13.093 -12.771 -12.215 -11.349 -10.115 -8.535 -6.768 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.054 4.675 2.352 0.258 -1.598 -3.247 -4.723 -6.062 -7.291 -8.434 -9.506 -10.519 -11.478 -12.391 -13.318 -13.316 -13.165 -12.867 -12.381 -11.667 -10.700 -9.505 -8.169 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.078 4.719 2.404 0.315 -1.539 -3.184 -4.658 -5.992 -7.216 -8.351 -9.414 -10.414 -11.354 -12.238 -13.107 -13.439 -13.392 -13.245 -12.974 -12.552 -11.957 -11.181 -10.245 -9.200 -8.121 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.099 4.760 2.453 0.369 -1.482 -3.124 -4.594 -5.924 -7.143 -8.272 -9.326 -10.314 -11.238 -12.099 -12.920 -13.501 -13.523 -13.473 -13.334 -13.090 -12.725 -12.225 -11.591 -10.838 -9.999 -9.118 -8.237 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.116 4.799 2.501 0.420 -1.427 -3.066 -4.533 -5.858 -7.072 -8.195 -9.241 -10.219 -11.130 -11.971 -12.754 -13.522 -13.593 -13.608 -13.558 -13.430 -13.213 -12.897 -12.475 -11.949 -11.331 -10.643 -9.910 -9.158 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.131 4.835 2.546 0.470 -1.373 -3.010 -4.473 -5.795 -7.003 -8.120 -9.159 -10.128 -11.028 -11.854 -12.610 -13.517 -13.622 -13.684 -13.695 -13.647 -13.532 -13.340 -13.067 -12.708 -12.268 -11.752 -11.177 -10.558 -9.910 -9.247 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.143 4.869 2.589 0.518 -1.322 -2.956 -4.415 -5.733 -6.937 -8.048 -9.081 -10.042 -10.932 -11.747 -12.485 -13.493 -13.624 -13.720 -13.775 -13.784 -13.740 -13.638 -13.470 -13.234 -12.928 -12.555 -12.119 -11.631 -11.100 -10.537 -9.948 99999.999 99999.999 99999.999 99999.999 99999.999 7.152 4.901 2.629 0.564 -1.273 -2.904 -4.360 -5.674 -6.872 -7.978 -9.004 -9.958 -10.841 -11.649 -12.376 -13.455 -13.606 -13.728 -13.816 -13.867 -13.875 -13.837 -13.747 -13.601 -13.397 -13.135 -12.816 -12.444 -12.024 -11.565 -11.070 -10.545 -9.993 99999.999 99999.999 99999.999 7.159 4.930 2.668 0.607 -1.226 -2.853 -4.306 -5.616 -6.810 -7.910 -8.930 -9.879 -10.756 -11.558 -12.280 -13.407 -13.574 -13.715 -13.828 -13.911 -13.959 -13.968 -13.936 -13.858 -13.732 -13.556 -13.330 -13.055 -12.734 -12.371 -11.968 -11.531 -11.061 -10.561 99999.999 99999.999 7.163 4.957 2.705 0.649 -1.180 -2.804 -4.254 -5.560 -6.749 -7.844 -8.859 -9.802 -10.674 -11.473 -12.193 -13.353 -13.531 -13.687 -13.820 -13.927 -14.005 -14.051 -14.062 -14.036 -13.970 -13.862 -13.710 -13.515 -13.277 -12.998 -12.680 -12.326 -11.937 -11.515 -11.061 -10.575 7.165 4.982 2.739 0.689 -1.136 -2.757 -4.203 -5.505 -6.690 -7.780 -8.790 -9.727 -10.595 -11.391 -12.112 -13.292 -13.480 -13.649 -13.797 -13.923 -14.024 -14.098 -14.144 -14.158 -14.138 -14.083 -13.990 -13.860 -13.691 -13.484 -13.240 -12.960 -12.646 -12.299 -11.920 -11.509 7.057 5.124 2.990 1.000 -0.785 -2.371 -3.783 -5.048 -6.192 -7.235 -8.194 -9.082 -9.904 -10.665 -11.366 -12.597 -12.817 -13.027 -13.230 -13.423 -13.608 -13.784 -13.951 -14.109 -14.258 -14.396 -14.525 -14.644 -14.751 -14.847 -14.932 -15.005 -15.065 -15.112 -15.146 -15.167 6.757 5.102 3.091 1.171 -0.565 -2.113 -3.491 -4.720 -5.826 -6.828 -7.744 -8.586 -9.364 -10.084 -10.750 -11.937 -12.153 -12.362 -12.566 -12.763 -12.955 -13.141 -13.322 -13.498 -13.669 -13.835 -13.997 -14.154 -14.306 -14.454 -14.598 -14.738 -14.873 -15.004 -15.131 -15.254 6.306 4.948 3.073 1.232 -0.451 -1.958 -3.299 -4.494 -5.564 -6.529 -7.406 -8.207 -8.944 -9.624 -10.253 -11.375 -11.581 -11.780 -11.975 -12.164 -12.348 -12.528 -12.704 -12.875 -13.043 -13.208 -13.369 -13.527 -13.683 -13.836 -13.987 -14.135 -14.282 -14.427 -14.570 -14.712 5.732 4.686 2.957 1.201 -0.424 -1.885 -3.188 -4.349 -5.386 -6.316 -7.156 -7.921 -8.620 -9.262 -9.854 -10.910 -11.103 -11.291 -11.473 -11.651 -11.825 -11.994 -12.159 -12.321 -12.480 -12.635 -12.788 -12.939 -13.087 -13.233 -13.377 -13.520 -13.661 -13.802 -13.941 -14.080 5.056 4.336 2.759 1.095 -0.468 -1.882 -3.146 -4.271 -5.275 -6.172 -6.979 -7.709 -8.373 -8.981 -9.539 -10.529 -10.709 -10.885 -11.056 -11.222 -11.383 -11.541 -11.695 -11.846 -11.994 -12.139 -12.281 -12.421 -12.559 -12.694 -12.829 -12.962 -13.094 -13.224 -13.355 -13.484 4.295 3.910 2.493 0.924 -0.573 -1.937 -3.160 -4.250 -5.221 -6.087 -6.862 -7.560 -8.192 -8.767 -9.292 -10.220 -10.389 -10.552 -10.711 -10.866 -11.016 -11.163 -11.306 -11.445 -11.582 -11.716 -11.847 -11.976 -12.103 -12.229 -12.352 -12.475 -12.596 -12.716 -12.836 -12.955 3.463 3.421 2.167 0.697 -0.730 -2.042 -3.223 -4.277 -5.215 -6.050 -6.795 -7.463 -8.065 -8.609 -9.104 -9.973 -10.130 -10.283 -10.431 -10.574 -10.714 -10.849 -10.982 -11.111 -11.237 -11.360 -11.481 -11.600 -11.716 -11.831 -11.945 -12.057 -12.168 -12.278 -12.387 -12.496 99999.999 2.876 1.791 0.423 -0.933 -2.191 -3.328 -4.345 -5.250 -6.055 -6.771 -7.410 -7.984 -8.499 -8.966 -9.780 -9.926 -10.068 -10.205 -10.338 -10.467 -10.593 -10.715 -10.834 -10.950 -11.064 -11.175 -11.284 -11.390 -11.496 -11.599 -11.702 -11.803 -11.903 -12.003 -12.102 beidellite-K K.33Al2.33Si3.67O12H2 P-T:All Wt.(g/mol) = 372.900 V(cc/mol) = 133.730 D(g/cc) = 2.788 Ref: Wo92 5 0.330 12 2.330 8 3.670 7 -2.680 2 -7.320 1 7.176 4.667 2.325 0.240 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.176 4.668 2.325 0.240 -1.606 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.178 4.670 2.328 0.242 -1.604 -3.251 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.181 4.674 2.332 0.247 -1.600 -3.247 -4.736 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.187 4.680 2.339 0.254 -1.592 -3.239 -4.728 -6.096 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.196 4.691 2.350 0.265 -1.580 -3.227 -4.715 -6.083 -7.361 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.209 4.707 2.367 0.283 -1.563 -3.209 -4.696 -6.063 -7.340 -8.560 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.227 4.729 2.391 0.307 -1.538 -3.183 -4.670 -6.034 -7.309 -8.526 -9.726 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.252 4.760 2.423 0.340 -1.504 -3.148 -4.633 -5.995 -7.267 -8.480 -9.673 -10.885 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.284 4.800 2.466 0.384 -1.459 -3.101 -4.584 -5.944 -7.211 -8.418 -9.602 -10.800 -12.027 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.324 4.851 2.520 0.441 -1.401 -3.042 -4.522 -5.878 -7.140 -8.339 -9.511 -10.691 -11.900 -13.070 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.373 4.914 2.588 0.511 -1.329 -2.967 -4.444 -5.795 -7.051 -8.240 -9.397 -10.553 -11.734 -12.927 -13.761 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.409 4.961 2.639 0.564 -1.274 -2.911 -4.385 -5.732 -6.983 -8.166 -9.311 -10.449 -11.606 -12.790 -13.970 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.457 5.025 2.710 0.638 -1.198 -2.832 -4.302 -5.644 -6.888 -8.061 -9.191 -10.305 -11.426 -12.579 -13.882 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.502 5.087 2.778 0.709 -1.125 -2.755 -4.222 -5.559 -6.797 -7.961 -9.076 -10.166 -11.253 -12.363 -13.653 -1.037 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.542 5.145 2.843 0.777 -1.054 -2.682 -4.145 -5.477 -6.708 -7.864 -8.965 -10.034 -11.087 -12.152 -13.379 -9.052 -5.483 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.579 5.200 2.905 0.842 -0.986 -2.611 -4.070 -5.398 -6.623 -7.770 -8.859 -9.907 -10.930 -11.949 -13.096 -10.901 -9.568 -7.278 -3.973 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.612 5.252 2.964 0.905 -0.920 -2.542 -3.998 -5.321 -6.540 -7.679 -8.756 -9.786 -10.781 -11.757 -12.822 -11.683 -11.046 -9.980 -8.345 -6.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.642 5.301 3.021 0.966 -0.857 -2.476 -3.928 -5.247 -6.460 -7.591 -8.657 -9.671 -10.640 -11.577 -12.565 -12.086 -11.762 -11.203 -10.334 -9.098 -7.517 -5.751 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.669 5.348 3.075 1.024 -0.795 -2.412 -3.861 -5.175 -6.382 -7.506 -8.562 -9.561 -10.508 -11.411 -12.330 -12.309 -12.155 -11.854 -11.366 -10.649 -9.681 -8.485 -7.149 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.693 5.391 3.126 1.080 -0.737 -2.350 -3.795 -5.105 -6.307 -7.424 -8.471 -9.456 -10.384 -11.257 -12.118 -12.431 -12.382 -12.232 -11.959 -11.534 -10.937 -10.160 -9.222 -8.177 -7.100 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.713 5.432 3.175 1.133 -0.680 -2.291 -3.732 -5.038 -6.235 -7.345 -8.383 -9.356 -10.267 -11.117 -11.929 -12.492 -12.512 -12.459 -12.318 -12.072 -11.704 -11.203 -10.567 -9.813 -8.974 -8.093 -7.214 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.731 5.471 3.222 1.185 -0.625 -2.233 -3.671 -4.972 -6.164 -7.268 -8.298 -9.261 -10.158 -10.988 -11.763 -12.513 -12.581 -12.594 -12.541 -12.411 -12.192 -11.873 -11.450 -10.923 -10.304 -9.615 -8.882 -8.132 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.745 5.506 3.267 1.234 -0.573 -2.177 -3.612 -4.909 -6.096 -7.193 -8.216 -9.170 -10.056 -10.871 -11.618 -12.507 -12.610 -12.669 -12.678 -12.627 -12.510 -12.316 -12.041 -11.681 -11.239 -10.723 -10.147 -9.527 -8.880 -8.218 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.757 5.540 3.309 1.281 -0.522 -2.124 -3.555 -4.848 -6.030 -7.121 -8.137 -9.083 -9.960 -10.764 -11.492 -12.483 -12.611 -12.704 -12.757 -12.764 -12.718 -12.613 -12.443 -12.206 -11.898 -11.523 -11.087 -10.598 -10.067 -9.504 -8.915 99999.999 99999.999 99999.999 99999.999 99999.999 7.766 5.571 3.349 1.326 -0.474 -2.072 -3.500 -4.789 -5.966 -7.052 -8.061 -9.000 -9.870 -10.666 -11.382 -12.444 -12.592 -12.711 -12.797 -12.845 -12.852 -12.811 -12.719 -12.572 -12.366 -12.103 -11.782 -11.409 -10.989 -10.529 -10.034 -9.508 -8.956 99999.999 99999.999 99999.999 7.772 5.599 3.387 1.369 -0.427 -2.022 -3.446 -4.731 -5.903 -6.984 -7.987 -8.920 -9.784 -10.575 -11.286 -12.396 -12.559 -12.698 -12.809 -12.889 -12.934 -12.942 -12.907 -12.828 -12.700 -12.523 -12.295 -12.019 -11.697 -11.333 -10.930 -10.492 -10.021 -9.520 99999.999 99999.999 7.776 5.626 3.423 1.410 -0.382 -1.974 -3.395 -4.676 -5.843 -6.919 -7.916 -8.843 -9.702 -10.489 -11.199 -12.341 -12.516 -12.670 -12.800 -12.904 -12.980 -13.024 -13.033 -13.005 -12.937 -12.827 -12.674 -12.478 -12.239 -11.959 -11.640 -11.284 -10.895 -10.472 -10.017 -9.531 7.777 5.650 3.457 1.450 -0.339 -1.927 -3.345 -4.622 -5.785 -6.855 -7.847 -8.769 -9.623 -10.407 -11.117 -12.280 -12.465 -12.631 -12.776 -12.899 -12.998 -13.070 -13.114 -13.126 -13.104 -13.047 -12.953 -12.821 -12.651 -12.443 -12.198 -11.917 -11.602 -11.254 -10.874 -10.462 7.661 5.785 3.700 1.753 0.006 -1.548 -2.931 -4.170 -5.290 -6.313 -7.255 -8.126 -8.933 -9.681 -10.371 -11.582 -11.798 -12.006 -12.205 -12.395 -12.577 -12.751 -12.915 -13.071 -13.217 -13.354 -13.480 -13.597 -13.702 -13.797 -13.880 -13.951 -14.009 -14.055 -14.088 -14.108 7.352 5.752 3.791 1.915 0.217 -1.297 -2.645 -3.848 -4.930 -5.911 -6.808 -7.634 -8.396 -9.102 -9.756 -10.921 -11.133 -11.339 -11.539 -11.734 -11.922 -12.105 -12.283 -12.456 -12.625 -12.788 -12.947 -13.102 -13.252 -13.398 -13.540 -13.678 -13.811 -13.941 -14.066 -14.187 6.887 5.586 3.762 1.966 0.322 -1.150 -2.460 -3.629 -4.675 -5.618 -6.475 -7.259 -7.980 -8.645 -9.261 -10.360 -10.562 -10.758 -10.948 -11.134 -11.315 -11.491 -11.663 -11.832 -11.997 -12.159 -12.317 -12.473 -12.626 -12.776 -12.925 -13.071 -13.216 -13.358 -13.500 -13.640 6.298 5.312 3.634 1.924 0.340 -1.086 -2.358 -3.491 -4.503 -5.411 -6.231 -6.977 -7.659 -8.287 -8.865 -9.897 -10.086 -10.269 -10.448 -10.622 -10.792 -10.957 -11.119 -11.278 -11.433 -11.585 -11.735 -11.883 -12.028 -12.171 -12.313 -12.453 -12.592 -12.730 -12.868 -13.004 5.606 4.947 3.424 1.806 0.285 -1.093 -2.324 -3.421 -4.399 -5.274 -6.060 -6.771 -7.418 -8.010 -8.553 -9.518 -9.694 -9.866 -10.032 -10.194 -10.352 -10.506 -10.656 -10.803 -10.948 -11.089 -11.228 -11.365 -11.499 -11.632 -11.764 -11.894 -12.023 -12.152 -12.279 -12.407 4.827 4.506 3.144 1.623 0.169 -1.158 -2.348 -3.409 -4.353 -5.195 -5.949 -6.628 -7.242 -7.800 -8.311 -9.213 -9.377 -9.536 -9.690 -9.840 -9.987 -10.129 -10.268 -10.404 -10.537 -10.667 -10.795 -10.921 -11.045 -11.167 -11.288 -11.407 -11.525 -11.643 -11.760 -11.876 3.976 4.001 2.805 1.385 0.001 -1.273 -2.421 -3.444 -4.355 -5.166 -5.889 -6.537 -7.120 -7.648 -8.128 -8.970 -9.122 -9.269 -9.413 -9.552 -9.687 -9.818 -9.946 -10.072 -10.194 -10.313 -10.431 -10.546 -10.659 -10.771 -10.881 -10.990 -11.098 -11.205 -11.311 -11.417 99999.999 3.440 2.414 1.098 -0.214 -1.433 -2.536 -3.522 -4.399 -5.178 -5.872 -6.491 -7.045 -7.544 -7.995 -8.780 -8.922 -9.058 -9.191 -9.319 -9.444 -9.565 -9.683 -9.798 -9.910 -10.019 -10.127 -10.232 -10.335 -10.437 -10.537 -10.637 -10.735 -10.832 -10.929 -11.025 beidellite-Mg Mg.165Al2.33Si3.67O12H2 P-T:All Wt.(g/mol) = 364.010 V(cc/mol) = 123.190 D(g/cc) = 2.955 Ref: Wo92 5 0.165 10 2.330 8 3.670 7 -2.680 2 -7.320 1 7.656 4.912 2.372 0.118 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.656 4.912 2.372 0.118 -1.874 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.657 4.914 2.374 0.120 -1.872 -3.647 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.660 4.918 2.379 0.124 -1.868 -3.642 -5.245 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.666 4.925 2.385 0.131 -1.860 -3.635 -5.237 -6.706 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.674 4.935 2.396 0.143 -1.849 -3.623 -5.224 -6.693 -8.063 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.686 4.950 2.412 0.159 -1.832 -3.605 -5.206 -6.673 -8.041 -9.346 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.703 4.971 2.435 0.183 -1.807 -3.580 -5.179 -6.645 -8.011 -9.312 -10.590 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.726 5.001 2.467 0.215 -1.774 -3.546 -5.143 -6.607 -7.969 -9.265 -10.536 -11.821 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.756 5.039 2.508 0.258 -1.730 -3.500 -5.096 -6.556 -7.914 -9.204 -10.465 -11.736 -13.033 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.793 5.087 2.560 0.312 -1.674 -3.442 -5.034 -6.491 -7.843 -9.126 -10.374 -11.626 -12.904 -14.137 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.839 5.147 2.625 0.380 -1.604 -3.369 -4.958 -6.409 -7.755 -9.027 -10.260 -11.488 -12.736 -13.993 -14.873 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.871 5.192 2.674 0.432 -1.551 -3.314 -4.900 -6.347 -7.687 -8.953 -10.174 -11.383 -12.607 -13.856 -15.093 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.915 5.253 2.742 0.503 -1.477 -3.237 -4.819 -6.260 -7.594 -8.849 -10.054 -11.238 -12.426 -13.642 -15.008 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.955 5.311 2.807 0.571 -1.406 -3.163 -4.740 -6.177 -7.503 -8.749 -9.939 -11.099 -12.251 -13.424 -14.776 -1.791 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.992 5.366 2.869 0.637 -1.338 -3.091 -4.665 -6.096 -7.416 -8.652 -9.828 -10.966 -12.084 -13.209 -14.498 -10.072 -6.392 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.024 5.417 2.928 0.700 -1.272 -3.022 -4.592 -6.018 -7.332 -8.559 -9.722 -10.839 -11.925 -13.003 -14.211 -11.986 -10.615 -8.256 -4.848 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.053 5.466 2.984 0.760 -1.208 -2.955 -4.521 -5.943 -7.250 -8.469 -9.619 -10.717 -11.775 -12.809 -13.932 -12.797 -12.146 -11.051 -9.369 -7.104 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.079 5.511 3.037 0.818 -1.147 -2.891 -4.453 -5.870 -7.171 -8.382 -9.521 -10.602 -11.633 -12.627 -13.671 -13.218 -12.889 -12.318 -11.427 -10.156 -8.528 -6.708 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.101 5.554 3.088 0.873 -1.089 -2.829 -4.388 -5.799 -7.095 -8.298 -9.426 -10.492 -11.500 -12.459 -13.432 -13.452 -13.300 -12.996 -12.497 -11.763 -10.768 -9.537 -8.161 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.121 5.594 3.137 0.926 -1.032 -2.770 -4.324 -5.731 -7.021 -8.217 -9.336 -10.387 -11.375 -12.304 -13.217 -13.582 -13.538 -13.390 -13.113 -12.681 -12.069 -11.271 -10.307 -9.233 -8.123 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.137 5.631 3.183 0.977 -0.978 -2.712 -4.263 -5.665 -6.949 -8.138 -9.248 -10.287 -11.259 -12.163 -13.025 -13.649 -13.676 -13.628 -13.488 -13.240 -12.866 -12.353 -11.701 -10.927 -10.064 -9.158 -8.254 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.150 5.666 3.226 1.025 -0.926 -2.657 -4.204 -5.601 -6.880 -8.062 -9.164 -10.192 -11.150 -12.034 -12.857 -13.674 -13.751 -13.771 -13.722 -13.594 -13.373 -13.050 -12.617 -12.077 -11.443 -10.735 -9.982 -9.210 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.160 5.698 3.268 1.072 -0.876 -2.603 -4.146 -5.540 -6.813 -7.989 -9.083 -10.102 -11.047 -11.916 -12.711 -13.671 -13.784 -13.852 -13.867 -13.821 -13.705 -13.511 -13.232 -12.865 -12.412 -11.884 -11.293 -10.656 -9.992 -9.311 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.167 5.728 3.307 1.116 -0.828 -2.552 -4.091 -5.480 -6.748 -7.918 -9.005 -10.016 -10.952 -11.809 -12.585 -13.649 -13.789 -13.892 -13.953 -13.966 -13.924 -13.821 -13.651 -13.410 -13.097 -12.715 -12.268 -11.767 -11.222 -10.644 -10.040 99999.999 99999.999 99999.999 99999.999 99999.999 8.172 5.755 3.344 1.158 -0.782 -2.502 -4.038 -5.423 -6.686 -7.849 -8.929 -9.933 -10.861 -11.710 -12.475 -13.613 -13.773 -13.902 -13.998 -14.054 -14.066 -14.030 -13.940 -13.792 -13.585 -13.317 -12.990 -12.609 -12.179 -11.707 -11.199 -10.660 -10.093 99999.999 99999.999 99999.999 8.174 5.780 3.379 1.199 -0.738 -2.455 -3.986 -5.367 -6.625 -7.783 -8.857 -9.854 -10.776 -11.620 -12.378 -13.566 -13.742 -13.892 -14.013 -14.102 -14.155 -14.168 -14.138 -14.060 -13.933 -13.755 -13.524 -13.243 -12.914 -12.542 -12.129 -11.680 -11.198 -10.684 99999.999 99999.999 8.173 5.803 3.412 1.237 -0.695 -2.409 -3.937 -5.313 -6.566 -7.719 -8.786 -9.778 -10.694 -11.534 -12.292 -13.512 -13.701 -13.866 -14.007 -14.121 -14.205 -14.256 -14.271 -14.247 -14.182 -14.073 -13.919 -13.721 -13.478 -13.192 -12.866 -12.503 -12.104 -11.671 -11.205 -10.705 8.170 5.824 3.442 1.274 -0.654 -2.364 -3.889 -5.261 -6.509 -7.656 -8.718 -9.704 -10.616 -11.453 -12.210 -13.453 -13.651 -13.829 -13.986 -14.119 -14.227 -14.308 -14.358 -14.375 -14.358 -14.304 -14.211 -14.079 -13.907 -13.696 -13.447 -13.160 -12.838 -12.482 -12.093 -11.671 8.011 5.921 3.652 1.548 -0.336 -2.008 -3.495 -4.827 -6.030 -7.127 -8.136 -9.069 -9.933 -10.731 -11.468 -12.760 -12.991 -13.212 -13.425 -13.628 -13.822 -14.007 -14.183 -14.349 -14.505 -14.651 -14.787 -14.912 -15.025 -15.127 -15.217 -15.294 -15.358 -15.409 -15.447 -15.470 7.658 5.851 3.711 1.680 -0.151 -1.782 -3.232 -4.525 -5.688 -6.741 -7.703 -8.588 -9.404 -10.160 -10.859 -12.103 -12.330 -12.549 -12.763 -12.970 -13.171 -13.366 -13.556 -13.740 -13.919 -14.093 -14.262 -14.427 -14.587 -14.742 -14.892 -15.039 -15.180 -15.318 -15.451 -15.580 7.149 5.647 3.648 1.700 -0.074 -1.660 -3.070 -4.326 -5.451 -6.464 -7.384 -8.225 -8.998 -9.711 -10.370 -11.547 -11.762 -11.971 -12.175 -12.373 -12.566 -12.754 -12.938 -13.118 -13.293 -13.466 -13.634 -13.800 -13.962 -14.122 -14.280 -14.435 -14.588 -14.740 -14.889 -15.037 6.516 5.334 3.485 1.628 -0.085 -1.623 -2.992 -4.211 -5.299 -6.275 -7.156 -7.957 -8.690 -9.363 -9.984 -11.089 -11.291 -11.488 -11.679 -11.865 -12.047 -12.224 -12.397 -12.566 -12.732 -12.894 -13.054 -13.211 -13.366 -13.518 -13.669 -13.818 -13.966 -14.112 -14.257 -14.402 5.779 4.930 3.240 1.478 -0.169 -1.655 -2.982 -4.163 -5.216 -6.157 -7.002 -7.767 -8.462 -9.098 -9.682 -10.718 -10.907 -11.091 -11.269 -11.443 -11.612 -11.777 -11.938 -12.095 -12.249 -12.401 -12.549 -12.695 -12.839 -12.981 -13.121 -13.259 -13.397 -13.533 -13.669 -13.804 4.956 4.450 2.925 1.263 -0.314 -1.748 -3.031 -4.173 -5.190 -6.097 -6.909 -7.640 -8.301 -8.902 -9.451 -10.421 -10.597 -10.768 -10.934 -11.096 -11.253 -11.406 -11.555 -11.701 -11.843 -11.983 -12.120 -12.255 -12.387 -12.518 -12.646 -12.774 -12.900 -13.025 -13.150 -13.274 4.060 3.905 2.550 0.991 -0.513 -1.891 -3.129 -4.232 -5.214 -6.088 -6.867 -7.566 -8.194 -8.763 -9.281 -10.188 -10.352 -10.511 -10.665 -10.815 -10.960 -11.102 -11.240 -11.374 -11.506 -11.634 -11.760 -11.884 -12.005 -12.125 -12.243 -12.359 -12.475 -12.589 -12.703 -12.816 99999.999 3.305 2.123 0.671 -0.758 -2.078 -3.270 -4.334 -5.280 -6.121 -6.869 -7.537 -8.135 -8.674 -9.161 -10.009 -10.162 -10.310 -10.453 -10.591 -10.726 -10.856 -10.984 -11.108 -11.228 -11.346 -11.462 -11.575 -11.686 -11.796 -11.904 -12.010 -12.115 -12.219 -12.323 -12.426 beidellite-Na Na.33Al2.33Si3.67O12H2 P-T:All Wt.(g/mol) = 367.540 V(cc/mol) = 130.540 D(g/cc) = 2.816 Ref: Wo92 5 0.330 13 2.330 8 3.670 7 -2.680 2 -7.320 1 7.598 5.006 2.598 0.460 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.598 5.006 2.598 0.460 -1.428 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.599 5.008 2.600 0.462 -1.426 -3.107 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.603 5.012 2.604 0.467 -1.421 -3.102 -4.619 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.608 5.019 2.612 0.474 -1.414 -3.095 -4.611 -6.001 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.617 5.029 2.623 0.486 -1.402 -3.083 -4.598 -5.988 -7.284 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.630 5.045 2.640 0.503 -1.385 -3.064 -4.579 -5.968 -7.262 -8.498 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.649 5.068 2.663 0.527 -1.360 -3.039 -4.552 -5.939 -7.232 -8.464 -9.676 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.673 5.098 2.696 0.561 -1.326 -3.003 -4.516 -5.900 -7.189 -8.417 -9.622 -10.844 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.706 5.138 2.738 0.604 -1.281 -2.957 -4.467 -5.849 -7.134 -8.355 -9.551 -10.759 -11.996 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.746 5.189 2.793 0.661 -1.223 -2.898 -4.405 -5.783 -7.063 -8.276 -9.460 -10.650 -11.867 -13.045 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-5.464 -6.719 -7.897 -9.024 -10.123 -11.218 -12.335 -13.631 -0.965 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.966 5.484 3.116 0.997 -0.876 -2.538 -4.028 -5.382 -6.630 -7.800 -8.913 -9.990 -11.051 -12.122 -13.356 -9.009 -5.425 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.003 5.540 3.178 1.063 -0.808 -2.467 -3.953 -5.302 -6.545 -7.705 -8.806 -9.863 -10.893 -11.918 -13.072 -10.864 -9.525 -7.226 -3.910 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.037 5.592 3.237 1.125 -0.742 -2.398 -3.881 -5.225 -6.462 -7.614 -8.703 -9.742 -10.743 -11.725 -12.796 -11.649 -11.009 -9.938 -8.297 -6.092 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.067 5.641 3.293 1.186 -0.679 -2.332 -3.811 -5.151 -6.382 -7.527 -8.604 -9.626 -10.602 -11.545 -12.538 -12.053 -11.727 -11.165 -10.292 -9.051 -7.464 -5.692 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.094 5.687 3.347 1.244 -0.618 -2.268 -3.743 -5.079 -6.304 -7.442 -8.509 -9.516 -10.469 -11.378 -12.301 -12.277 -12.121 -11.819 -11.328 -10.608 -9.635 -8.434 -7.093 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.118 5.731 3.399 1.300 -0.559 -2.206 -3.678 -5.009 -6.229 -7.359 -8.417 -9.411 -10.345 -11.224 -12.088 -12.399 -12.349 -12.198 -11.923 -11.496 -10.895 -10.114 -9.172 -8.123 -7.042 99999.999 99999.999 99999.999 99999.999 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-10.405 -9.947 -9.456 8.204 5.990 3.730 1.669 -0.162 -1.784 -3.228 -4.526 -5.706 -6.790 -7.792 -8.722 -9.582 -10.371 -11.083 -12.248 -12.432 -12.597 -12.742 -12.864 -12.962 -13.033 -13.075 -13.085 -13.062 -13.003 -12.907 -12.773 -12.600 -12.389 -12.142 -11.858 -11.540 -11.189 -10.805 -10.390 8.091 6.125 3.971 1.971 0.182 -1.405 -2.815 -4.075 -5.212 -6.248 -7.199 -8.078 -8.891 -9.643 -10.335 -11.547 -11.763 -11.970 -12.168 -12.358 -12.539 -12.711 -12.875 -13.029 -13.174 -13.309 -13.434 -13.549 -13.653 -13.746 -13.827 -13.896 -13.952 -13.996 -14.027 -14.044 7.783 6.092 4.062 2.132 0.391 -1.156 -2.530 -3.755 -4.853 -5.847 -6.753 -7.586 -8.354 -9.063 -9.719 -10.884 -11.096 -11.301 -11.501 -11.694 -11.881 -12.063 -12.240 -12.412 -12.579 -12.741 -12.899 -13.052 -13.200 -13.344 -13.484 -13.620 -13.752 -13.879 -14.002 -14.122 7.320 5.925 4.031 2.181 0.494 -1.011 -2.348 -3.536 -4.599 -5.554 -6.421 -7.211 -7.937 -8.606 -9.223 -10.322 -10.523 -10.718 -10.908 -11.092 -11.272 -11.447 -11.618 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-40.657 -40.752 -41.218 -41.417 -41.647 -41.913 -42.215 -42.560 -42.952 -43.398 -43.905 -44.478 -45.122 -45.835 -46.609 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -65.408 -60.324 -56.155 -52.746 -49.953 -47.667 -45.801 -44.291 -43.088 -42.151 -41.450 -40.958 -40.654 -40.527 -40.576 -41.019 -41.199 -41.408 -41.648 -41.921 -42.229 -42.576 -42.965 -43.400 -43.885 -44.422 -45.010 -45.647 -46.325 -47.033 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -65.371 -60.299 -56.134 -52.725 -49.931 -47.641 -45.771 -44.255 -43.044 -42.099 -41.386 -40.880 -40.558 -40.406 -40.419 -40.831 -40.995 -41.186 -41.404 -41.653 -41.932 -42.244 -42.591 -42.975 -43.399 -43.862 -44.366 -44.908 -45.484 -46.087 -46.708 99999.999 99999.999 99999.999 99999.999 99999.999 -65.335 -60.274 -56.113 -52.704 -49.909 -47.616 -45.741 -44.220 -43.002 -42.047 -41.324 -40.805 -40.467 -40.294 -40.278 -40.654 -40.803 -40.977 -41.178 -41.405 -41.660 -41.944 -42.259 -42.604 -42.982 -43.393 -43.836 -44.311 -44.813 -45.338 -45.881 -46.433 -46.985 99999.999 99999.999 99999.999 -65.300 -60.250 -56.092 -52.684 -49.886 -47.590 -45.712 -44.185 -42.960 -41.997 -41.264 -40.732 -40.380 -40.190 -40.149 -40.485 -40.621 -40.782 -40.966 -41.175 -41.409 -41.670 -41.957 -42.272 -42.615 -42.986 -43.384 -43.808 -44.255 -44.723 -45.206 -45.698 -46.194 -46.686 99999.999 99999.999 -65.265 -60.226 -56.072 -52.663 -49.864 -47.566 -45.683 -44.150 -42.919 -41.948 -41.205 -40.662 -40.297 -40.091 -40.031 -40.325 -40.449 -40.596 -40.766 -40.959 -41.175 -41.416 -41.681 -41.971 -42.285 -42.624 -42.986 -43.371 -43.776 -44.199 -44.636 -45.083 -45.534 -45.984 -46.428 -46.858 -65.231 -60.202 -56.051 -52.643 -49.842 -47.541 -45.654 -44.117 -42.878 -41.900 -41.147 -40.594 -40.217 -39.997 -39.920 -40.171 -40.285 -40.420 -40.577 -40.755 -40.956 -41.179 -41.425 -41.693 -41.983 -42.295 -42.629 -42.983 -43.354 -43.742 -44.143 -44.553 -44.969 -45.385 -45.797 -46.201 -64.921 -59.979 -55.854 -52.446 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-36.342 -36.343 -36.355 -36.376 -36.407 -36.446 -36.495 -36.552 -36.618 -36.692 -36.774 -36.863 -36.960 -37.064 -37.175 -64.086 -59.294 -55.200 -51.773 -48.909 -46.511 -44.498 -42.805 -41.380 -40.183 -39.179 -38.343 -37.651 -37.086 -36.631 -36.005 -35.919 -35.845 -35.783 -35.731 -35.690 -35.659 -35.638 -35.627 -35.625 -35.632 -35.647 -35.671 -35.704 -35.744 -35.792 -35.847 -35.910 -35.980 -36.058 -36.141 -63.944 -59.161 -55.065 -51.629 -48.753 -46.340 -44.310 -42.599 -41.153 -39.932 -38.902 -38.035 -37.312 -36.712 -36.221 -35.516 -35.413 -35.323 -35.243 -35.174 -35.116 -35.067 -35.028 -34.998 -34.977 -34.965 -34.962 -34.966 -34.979 -34.999 -35.026 -35.062 -35.104 -35.153 -35.209 -35.272 -63.821 -59.039 -54.938 -51.494 -48.605 -46.179 -44.133 -42.405 -40.940 -39.698 -38.645 -37.754 -37.003 -36.374 -35.851 -35.080 -34.963 -34.859 -34.765 -34.681 -34.608 -34.545 -34.491 -34.446 -34.410 -34.382 -34.363 -34.351 -34.348 -34.352 -34.363 -34.382 -34.407 -34.440 -34.479 -34.524 99999.999 -58.927 -54.820 -51.366 -48.465 -46.025 -43.966 -42.221 -40.740 -39.480 -38.407 -37.494 -36.719 -36.065 -35.516 -34.687 -34.559 -34.442 -34.336 -34.240 -34.155 -34.079 -34.012 -33.954 -33.905 -33.865 -33.832 -33.808 -33.791 -33.781 -33.779 -33.784 -33.796 -33.815 -33.840 -33.872 berthierite FeSb2S4 P-T:All Wt.(g/mol) = 427.630 V(cc/mol) = 90.600 D(g/cc) = 4.720 Ref: Bess05 6 -6.000 2 -8.000 31 6.000 1 1.000 11 2.000 24 4.000 4 542.353 492.536 449.265 411.378 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 542.353 492.536 449.265 411.378 377.881 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 542.361 492.543 449.271 411.385 377.887 347.984 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 542.375 492.556 449.284 411.396 377.898 347.996 321.057 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 542.400 492.579 449.304 411.416 377.918 348.015 321.077 296.594 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 542.440 492.614 449.338 411.448 377.949 348.046 321.109 296.628 274.183 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 542.499 492.667 449.387 411.496 377.996 348.093 321.157 296.679 274.239 253.467 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 542.583 492.743 449.458 411.564 378.062 348.160 321.226 296.752 274.318 253.557 234.119 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 542.700 492.848 449.556 411.658 378.154 348.252 321.321 296.852 274.427 253.681 234.269 215.824 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 542.856 492.988 449.687 411.783 378.277 348.375 321.447 296.985 274.571 253.845 234.467 216.084 198.253 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 543.059 493.171 449.858 411.947 378.437 348.535 321.611 297.157 274.758 254.056 234.719 216.411 198.728 180.964 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 543.321 493.407 450.078 412.157 378.643 348.741 321.821 297.377 274.996 254.322 235.035 216.815 199.298 181.915 162.865 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 543.523 493.589 450.248 412.320 378.801 348.899 321.982 297.546 275.177 254.525 235.274 217.116 199.712 182.567 164.381 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 543.813 493.849 450.491 412.552 379.028 349.125 322.212 297.786 275.434 254.811 235.607 217.530 200.270 183.408 165.998 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 544.101 494.108 450.732 412.782 379.253 349.348 322.439 298.022 275.687 255.090 235.929 217.925 200.791 184.164 167.300 126.252 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 544.387 494.365 450.972 413.011 379.475 349.569 322.664 298.255 275.935 255.362 236.241 218.303 201.280 184.852 168.414 135.954 125.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 544.671 494.620 451.210 413.238 379.696 349.789 322.886 298.485 276.179 255.629 236.544 218.665 201.741 185.483 169.392 138.920 131.517 122.886 112.235 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 544.954 494.874 451.447 413.464 379.916 350.006 323.106 298.712 276.419 255.890 236.838 219.013 202.176 186.066 170.265 140.726 134.166 127.120 119.289 110.329 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 545.235 495.127 451.682 413.688 380.134 350.222 323.324 298.937 276.656 256.146 237.125 219.348 202.588 186.606 171.049 142.065 135.923 129.545 122.799 115.518 107.534 98.768 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 545.515 495.379 451.916 413.911 380.350 350.436 323.539 299.159 276.889 256.397 237.404 219.671 202.979 187.109 171.758 143.149 137.262 131.254 125.052 118.571 111.711 104.388 96.570 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 545.794 495.629 452.149 414.132 380.565 350.648 323.753 299.378 277.118 256.643 237.677 219.983 203.352 187.578 172.401 144.071 138.359 132.588 126.713 120.684 114.442 107.928 101.100 93.950 86.517 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 546.071 495.877 452.380 414.352 380.778 350.859 323.964 299.595 277.345 256.886 237.943 220.285 203.707 188.017 172.987 144.881 139.298 133.693 128.038 122.298 116.436 110.414 104.197 97.766 91.123 84.302 77.361 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 546.346 496.125 452.610 414.571 380.990 351.068 324.174 299.809 277.569 257.124 238.203 220.577 204.047 188.429 173.521 145.607 140.124 134.645 129.148 123.610 118.005 112.306 106.489 100.534 94.434 88.199 81.855 75.446 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 546.620 496.371 452.839 414.789 381.201 351.275 324.382 300.021 277.790 257.359 238.458 220.861 204.373 188.816 174.010 146.269 140.866 135.486 130.110 124.721 119.301 113.830 108.290 102.664 96.945 91.132 85.236 79.281 73.300 67.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 546.893 496.616 453.067 415.005 381.410 351.481 324.588 300.231 278.008 257.590 238.707 221.137 204.686 189.182 174.459 146.880 141.543 136.242 130.962 125.690 120.410 115.108 109.770 104.384 98.940 93.436 87.875 82.271 76.642 71.015 65.422 99999.999 99999.999 99999.999 99999.999 99999.999 547.165 496.860 453.294 415.221 381.618 351.685 324.793 300.439 278.223 257.817 238.952 221.406 204.987 189.530 174.875 147.448 142.168 136.932 131.731 126.552 121.382 116.212 111.028 105.821 100.584 95.312 90.006 84.673 79.323 73.974 68.649 63.370 58.162 99999.999 99999.999 99999.999 547.435 497.103 453.519 415.435 381.825 351.888 324.995 300.646 278.437 258.042 239.193 221.668 205.279 189.861 175.263 147.981 142.748 137.569 132.434 127.331 122.251 117.185 112.123 107.057 101.979 96.887 91.779 86.657 81.529 76.406 71.302 66.237 61.227 56.294 99999.999 99999.999 547.704 497.344 453.744 415.647 382.030 352.090 325.197 300.850 278.647 258.263 239.429 221.924 205.562 190.179 175.629 148.483 143.293 138.162 133.082 128.044 123.039 118.059 113.095 108.141 103.192 98.242 93.290 88.336 83.386 78.446 73.527 68.641 63.803 59.029 54.333 49.730 547.972 497.585 453.967 415.859 382.235 352.291 325.396 301.052 278.856 258.481 239.662 222.176 205.837 190.486 175.978 148.960 143.807 138.718 133.686 128.703 123.761 118.853 113.971 109.110 104.264 99.429 94.604 89.787 84.982 80.192 75.426 70.692 66.001 61.366 56.798 52.310 550.587 499.934 456.147 417.923 384.220 354.230 327.320 302.988 280.835 260.535 241.822 224.478 208.323 193.201 178.982 152.800 147.871 143.030 138.274 133.596 128.993 124.459 119.991 115.585 111.237 106.945 102.706 98.517 94.376 90.283 86.235 82.233 78.276 74.365 70.501 66.683 553.105 502.196 458.242 419.901 386.116 356.072 329.132 304.796 282.661 262.402 243.755 226.502 210.460 195.479 181.430 155.698 150.879 146.158 141.530 136.989 132.532 128.155 123.855 119.627 115.468 111.375 107.346 103.378 99.468 95.615 91.816 88.070 84.375 80.730 77.133 73.584 555.543 504.385 460.267 421.809 387.940 357.836 330.859 306.505 284.372 264.135 245.529 228.334 212.369 197.482 183.545 158.099 153.349 148.700 144.148 139.688 135.317 131.030 126.823 122.694 118.639 114.655 110.739 106.888 103.101 99.373 95.704 92.092 88.533 85.027 81.572 78.166 557.919 506.514 462.234 423.659 389.703 359.536 332.516 308.137 285.995 265.766 247.182 230.025 214.112 199.291 185.433 160.185 155.481 150.881 146.380 141.974 137.659 133.430 129.285 125.220 121.231 117.316 113.472 109.696 105.984 102.336 98.748 95.218 91.744 88.325 84.957 81.641 560.245 508.594 464.151 425.459 391.415 361.184 334.116 309.705 287.547 267.315 248.742 231.608 215.731 200.956 187.154 162.049 157.378 152.813 148.349 143.981 139.705 135.518 131.416 127.395 123.453 119.586 115.791 112.065 108.406 104.811 101.278 97.805 94.389 91.028 87.721 84.465 562.529 510.633 466.026 427.216 393.084 362.785 335.668 311.221 289.040 268.798 250.227 233.105 217.251 202.508 188.748 163.747 159.101 154.562 150.124 145.784 141.538 137.381 133.310 129.322 125.414 121.581 117.822 114.133 110.511 106.955 103.462 100.029 96.654 93.335 90.071 86.858 564.779 512.637 467.866 428.936 394.715 364.348 337.177 312.692 290.485 270.226 251.649 234.532 218.691 203.970 190.239 165.317 160.689 156.169 151.752 147.433 143.208 139.074 135.027 131.063 127.180 123.373 119.640 115.979 112.386 108.858 105.394 101.991 98.646 95.359 92.125 88.945 99999.999 514.612 469.674 430.624 396.313 365.876 338.651 314.125 291.887 271.608 253.020 235.901 220.065 205.358 191.647 166.782 162.169 157.663 153.261 148.958 144.750 140.634 136.605 132.659 128.795 125.008 121.295 117.655 114.083 110.577 107.135 103.754 100.433 97.168 93.959 90.802 bornite Cu5FeS4 P-T:All Wt.(g/mol) = 501.800 V(cc/mol) = 98.720 D(g/cc) = 5.083 Ref: RSH94/Shock07 6 -2.875 1 -0.500 2 0.125 4 5.000 16 1.000 11 3.875 6 -119.292 -109.503 -101.384 -94.551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -119.292 -109.503 -101.384 -94.551 -88.748 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -119.290 -109.501 -101.382 -94.549 -88.746 -83.790 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -119.285 -109.497 -101.378 -94.546 -88.742 -83.786 -79.544 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -119.276 -109.490 -101.372 -94.540 -88.737 -83.780 -79.537 -75.910 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -119.263 -109.480 -101.362 -94.530 -88.727 -83.770 -79.527 -75.898 -72.812 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -119.244 -109.464 -101.348 -94.517 -88.713 -83.756 -79.511 -75.880 -72.792 -70.223 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -119.216 -109.441 -101.328 -94.497 -88.694 -83.735 -79.488 -75.855 -72.762 -70.187 -68.126 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -119.178 -109.410 -101.299 -94.470 -88.666 -83.707 -79.457 -75.820 -72.722 -70.138 -68.062 -66.509 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -119.128 -109.369 -101.262 -94.434 -88.630 -83.669 -79.417 -75.774 -72.668 -70.073 -67.979 -66.394 -65.381 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -119.063 -109.316 -101.214 -94.388 -88.584 -83.620 -79.364 -75.715 -72.600 -69.990 -67.873 -66.249 -65.167 -64.781 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -118.982 -109.249 -101.153 -94.329 -88.525 -83.559 -79.297 -75.640 -72.513 -69.886 -67.741 -66.070 -64.908 -64.379 -64.952 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -118.920 -109.198 -101.106 -94.284 -88.480 -83.511 -79.246 -75.583 -72.448 -69.808 -67.642 -65.937 -64.718 -64.090 -64.480 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -118.833 -109.126 -101.040 -94.221 -88.416 -83.445 -79.174 -75.503 -72.356 -69.699 -67.506 -65.755 -64.460 -63.704 -63.842 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -118.748 -109.055 -100.976 -94.159 -88.353 -83.380 -79.104 -75.425 -72.267 -69.593 -67.375 -65.582 -64.220 -63.349 -63.261 -60.802 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -118.666 -108.987 -100.913 -94.098 -88.292 -83.316 -79.035 -75.349 -72.180 -69.491 -67.249 -65.419 -63.996 -63.023 -62.734 -60.350 -60.386 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -118.586 -108.919 -100.852 -94.038 -88.232 -83.254 -78.968 -75.275 -72.096 -69.393 -67.129 -65.264 -63.786 -62.722 -62.256 -60.047 -59.957 -60.036 -60.645 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -118.508 -108.854 -100.791 -93.980 -88.174 -83.192 -78.902 -75.202 -72.014 -69.297 -67.013 -65.117 -63.590 -62.446 -61.824 -59.732 -59.612 -59.567 -59.670 -60.094 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -118.433 -108.790 -100.733 -93.923 -88.116 -83.133 -78.838 -75.131 -71.934 -69.204 -66.901 -64.977 -63.406 -62.191 -61.434 -59.432 -59.285 -59.194 -59.182 -59.298 -59.636 -60.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -118.360 -108.728 -100.675 -93.867 -88.060 -83.074 -78.775 -75.062 -71.856 -69.114 -66.794 -64.844 -63.234 -61.958 -61.084 -59.149 -58.978 -58.855 -58.790 -58.801 -58.923 -59.209 -59.722 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -118.288 -108.667 -100.618 -93.812 -88.004 -83.016 -78.714 -74.995 -71.780 -69.027 -66.690 -64.717 -63.073 -61.744 -60.771 -58.885 -58.691 -58.542 -58.442 -58.398 -58.425 -58.547 -58.795 -59.201 -59.785 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -118.219 -108.607 -100.563 -93.758 -87.950 -82.960 -78.653 -74.928 -71.706 -68.942 -66.590 -64.597 -62.922 -61.547 -60.492 -58.635 -58.423 -58.251 -58.122 -58.041 -58.014 -58.053 -58.171 -58.387 -58.718 -59.172 -59.743 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -118.152 -108.549 -100.509 -93.705 -87.897 -82.904 -78.594 -74.864 -71.633 -68.859 -66.494 -64.481 -62.780 -61.366 -60.244 -58.400 -58.170 -57.978 -57.826 -57.716 -57.652 -57.639 -57.683 -57.795 -57.985 -58.258 -58.617 -59.057 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -118.086 -108.492 -100.456 -93.653 -87.844 -82.850 -78.536 -74.800 -71.562 -68.778 -66.400 -64.371 -62.647 -61.200 -60.024 -58.177 -57.931 -57.722 -57.549 -57.416 -57.322 -57.272 -57.269 -57.316 -57.420 -57.585 -57.812 -58.100 -58.443 -58.828 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -118.022 -108.436 -100.403 -93.602 -87.793 -82.797 -78.479 -74.738 -71.493 -68.700 -66.310 -64.265 -62.521 -61.047 -59.828 -57.965 -57.705 -57.479 -57.289 -57.135 -57.018 -56.939 -56.900 -56.904 -56.952 -57.046 -57.188 -57.377 -57.609 -57.877 -58.172 99999.999 99999.999 99999.999 99999.999 99999.999 -117.960 -108.382 -100.352 -93.552 -87.743 -82.744 -78.423 -74.677 -71.425 -68.623 -66.222 -64.163 -62.402 -60.905 -59.653 -57.763 -57.489 -57.250 -57.043 -56.871 -56.734 -56.631 -56.565 -56.535 -56.543 -56.589 -56.673 -56.795 -56.951 -57.137 -57.347 -57.572 -57.802 99999.999 99999.999 99999.999 -117.900 -108.329 -100.302 -93.503 -87.693 -82.693 -78.369 -74.617 -71.359 -68.548 -66.137 -64.065 -62.289 -60.773 -59.494 -57.569 -57.284 -57.031 -56.810 -56.622 -56.467 -56.344 -56.255 -56.198 -56.175 -56.185 -56.228 -56.302 -56.404 -56.533 -56.681 -56.845 -57.015 -57.184 99999.999 99999.999 -117.842 -108.277 -100.253 -93.455 -87.644 -82.642 -78.315 -74.559 -71.294 -68.475 -66.054 -63.971 -62.180 -60.648 -59.349 -57.384 -57.087 -56.822 -56.589 -56.386 -56.215 -56.074 -55.965 -55.886 -55.838 -55.820 -55.831 -55.869 -55.932 -56.018 -56.122 -56.239 -56.365 -56.492 -56.613 -56.723 -117.785 -108.226 -100.205 -93.408 -87.596 -82.593 -78.262 -74.501 -71.230 -68.404 -65.973 -63.879 -62.075 -60.529 -59.213 -57.206 -56.899 -56.623 -56.377 -56.161 -55.975 -55.819 -55.693 -55.595 -55.526 -55.484 -55.469 -55.479 -55.512 -55.565 -55.635 -55.718 -55.809 -55.904 -55.996 -56.081 -117.298 -107.776 -99.771 -92.978 -87.160 -82.139 -77.781 -73.980 -70.657 -67.765 -65.255 -63.069 -61.162 -59.498 -58.052 -55.727 -55.344 -54.988 -54.657 -54.350 -54.068 -53.808 -53.572 -53.358 -53.165 -52.994 -52.842 -52.709 -52.595 -52.498 -52.416 -52.349 -52.296 -52.254 -52.222 -52.199 -116.938 -107.415 -99.411 -92.614 -86.786 -81.750 -77.369 -73.537 -70.174 -67.232 -64.663 -62.409 -60.425 -58.678 -57.139 -54.603 -54.173 -53.767 -53.384 -53.023 -52.684 -52.366 -52.068 -51.791 -51.533 -51.293 -51.072 -50.868 -50.682 -50.511 -50.357 -50.218 -50.093 -49.982 -49.884 -49.799 -116.677 -107.126 -99.109 -92.302 -86.463 -81.412 -77.010 -73.153 -69.758 -66.776 -64.161 -61.853 -59.810 -57.998 -56.390 -53.697 -53.232 -52.791 -52.371 -51.972 -51.594 -51.236 -50.897 -50.576 -50.274 -49.990 -49.722 -49.471 -49.236 -49.017 -48.813 -48.624 -48.450 -48.289 -48.141 -48.006 -116.498 -106.895 -98.856 -92.034 -86.181 -81.114 -76.695 -72.816 -69.393 -66.380 -63.726 -61.376 -59.285 -57.420 -55.756 -52.940 -52.449 -51.980 -51.533 -51.105 -50.698 -50.309 -49.940 -49.588 -49.253 -48.935 -48.634 -48.348 -48.078 -47.824 -47.583 -47.358 -47.146 -46.947 -46.762 -46.589 -116.383 -106.711 -98.643 -91.802 -85.933 -80.851 -76.414 -72.516 -69.070 -66.030 -63.345 -60.959 -58.828 -56.920 -55.209 -52.293 -51.781 -51.290 -50.821 -50.371 -49.940 -49.528 -49.134 -48.757 -48.398 -48.054 -47.727 -47.415 -47.118 -46.836 -46.568 -46.313 -46.073 -45.845 -45.631 -45.429 -116.322 -106.568 -98.464 -91.601 -85.715 -80.616 -76.163 -72.247 -68.781 -65.717 -63.006 -60.590 -58.426 -56.482 -54.732 -51.731 -51.202 -50.693 -50.205 -49.737 -49.287 -48.856 -48.442 -48.046 -47.666 -47.302 -46.954 -46.621 -46.302 -45.998 -45.708 -45.432 -45.168 -44.918 -44.680 -44.455 -116.307 -106.457 -98.314 -91.427 -85.521 -80.406 -75.937 -72.003 -68.519 -65.435 -62.702 -60.260 -58.067 -56.092 -54.309 -51.238 -50.693 -50.169 -49.666 -49.182 -48.716 -48.269 -47.839 -47.427 -47.030 -46.649 -46.284 -45.934 -45.598 -45.276 -44.968 -44.674 -44.392 -44.124 -43.867 -43.623 99999.999 -106.374 -98.188 -91.274 -85.349 -80.216 -75.732 -71.782 -68.282 -65.180 -62.426 -59.962 -57.745 -55.744 -53.932 -50.799 -50.242 -49.705 -49.188 -48.691 -48.212 -47.752 -47.308 -46.882 -46.471 -46.076 -45.697 -45.332 -44.982 -44.646 -44.323 -44.014 -43.717 -43.434 -43.162 -42.903 bornite Cu5FeS4 P-T:All Wt.(g/mol) = 501.800 V(cc/mol) = 98.720 D(g/cc) = 5.083 Ref: RSH94/Shock07 6 1.000 1 -0.500 2 4.000 4 5.000 16 1.000 11 -7.750 31 470.090 426.475 388.569 355.389 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 470.090 426.475 388.569 355.390 326.066 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 470.099 426.483 388.576 355.397 326.073 299.904 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 470.116 426.498 388.591 355.411 326.087 299.917 276.340 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 470.144 426.524 388.615 355.434 326.109 299.940 276.363 254.925 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 470.189 426.565 388.654 355.471 326.146 299.976 276.400 254.963 235.287 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 470.257 426.627 388.711 355.526 326.200 300.030 276.455 255.021 235.350 217.085 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 470.353 426.715 388.794 355.606 326.277 300.107 276.534 255.103 235.439 217.186 200.012 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 470.486 426.837 388.908 355.715 326.384 300.213 276.642 255.216 235.561 217.323 200.177 183.785 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 470.663 426.998 389.060 355.860 326.526 300.354 276.786 255.367 235.722 217.505 200.395 184.068 168.100 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 470.894 427.209 389.258 356.050 326.710 300.538 276.972 255.561 235.931 217.739 200.672 184.425 168.611 152.541 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 471.189 427.480 389.512 356.293 326.947 300.773 277.211 255.809 236.197 218.034 201.020 184.866 169.226 153.544 136.036 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 471.417 427.688 389.708 356.480 327.129 300.954 277.394 255.999 236.400 218.259 201.282 185.194 169.675 154.238 137.561 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 471.741 427.985 389.986 356.746 327.388 301.211 277.654 256.269 236.686 218.575 201.648 185.646 170.280 155.139 139.240 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 472.062 428.279 390.262 357.010 327.644 301.464 277.911 256.534 236.967 218.883 202.001 186.077 170.846 155.953 140.621 104.564 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 472.380 428.570 390.536 357.271 327.898 301.715 278.163 256.795 237.243 219.183 202.343 186.489 171.377 156.696 141.814 113.324 104.308 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 472.694 428.859 390.806 357.529 328.149 301.963 278.413 257.051 237.513 219.477 202.675 186.884 171.877 157.380 142.870 116.056 109.428 101.656 91.894 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 473.006 429.144 391.074 357.785 328.397 302.208 278.660 257.305 237.779 219.764 202.997 187.263 172.349 158.011 143.814 117.769 111.895 105.571 98.502 90.317 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 473.314 429.427 391.340 358.038 328.643 302.450 278.903 257.554 238.041 220.045 203.310 187.627 172.796 158.595 144.664 119.064 113.568 107.850 101.784 95.202 87.918 79.816 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 473.620 429.708 391.603 358.289 328.886 302.690 279.144 257.800 238.298 220.321 203.615 187.978 173.220 159.139 145.432 120.129 114.865 109.483 103.917 98.081 91.874 85.200 78.006 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 473.923 429.986 391.864 358.538 329.127 302.927 279.381 258.043 238.551 220.591 203.911 188.316 173.623 159.645 146.127 121.044 115.942 110.778 105.511 100.094 94.468 88.571 82.355 75.797 68.925 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 474.223 430.262 392.122 358.784 329.365 303.162 279.616 258.282 238.800 220.856 204.201 188.643 174.007 160.118 146.759 121.855 116.872 111.863 106.799 101.650 96.378 90.947 85.319 79.469 73.393 67.116 60.693 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 474.521 430.535 392.379 359.029 329.602 303.394 279.849 258.519 239.045 221.116 204.484 188.959 174.373 160.560 147.333 122.587 117.698 112.805 107.889 102.927 97.896 92.768 87.519 82.129 76.587 70.897 65.082 59.184 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 474.816 430.806 392.633 359.271 329.836 303.625 280.078 258.752 239.287 221.372 204.760 189.266 174.723 160.975 147.856 123.258 118.445 113.644 108.841 104.019 99.160 94.247 89.260 84.184 79.009 73.733 68.364 62.924 57.445 51.965 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 475.109 431.075 392.885 359.511 330.069 303.853 280.306 258.983 239.526 221.623 205.030 189.563 175.059 161.366 148.336 123.880 119.129 114.404 109.691 104.978 100.251 95.496 90.700 85.850 80.939 75.961 70.921 65.827 60.700 55.566 50.454 99999.999 99999.999 99999.999 99999.999 99999.999 475.399 431.342 393.135 359.750 330.299 304.078 280.531 259.211 239.761 221.870 205.295 189.853 175.382 161.737 148.777 124.461 119.763 115.101 110.462 105.837 101.214 96.582 91.931 87.252 82.537 77.782 72.987 68.158 63.306 58.447 53.603 48.799 44.059 99999.999 99999.999 99999.999 475.687 431.607 393.384 359.986 330.527 304.302 280.754 259.437 239.994 222.114 205.555 190.135 175.693 162.089 149.187 125.007 120.356 115.747 111.170 106.617 102.079 97.547 93.011 88.464 83.901 79.317 74.711 70.086 65.449 60.811 56.186 51.592 47.050 42.578 99999.999 99999.999 475.972 431.869 393.630 360.221 330.754 304.524 280.974 259.660 240.223 222.354 205.810 190.410 175.995 162.426 149.572 125.524 120.913 116.350 111.827 107.335 102.868 98.417 93.974 89.534 85.092 80.643 76.186 71.723 67.257 62.795 58.349 53.931 49.556 45.240 40.999 36.847 476.256 432.130 393.875 360.454 330.978 304.744 281.193 259.881 240.450 222.590 206.061 190.679 176.290 162.752 149.939 126.015 121.440 116.917 112.440 108.002 103.594 99.211 94.847 90.495 86.151 81.811 77.475 73.142 68.814 64.497 60.198 55.926 51.693 47.511 43.393 39.352 478.976 434.641 396.229 362.692 333.135 306.848 283.275 261.972 242.581 224.795 208.373 193.136 178.930 165.622 153.097 129.997 125.641 121.360 117.151 113.009 108.929 104.908 100.942 97.028 93.162 89.342 85.566 81.832 78.138 74.483 70.867 67.290 63.751 60.251 56.792 53.375 481.522 436.999 398.442 364.794 335.153 308.810 285.204 263.892 244.518 226.773 210.417 195.271 181.181 168.016 155.663 133.012 128.767 124.605 120.523 116.516 112.582 108.716 104.915 101.176 97.496 93.872 90.303 86.785 83.316 79.895 76.520 73.190 69.902 66.658 63.454 60.291 483.930 439.236 400.542 366.786 337.063 310.660 287.015 265.683 246.309 228.586 212.271 197.185 183.173 170.104 157.865 135.504 131.327 127.238 123.233 119.308 115.459 111.683 107.977 104.337 100.761 97.246 93.789 90.388 87.041 83.746 80.500 77.302 74.150 71.042 67.978 64.956 486.228 441.374 402.549 368.689 338.884 312.419 288.730 267.372 247.989 230.272 213.981 198.934 184.976 171.975 159.817 137.658 133.528 129.489 125.536 121.665 117.873 114.157 110.513 106.938 103.429 99.984 96.600 93.274 90.004 86.788 83.624 80.509 77.443 74.422 71.447 68.514 488.437 443.430 404.478 370.516 340.631 314.103 290.368 268.979 249.578 231.859 215.579 200.556 186.635 173.682 161.583 139.571 135.476 131.472 127.557 123.725 119.974 116.300 112.700 109.170 105.709 102.313 98.979 95.705 92.488 89.327 86.219 83.162 80.154 77.194 74.279 71.409 490.573 445.420 406.343 372.280 342.315 315.724 291.940 270.517 251.094 233.365 217.087 202.078 188.181 175.263 163.206 141.305 137.234 133.258 129.370 125.567 121.846 118.203 114.636 111.140 107.713 104.352 101.055 97.819 94.641 91.520 88.453 85.437 82.472 79.555 76.684 73.858 492.649 447.354 408.152 373.990 343.946 317.292 293.458 271.997 252.549 234.804 218.521 203.518 189.636 176.741 164.716 142.896 138.846 134.889 131.022 127.241 123.543 119.924 116.381 112.910 109.510 106.176 102.906 99.699 96.550 93.458 90.421 87.437 84.503 81.618 78.780 75.988 99999.999 449.242 409.915 375.653 345.530 318.812 294.928 273.428 253.951 236.187 219.894 204.890 191.015 178.135 166.132 144.374 140.338 136.397 132.546 128.783 125.102 121.501 117.977 114.526 111.145 107.832 104.583 101.397 98.270 95.201 92.188 89.227 86.317 83.456 80.643 77.875 calcium Ca P-T:All Wt.(g/mol) = 40.078 V(cc/mol) = 26.190 D(g/cc) = 1.530 Ref: RG97 5 0.250 6 1.000 9 1.000 2 -0.250 4 -2.250 1 114.986 105.267 97.069 90.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.986 105.267 97.069 90.064 84.008 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.987 105.268 97.070 90.064 84.009 78.721 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.988 105.269 97.071 90.065 84.009 78.722 74.065 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.990 105.271 97.072 90.067 84.011 78.724 74.066 69.930 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.993 105.274 97.075 90.069 84.013 78.726 74.068 69.932 66.234 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.998 105.278 97.079 90.073 84.017 78.729 74.071 69.936 66.237 62.908 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.005 105.284 97.084 90.078 84.022 78.734 74.076 69.940 66.242 62.913 59.897 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.015 105.292 97.092 90.085 84.029 78.741 74.082 69.947 66.249 62.920 59.904 57.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.027 105.304 97.103 90.095 84.038 78.749 74.091 69.955 66.257 62.929 59.914 57.166 54.651 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.043 105.318 97.116 90.108 84.050 78.761 74.102 69.966 66.268 62.940 59.926 57.180 54.665 52.370 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.064 105.337 97.133 90.124 84.065 78.776 74.117 69.981 66.283 62.955 59.942 57.197 54.685 52.382 50.333 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.081 105.352 97.147 90.136 84.077 78.787 74.128 69.991 66.294 62.966 59.954 57.211 54.700 52.396 50.288 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.103 105.373 97.166 90.154 84.094 78.803 74.143 70.007 66.309 62.982 59.971 57.230 54.723 52.419 50.285 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.126 105.393 97.185 90.172 84.110 78.819 74.159 70.022 66.325 62.998 59.988 57.249 54.745 52.444 50.306 48.717 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.148 105.413 97.204 90.189 84.127 78.835 74.174 70.037 66.340 63.014 60.004 57.267 54.766 52.470 50.336 47.530 47.436 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.171 105.433 97.222 90.207 84.143 78.851 74.189 70.052 66.355 63.029 60.020 57.285 54.787 52.495 50.369 47.237 46.815 46.552 46.450 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.192 105.453 97.240 90.224 84.160 78.866 74.205 70.067 66.370 63.044 60.036 57.302 54.807 52.519 50.401 47.106 46.578 46.133 45.791 45.547 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.214 105.473 97.259 90.241 84.176 78.882 74.220 70.082 66.384 63.059 60.052 57.319 54.826 52.542 50.433 47.034 46.457 45.935 45.478 45.094 44.776 44.498 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.235 105.493 97.277 90.258 84.192 78.897 74.234 70.097 66.399 63.073 60.067 57.335 54.844 52.563 50.462 46.991 46.386 45.824 45.309 44.846 44.438 44.078 43.753 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.257 105.512 97.295 90.275 84.208 78.912 74.249 70.111 66.413 63.088 60.082 57.351 54.861 52.583 50.488 46.964 46.342 45.756 45.207 44.699 44.234 43.812 43.429 43.075 42.738 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.278 105.531 97.313 90.291 84.223 78.927 74.264 70.125 66.427 63.102 60.096 57.366 54.878 52.602 50.512 46.947 46.314 45.712 45.141 44.605 44.105 43.641 43.212 42.816 42.445 42.092 41.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.298 105.550 97.330 90.308 84.239 78.942 74.278 70.139 66.441 63.116 60.110 57.381 54.893 52.619 50.533 46.937 46.296 45.682 45.098 44.543 44.019 43.526 43.065 42.634 42.231 41.850 41.488 41.139 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.319 105.569 97.348 90.324 84.255 78.957 74.292 70.153 66.455 63.130 60.125 57.396 54.908 52.635 50.551 46.932 46.284 45.663 45.068 44.500 43.960 43.447 42.963 42.506 42.076 41.669 41.284 40.917 40.564 40.223 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.339 105.588 97.365 90.341 84.270 78.972 74.307 70.167 66.469 63.144 60.138 57.410 54.923 52.650 50.567 46.930 46.278 45.651 45.048 44.471 43.918 43.391 42.890 42.414 41.963 41.535 41.129 40.742 40.373 40.019 39.678 99999.999 99999.999 99999.999 99999.999 99999.999 115.359 105.607 97.383 90.357 84.285 78.986 74.321 70.181 66.482 63.157 60.152 57.423 54.937 52.664 50.582 46.931 46.275 45.643 45.035 44.450 43.889 43.352 42.837 42.347 41.879 41.434 41.010 40.607 40.221 39.853 39.499 39.159 38.831 99999.999 99999.999 99999.999 115.379 105.625 97.400 90.373 84.301 79.001 74.335 70.195 66.496 63.171 60.165 57.437 54.950 52.677 50.594 46.934 46.275 45.640 45.027 44.436 43.868 43.323 42.799 42.297 41.817 41.358 40.920 40.501 40.101 39.718 39.351 38.999 38.661 38.336 99999.999 99999.999 115.399 105.643 97.417 90.389 84.316 79.015 74.349 70.208 66.509 63.184 60.179 57.450 54.963 52.690 50.606 46.938 46.277 45.639 45.022 44.427 43.854 43.302 42.771 42.261 41.771 41.301 40.850 40.419 40.006 39.611 39.232 38.868 38.518 38.182 37.859 37.549 115.419 105.662 97.434 90.405 84.331 79.030 74.362 70.222 66.522 63.197 60.192 57.463 54.976 52.702 50.618 46.944 46.281 45.640 45.020 44.422 43.845 43.288 42.750 42.233 41.735 41.257 40.797 40.356 39.932 39.525 39.135 38.760 38.400 38.053 37.720 37.400 115.606 105.837 97.598 90.559 84.477 79.168 74.496 70.351 66.650 63.323 60.317 57.588 55.100 52.823 50.733 47.032 46.360 45.708 45.075 44.462 43.867 43.289 42.728 42.183 41.654 41.141 40.642 40.157 39.686 39.229 38.785 38.353 37.934 37.526 37.131 36.746 115.781 106.004 97.755 90.706 84.616 79.301 74.623 70.474 66.769 63.441 60.434 57.704 55.215 52.937 50.845 47.136 46.461 45.806 45.171 44.553 43.954 43.371 42.804 42.253 41.717 41.196 40.688 40.194 39.713 39.244 38.787 38.341 37.907 37.483 37.070 36.667 115.945 106.162 97.905 90.848 84.750 79.428 74.745 70.591 66.883 63.552 60.544 57.813 55.323 53.045 50.951 47.239 46.564 45.908 45.271 44.652 44.051 43.466 42.898 42.345 41.807 41.283 40.773 40.275 39.791 39.318 38.857 38.408 37.969 37.540 37.122 36.713 116.101 106.315 98.050 90.986 84.880 79.552 74.863 70.705 66.993 63.659 60.648 57.916 55.426 53.146 51.052 47.339 46.663 46.006 45.369 44.749 44.148 43.562 42.993 42.440 41.901 41.376 40.864 40.366 39.880 39.407 38.944 38.493 38.053 37.623 37.203 36.792 116.250 106.463 98.192 91.120 85.007 79.672 74.978 70.815 67.099 63.762 60.749 58.015 55.523 53.243 51.149 47.434 46.757 46.101 45.463 44.843 44.241 43.656 43.086 42.532 41.993 41.468 40.956 40.457 39.971 39.497 39.035 38.583 38.142 37.712 37.291 36.880 116.395 106.608 98.330 91.251 85.131 79.790 75.090 70.922 67.203 63.862 60.847 58.111 55.618 53.336 51.241 47.525 46.848 46.191 45.553 44.934 44.331 43.746 43.176 42.622 42.082 41.557 41.045 40.546 40.060 39.586 39.123 38.671 38.230 37.800 37.379 36.968 116.535 106.749 98.465 91.379 85.253 79.907 75.201 71.028 67.304 63.960 60.942 58.204 55.709 53.426 51.330 47.612 46.935 46.278 45.640 45.020 44.418 43.832 43.262 42.708 42.168 41.643 41.131 40.632 40.145 39.671 39.208 38.757 38.316 37.885 37.465 37.053 99999.999 106.888 98.599 91.506 85.374 80.021 75.310 71.132 67.404 64.057 61.035 58.294 55.798 53.513 51.416 47.697 47.019 46.362 45.724 45.104 44.501 43.915 43.345 42.790 42.251 41.725 41.213 40.714 40.227 39.753 39.290 38.839 38.398 37.967 37.546 37.135 calcium Ca P-T:All Wt.(g/mol) = 40.078 V(cc/mol) = 26.190 D(g/cc) = 1.530 Ref: RG97 4 1.000 9 1.000 2 -2.000 1 -0.500 31 153.011 139.846 128.679 119.092 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.011 139.846 128.679 119.092 110.770 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.012 139.847 128.680 119.093 110.771 103.476 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.014 139.849 128.681 119.094 110.773 103.477 97.025 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.017 139.852 128.684 119.097 110.775 103.480 97.027 91.274 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.023 139.857 128.689 119.101 110.779 103.484 97.031 91.278 86.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.031 139.864 128.696 119.108 110.785 103.490 97.037 91.284 86.118 81.444 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.042 139.875 128.705 119.117 110.794 103.498 97.045 91.292 86.126 81.453 77.196 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.057 139.889 128.719 119.129 110.806 103.510 97.057 91.304 86.138 81.466 77.210 73.303 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.078 139.908 128.736 119.146 110.822 103.525 97.072 91.319 86.153 81.482 77.228 73.325 69.714 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.105 139.933 128.759 119.168 110.843 103.545 97.092 91.339 86.174 81.504 77.252 73.352 69.748 66.391 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.140 139.965 128.789 119.196 110.870 103.571 97.117 91.364 86.199 81.531 77.281 73.387 69.790 66.441 63.300 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.167 139.990 128.812 119.218 110.890 103.591 97.137 91.384 86.219 81.551 77.304 73.413 69.823 66.481 63.323 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.205 140.025 128.845 119.249 110.920 103.619 97.164 91.412 86.247 81.581 77.336 73.450 69.867 66.538 63.387 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.243 140.060 128.878 119.279 110.949 103.648 97.192 91.439 86.275 81.609 77.367 73.485 69.910 66.593 63.460 59.386 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.280 140.094 128.910 119.310 110.978 103.676 97.219 91.466 86.303 81.638 77.397 73.519 69.951 66.645 63.533 58.734 58.062 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.318 140.129 128.942 119.340 111.007 103.703 97.246 91.493 86.330 81.666 77.427 73.553 69.991 66.695 63.603 58.599 57.743 56.984 56.292 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.355 140.163 128.974 119.370 111.035 103.731 97.273 91.519 86.356 81.693 77.456 73.585 70.028 66.742 63.668 58.558 57.643 56.787 55.996 55.251 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.391 140.197 129.005 119.400 111.063 103.758 97.300 91.546 86.383 81.720 77.484 73.616 70.064 66.786 63.729 58.550 57.609 56.712 55.863 55.062 54.296 53.539 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.428 140.230 129.037 119.429 111.091 103.785 97.326 91.571 86.409 81.747 77.512 73.646 70.099 66.827 63.785 58.557 57.602 56.685 55.806 54.968 54.167 53.395 52.638 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.464 140.264 129.068 119.458 111.119 103.812 97.352 91.597 86.434 81.773 77.540 73.676 70.132 66.866 63.836 58.572 57.609 56.680 55.785 54.924 54.098 53.304 52.536 51.785 51.042 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.500 140.297 129.099 119.488 111.147 103.838 97.378 91.623 86.460 81.799 77.567 73.704 70.163 66.903 63.883 58.591 57.623 56.687 55.782 54.908 54.066 53.254 52.470 51.710 50.968 50.239 49.519 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.535 140.330 129.129 119.516 111.174 103.865 97.403 91.648 86.485 81.824 77.593 73.732 70.194 66.937 63.925 58.614 57.642 56.701 55.789 54.907 54.054 53.230 52.433 51.662 50.913 50.183 49.468 48.767 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.571 140.363 129.160 119.545 111.202 103.891 97.429 91.673 86.510 81.849 77.619 73.759 70.223 66.969 63.963 58.637 57.663 56.719 55.803 54.916 54.056 53.223 52.416 51.635 50.877 50.141 49.425 48.725 48.041 47.371 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.606 140.395 129.190 119.574 111.229 103.917 97.454 91.698 86.534 81.874 77.644 73.786 70.251 66.999 63.997 58.662 57.687 56.740 55.821 54.930 54.065 53.226 52.413 51.624 50.859 50.116 49.394 48.691 48.006 47.338 46.686 99999.999 99999.999 99999.999 99999.999 99999.999 153.641 140.427 129.221 119.602 111.256 103.943 97.479 91.722 86.559 81.899 77.669 73.812 70.278 67.028 64.029 58.687 57.711 56.763 55.842 54.948 54.079 53.236 52.418 51.623 50.852 50.103 49.375 48.668 47.980 47.310 46.657 46.021 45.403 99999.999 99999.999 99999.999 153.675 140.460 129.251 119.630 111.282 103.968 97.504 91.747 86.583 81.923 77.694 73.837 70.304 67.055 64.058 58.713 57.736 56.786 55.864 54.968 54.097 53.251 52.429 51.630 50.854 50.100 49.368 48.655 47.963 47.289 46.633 45.995 45.375 44.772 99999.999 99999.999 153.710 140.492 129.280 119.658 111.309 103.994 97.529 91.771 86.607 81.947 77.718 73.862 70.330 67.082 64.085 58.739 57.761 56.811 55.888 54.990 54.118 53.269 52.444 51.642 50.863 50.105 49.368 48.651 47.954 47.276 46.617 45.975 45.352 44.746 44.157 43.585 153.744 140.523 129.310 119.686 111.336 104.019 97.553 91.795 86.631 81.971 77.742 73.886 70.355 67.107 64.111 58.765 57.787 56.836 55.912 55.013 54.139 53.289 52.463 51.658 50.876 50.115 49.374 48.654 47.953 47.271 46.608 45.963 45.335 44.725 44.132 43.557 154.076 140.832 129.598 119.957 111.592 104.264 97.790 92.026 86.858 82.198 77.971 74.118 70.590 67.347 64.355 59.014 58.036 57.085 56.160 55.259 54.383 53.529 52.697 51.886 51.095 50.324 49.571 48.837 48.121 47.421 46.738 46.072 45.421 44.785 44.164 43.557 154.391 141.127 129.874 120.217 111.838 104.498 98.015 92.244 87.072 82.409 78.181 74.329 70.803 67.563 64.574 59.240 58.264 57.314 56.390 55.491 54.616 53.763 52.932 52.122 51.332 50.562 49.809 49.075 48.358 47.657 46.972 46.303 45.648 45.008 44.382 43.769 154.694 141.412 130.140 120.467 112.074 104.723 98.230 92.452 87.274 82.608 78.378 74.525 71.000 67.761 64.774 59.446 58.471 57.522 56.600 55.702 54.828 53.977 53.148 52.339 51.551 50.782 50.031 49.298 48.583 47.883 47.200 46.532 45.878 45.239 44.613 44.001 154.986 141.687 130.399 120.710 112.304 104.941 98.438 92.652 87.469 82.798 78.565 74.710 71.184 67.946 64.960 59.635 58.661 57.714 56.792 55.896 55.023 54.173 53.345 52.538 51.751 50.983 50.234 49.503 48.789 48.091 47.409 46.743 46.091 45.453 44.829 44.218 155.271 141.956 130.651 120.947 112.527 105.153 98.641 92.847 87.657 82.980 78.744 74.887 71.360 68.121 65.135 59.812 58.838 57.892 56.971 56.075 55.203 54.354 53.527 52.721 51.935 51.169 50.421 49.691 48.978 48.282 47.601 46.936 46.286 45.650 45.027 44.418 155.549 142.220 130.898 121.178 112.746 105.361 98.839 93.036 87.840 83.158 78.917 75.057 71.528 68.287 65.301 59.979 59.005 58.059 57.139 56.244 55.372 54.524 53.697 52.892 52.107 51.341 50.594 49.865 49.153 48.458 47.778 47.114 46.465 45.830 45.209 44.601 155.822 142.479 131.141 121.406 112.961 105.564 99.033 93.222 88.018 83.331 79.085 75.222 71.690 68.448 65.460 60.137 59.164 58.217 57.297 56.402 55.531 54.683 53.857 53.052 52.267 51.502 50.756 50.027 49.316 48.622 47.943 47.280 46.632 45.998 45.377 44.770 99999.999 142.734 131.380 121.631 113.172 105.765 99.223 93.404 88.193 83.500 79.249 75.382 71.847 68.602 65.613 60.288 59.315 58.369 57.448 56.553 55.682 54.834 54.009 53.204 52.419 51.655 50.908 50.180 49.470 48.775 48.097 47.435 46.787 46.154 45.534 44.928 chalcedony SiO2 P-T:All Wt.(g/mol) = 60.080 V(cc/mol) = 22.690 D(g/cc) = 2.648 Ref: WH77 2 1.000 7 -2.000 2 -3.912 -3.516 -3.230 -3.002 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.912 -3.516 -3.230 -3.002 -2.811 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.912 -3.516 -3.230 -3.002 -2.811 -2.645 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-4.464 -3.788 -3.369 -3.060 -2.813 -2.604 -2.421 -2.258 -2.111 -1.976 -1.852 -1.737 -1.630 -1.529 -1.435 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.669 -3.926 -3.472 -3.142 -2.879 -2.658 -2.465 -2.294 -2.139 -1.998 -1.868 -1.747 -1.634 -1.529 -1.430 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.893 -4.081 -3.591 -3.238 -2.958 -2.724 -2.521 -2.342 -2.179 -2.031 -1.895 -1.768 -1.650 -1.540 -1.435 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.133 -4.251 -3.724 -3.347 -3.050 -2.802 -2.588 -2.399 -2.229 -2.074 -1.931 -1.799 -1.675 -1.560 -1.451 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.387 -4.433 -3.868 -3.466 -3.151 -2.889 -2.664 -2.466 -2.287 -2.125 -1.976 -1.837 -1.708 -1.588 -1.474 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.626 -4.022 -3.594 -3.261 -2.985 -2.748 -2.540 -2.353 -2.183 -2.027 -1.883 -1.748 -1.623 -1.504 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 chalcocite Cu2S P-T:All Wt.(g/mol) = 159.140 V(cc/mol) = 27.490 D(g/cc) = 5.789 Ref: RSH94/Shock07 3 2.000 16 1.000 6 -1.000 1 -38.639 -35.241 -32.391 -29.966 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -38.639 -35.241 -32.391 -29.966 -27.885 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -38.638 -35.241 -32.390 -29.966 -27.884 -26.115 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 -38.365 -35.015 -32.185 -29.769 -27.687 -25.911 -24.368 -23.018 -21.833 -20.792 -19.877 -19.074 -18.373 -17.767 -17.257 -16.366 -16.235 -16.119 -16.017 -15.931 -15.864 -15.819 -15.798 -15.807 -15.848 -15.923 -16.030 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -38.349 -35.001 -32.172 -29.756 -27.674 -25.898 -24.354 -23.002 -21.815 -20.772 -19.854 -19.047 -18.339 -17.723 -17.198 -16.305 -16.169 -16.046 -15.936 -15.840 -15.760 -15.697 -15.653 -15.630 -15.629 -15.654 -15.702 -15.773 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -38.333 -34.987 -32.159 -29.743 -27.662 -25.885 -24.340 -22.987 -21.798 -20.752 -19.831 -19.020 -18.307 -17.683 -17.144 -16.248 -16.107 -15.979 -15.862 -15.758 -15.669 -15.593 -15.533 -15.490 -15.463 -15.456 -15.466 -15.495 -15.539 -15.596 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -38.317 -34.973 -32.146 -29.731 -27.649 -25.872 -24.326 -22.972 -21.782 -20.734 -19.810 -18.995 -18.277 -17.646 -17.097 -16.194 -16.049 -15.916 -15.794 -15.683 -15.586 -15.501 -15.430 -15.372 -15.328 -15.299 -15.285 -15.285 -15.298 -15.322 -15.355 99999.999 99999.999 99999.999 99999.999 99999.999 -38.302 -34.960 -32.134 -29.719 -27.637 -25.860 -24.313 -22.957 -21.766 -20.715 -19.789 -18.971 -18.248 -17.612 -17.055 -16.143 -15.995 -15.857 -15.730 -15.614 -15.510 -15.418 -15.338 -15.269 -15.213 -15.169 -15.137 -15.117 -15.108 -15.109 -15.118 -15.132 -15.150 99999.999 99999.999 99999.999 -38.287 -34.948 -32.122 -29.707 -27.625 -25.847 -24.300 -22.943 -21.750 -20.698 -19.768 -18.947 -18.221 -17.580 -17.016 -16.095 -15.943 -15.801 -15.670 -15.550 -15.440 -15.342 -15.254 -15.177 -15.111 -15.056 -15.011 -14.977 -14.952 -14.936 -14.927 -14.923 -14.923 -14.924 99999.999 99999.999 -38.273 -34.935 -32.110 -29.696 -27.614 -25.835 -24.287 -22.929 -21.734 -20.680 -19.749 -18.925 -18.195 -17.550 -16.981 -16.049 -15.894 -15.749 -15.614 -15.489 -15.375 -15.271 -15.178 -15.094 -15.020 -14.956 -14.901 -14.856 -14.819 -14.790 -14.767 -14.750 -14.736 -14.725 -14.714 -14.702 -38.260 -34.923 -32.098 -29.684 -27.602 -25.823 -24.274 -22.916 -21.719 -20.663 -19.729 -18.903 -18.170 -17.521 -16.948 -16.005 -15.847 -15.699 -15.560 -15.432 -15.313 -15.205 -15.106 -15.017 -14.936 -14.865 -14.803 -14.749 -14.702 -14.663 -14.630 -14.602 -14.578 -14.556 -14.536 -14.515 -38.148 -34.818 -31.997 -29.584 -27.500 -25.717 -24.161 -22.793 -21.584 -20.512 -19.560 -18.711 -17.953 -17.275 -16.669 -15.644 -15.466 -15.297 -15.135 -14.982 -14.837 -14.700 -14.571 -14.448 -14.333 -14.224 -14.122 -14.025 -13.935 -13.850 -13.771 -13.697 -13.627 -13.561 -13.499 -13.441 -38.073 -34.739 -31.917 -29.502 -27.415 -25.628 -24.066 -22.691 -21.472 -20.388 -19.421 -18.556 -17.780 -17.082 -16.453 -15.375 -15.185 -15.003 -14.828 -14.661 -14.502 -14.350 -14.204 -14.065 -13.933 -13.806 -13.685 -13.570 -13.460 -13.356 -13.256 -13.162 -13.072 -12.987 -12.906 -12.829 -38.027 -34.681 -31.853 -29.434 -27.344 -25.553 -23.986 -22.604 -21.377 -20.284 -19.306 -18.428 -17.637 -16.923 -16.277 -15.161 -14.962 -14.771 -14.588 -14.411 -14.242 -14.080 -13.924 -13.774 -13.630 -13.492 -13.359 -13.232 -13.110 -12.993 -12.881 -12.773 -12.671 -12.573 -12.479 -12.389 -38.004 -34.640 -31.804 -29.379 -27.284 -25.489 -23.917 -22.529 -21.296 -20.195 -19.207 -18.318 -17.516 -16.790 -16.130 -14.983 -14.778 -14.581 -14.390 -14.207 -14.030 -13.861 -13.697 -13.539 -13.387 -13.241 -13.100 -12.964 -12.833 -12.707 -12.586 -12.469 -12.357 -12.249 -12.146 -12.047 -38.000 -34.612 -31.765 -29.334 -27.234 -25.434 -23.858 -22.465 -21.225 -20.117 -19.122 -18.225 -17.412 -16.675 -16.005 -14.833 -14.623 -14.420 -14.224 -14.035 -13.853 -13.677 -13.508 -13.344 -13.186 -13.033 -12.886 -12.743 -12.606 -12.473 -12.345 -12.221 -12.102 -11.987 -11.876 -11.770 -38.012 -34.596 -31.736 -29.298 -27.192 -25.387 -23.806 -22.408 -21.163 -20.050 -19.048 -18.143 -17.322 -16.576 -15.896 -14.704 -14.490 -14.282 -14.082 -13.888 -13.701 -13.521 -13.347 -13.178 -13.015 -12.857 -12.705 -12.557 -12.414 -12.276 -12.143 -12.013 -11.889 -11.768 -11.652 -11.539 -38.036 -34.589 -31.716 -29.269 -27.157 -25.347 -23.761 -22.358 -21.109 -19.990 -18.982 -18.070 -17.243 -16.489 -15.801 -14.592 -14.374 -14.163 -13.958 -13.761 -13.570 -13.386 -13.208 -13.035 -12.868 -12.706 -12.549 -12.397 -12.250 -12.108 -11.970 -11.836 -11.707 -11.582 -11.461 -11.344 99999.999 -34.590 -31.702 -29.246 -27.128 -25.312 -23.721 -22.314 -21.060 -19.936 -18.923 -18.006 -17.173 -16.413 -15.717 -14.493 -14.271 -14.057 -13.850 -13.649 -13.455 -13.268 -13.086 -12.910 -12.739 -12.574 -12.414 -12.258 -12.108 -11.962 -11.820 -11.683 -11.550 -11.422 -11.297 -11.176 chalcocite Cu2S P-T:All Wt.(g/mol) = 159.140 V(cc/mol) = 27.490 D(g/cc) = 5.789 Ref: RSH94/Shock07 3 2.000 16 1.000 4 -2.000 31 113.460 103.075 94.049 86.147 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.460 103.075 94.049 86.147 79.164 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.462 103.078 94.051 86.149 79.166 72.902 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.467 103.081 94.054 86.153 79.170 72.906 67.255 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.474 103.088 94.061 86.159 79.175 72.912 67.261 62.120 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.486 103.099 94.071 86.168 79.185 72.921 67.271 62.130 57.409 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.503 103.115 94.085 86.183 79.198 72.935 67.285 62.145 57.425 53.043 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.528 103.137 94.107 86.203 79.218 72.954 67.305 62.166 57.447 53.068 48.950 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.562 103.169 94.136 86.231 79.246 72.981 67.332 62.195 57.478 53.103 48.991 45.056 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.608 103.210 94.175 86.268 79.282 73.017 67.369 62.233 57.519 53.149 49.046 45.128 41.286 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.668 103.265 94.226 86.317 79.329 73.064 67.417 62.282 57.572 53.208 49.116 45.217 41.415 37.530 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.744 103.334 94.291 86.379 79.390 73.124 67.477 62.345 57.639 53.283 49.204 45.328 41.570 37.785 33.510 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.803 103.388 94.342 86.427 79.436 73.170 67.524 62.393 57.691 53.339 49.270 45.411 41.682 37.961 33.907 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.886 103.464 94.413 86.495 79.503 73.236 67.590 62.462 57.763 53.419 49.362 45.525 41.835 38.188 34.338 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.969 103.540 94.484 86.563 79.568 73.301 67.655 62.529 57.834 53.497 49.451 45.633 41.977 38.393 34.687 25.485 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.051 103.615 94.554 86.630 79.633 73.365 67.720 62.595 57.904 53.573 49.537 45.736 42.110 38.580 34.988 27.934 25.599 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.131 103.689 94.623 86.696 79.697 73.428 67.783 62.660 57.973 53.647 49.620 45.836 42.235 38.751 35.253 28.682 27.016 25.031 22.507 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.211 103.762 94.692 86.761 79.760 73.490 67.846 62.725 58.040 53.719 49.702 45.931 42.354 38.909 35.490 29.141 27.686 26.103 24.313 22.221 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.291 103.834 94.760 86.826 79.823 73.552 67.908 62.788 58.106 53.790 49.780 46.022 42.466 39.056 35.702 29.485 28.134 26.719 25.206 23.549 21.702 19.637 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.369 103.906 94.827 86.890 79.885 73.613 67.969 62.850 58.171 53.860 49.857 46.111 42.572 39.192 35.895 29.764 28.477 27.155 25.779 24.327 22.772 21.089 19.267 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.446 103.977 94.894 86.953 79.946 73.673 68.029 62.912 58.235 53.928 49.932 46.196 42.673 39.319 36.069 30.002 28.759 27.497 26.204 24.867 23.469 21.997 20.437 18.785 17.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.523 104.048 94.960 87.016 80.007 73.733 68.089 62.972 58.298 53.995 50.005 46.278 42.770 39.437 36.227 30.212 29.002 27.781 26.544 25.280 23.979 22.633 21.231 19.769 18.245 16.667 15.051 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.599 104.118 95.025 87.079 80.067 73.792 68.148 63.032 58.360 54.060 50.076 46.357 42.862 39.548 36.371 30.401 29.216 28.027 26.829 25.616 24.381 23.117 21.819 20.480 19.099 17.677 16.220 14.741 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.674 104.187 95.090 87.140 80.127 73.850 68.206 63.091 58.421 54.125 50.146 46.434 42.949 39.652 36.502 30.574 29.409 28.245 27.077 25.902 24.714 23.508 22.280 21.027 19.744 18.433 17.095 15.737 14.367 12.996 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.749 104.255 95.154 87.202 80.186 73.908 68.264 63.150 58.481 54.188 50.214 46.509 43.034 39.751 36.623 30.733 29.585 28.441 27.298 26.152 25.000 23.837 22.660 21.468 20.256 19.025 17.775 16.510 15.233 13.953 12.677 99999.999 99999.999 99999.999 99999.999 99999.999 114.823 104.323 95.218 87.262 80.245 73.966 68.321 63.207 58.541 54.251 50.280 46.582 43.115 39.844 36.734 30.882 29.748 28.621 27.497 26.375 25.250 24.121 22.984 21.837 20.679 19.507 18.324 17.129 15.926 14.719 13.514 12.318 11.137 99999.999 99999.999 99999.999 114.896 104.391 95.281 87.322 80.303 74.022 68.377 63.264 58.599 54.312 50.346 46.653 43.193 39.932 36.837 31.021 29.899 28.786 27.680 26.577 25.475 24.372 23.266 22.155 21.037 19.912 18.779 17.639 16.494 15.346 14.200 13.061 11.932 10.821 99999.999 99999.999 114.969 104.458 95.344 87.382 80.360 74.079 68.433 63.321 58.657 54.372 50.410 46.722 43.269 40.017 36.934 31.153 30.042 28.941 27.848 26.762 25.679 24.597 23.516 22.434 21.349 20.260 19.168 18.071 16.972 15.872 14.774 13.681 12.598 11.528 10.476 9.446 115.041 104.524 95.406 87.441 80.417 74.134 68.488 63.377 58.714 54.432 50.473 46.790 43.343 40.099 37.026 31.278 30.176 29.086 28.005 26.933 25.866 24.803 23.743 22.684 21.625 20.566 19.505 18.444 17.382 16.321 15.262 14.209 13.165 12.131 11.113 10.112 115.729 105.160 96.003 88.009 80.963 74.667 69.015 63.904 59.252 54.987 51.054 47.407 44.006 40.820 37.821 32.285 31.240 30.213 29.202 28.207 27.226 26.259 25.304 24.361 23.429 22.508 21.597 20.695 19.802 18.919 18.044 17.178 16.321 15.473 14.634 13.804 116.368 105.754 96.562 88.539 81.473 75.162 69.501 64.388 59.739 55.484 51.567 47.942 44.570 41.420 38.464 33.042 32.025 31.028 30.051 29.091 28.147 27.220 26.307 25.410 24.526 23.656 22.799 21.953 21.120 20.297 19.486 18.685 17.894 17.113 16.342 15.581 116.969 106.315 97.089 89.040 81.953 75.627 69.956 64.838 60.188 55.938 52.031 48.421 45.069 41.942 39.014 33.665 32.666 31.688 30.730 29.790 28.869 27.964 27.076 26.204 25.347 24.505 23.676 22.861 22.059 21.269 20.490 19.724 18.968 18.223 17.488 16.763 117.538 106.849 97.591 89.517 82.410 76.068 70.386 65.261 60.609 56.360 52.459 48.858 45.519 42.409 39.501 34.203 33.216 32.250 31.305 30.379 29.472 28.582 27.710 26.854 26.015 25.190 24.380 23.584 22.801 22.031 21.274 20.529 19.795 19.072 18.359 17.657 118.083 107.360 98.073 89.974 82.847 76.490 70.796 65.663 61.007 56.757 52.858 49.263 45.933 42.835 39.942 34.680 33.701 32.744 31.809 30.893 29.996 29.117 28.256 27.411 26.583 25.771 24.974 24.191 23.422 22.666 21.923 21.192 20.473 19.765 19.068 18.382 118.607 107.853 98.536 90.413 83.267 76.894 71.188 66.047 61.385 57.133 53.234 49.643 46.318 43.229 40.346 35.111 34.139 33.189 32.260 31.352 30.462 29.591 28.738 27.902 27.083 26.279 25.491 24.718 23.958 23.212 22.480 21.759 21.051 20.354 19.668 18.993 119.114 108.330 98.985 90.838 83.673 77.285 71.567 66.416 61.748 57.492 53.592 50.001 46.680 43.597 40.722 35.507 34.540 33.594 32.671 31.768 30.884 30.019 29.172 28.342 27.529 26.733 25.952 25.185 24.433 23.695 22.969 22.257 21.556 20.867 20.190 19.523 99999.999 108.795 99.421 91.251 84.067 77.663 71.933 66.772 62.097 57.836 53.934 50.343 47.024 43.943 41.074 35.874 34.910 33.969 33.049 32.151 31.271 30.410 29.568 28.743 27.936 27.144 26.368 25.607 24.861 24.128 23.408 22.702 22.007 21.324 20.653 19.992 claudetite As2O3 P-T:All Wt.(g/mol) = 197.810 V(cc/mol) = 47.260 D(g/cc) = 4.186 Ref: Bess05 3 2.000 1 -3.000 2 2.000 25 -21.452 -19.949 -18.657 -17.550 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 -21.429 -19.939 -18.652 -17.546 -16.595 -15.775 -15.070 -14.465 -13.952 -13.523 -13.182 -12.936 -12.814 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.419 -19.935 -18.650 -17.544 -16.592 -15.772 -15.066 -14.459 -13.943 -13.511 -13.164 -12.909 -12.769 -12.816 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -21.407 -19.929 -18.646 -17.541 -16.589 -15.768 -15.060 -14.451 -13.932 -13.496 -13.142 -12.876 -12.716 -12.711 -13.098 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-11.777 -11.835 -11.913 -12.013 -12.136 -12.283 -12.456 -12.652 -12.873 -13.113 -13.370 -13.640 -13.916 99999.999 99999.999 99999.999 99999.999 99999.999 -21.211 -19.824 -18.572 -17.476 -16.520 -15.688 -14.962 -14.328 -13.776 -13.297 -12.883 -12.531 -12.235 -11.996 -11.815 -11.637 -11.637 -11.649 -11.677 -11.720 -11.779 -11.857 -11.954 -12.072 -12.210 -12.369 -12.549 -12.747 -12.961 -13.188 -13.424 -13.666 -13.910 99999.999 99999.999 99999.999 -21.196 -19.815 -18.565 -17.470 -16.514 -15.681 -14.954 -14.319 -13.765 -13.284 -12.868 -12.511 -12.212 -11.967 -11.778 -11.576 -11.567 -11.571 -11.587 -11.618 -11.663 -11.723 -11.800 -11.894 -12.006 -12.136 -12.283 -12.447 -12.626 -12.818 -13.020 -13.229 -13.442 -13.657 99999.999 99999.999 -21.182 -19.806 -18.558 -17.463 -16.508 -15.674 -14.946 -14.310 -13.755 -13.271 -12.852 -12.493 -12.189 -11.939 -11.743 -11.518 -11.503 -11.499 -11.507 -11.527 -11.559 -11.606 -11.666 -11.742 -11.833 -11.939 -12.061 -12.197 -12.347 -12.509 -12.682 -12.862 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19.896 17.951 16.327 14.954 13.778 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.896 17.952 16.328 14.954 13.778 12.759 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.897 17.952 16.328 14.954 13.778 12.760 11.868 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.898 17.953 16.329 14.955 13.779 12.761 11.869 11.080 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.900 17.955 16.330 14.957 13.781 12.762 11.870 11.081 10.377 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.902 17.957 16.332 14.959 13.782 12.764 11.872 11.083 10.379 9.743 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.906 17.960 16.335 14.961 13.785 12.767 11.875 11.086 10.382 9.747 9.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.910 17.964 16.339 14.965 13.789 12.770 11.879 11.090 10.387 9.752 9.172 8.635 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.917 17.970 16.344 14.970 13.794 12.775 11.884 11.096 10.392 9.758 9.179 8.644 8.150 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.925 17.977 16.351 14.977 13.800 12.781 11.890 11.103 10.400 9.767 9.189 8.656 8.162 7.726 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.935 17.987 16.360 14.985 13.808 12.789 11.899 11.111 10.409 9.777 9.201 8.671 8.180 7.733 7.427 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.943 17.994 16.366 14.991 13.814 12.796 11.905 11.118 10.416 9.785 9.211 8.683 8.194 7.744 7.355 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.954 18.004 16.376 15.000 13.823 12.804 11.914 11.127 10.426 9.796 9.224 8.699 8.215 7.766 7.338 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.965 18.013 16.385 15.008 13.831 12.813 11.922 11.136 10.436 9.807 9.236 8.715 8.235 7.790 7.355 9.676 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.975 18.023 16.393 15.017 13.839 12.821 11.931 11.145 10.446 9.817 9.249 8.730 8.254 7.814 7.385 7.977 8.685 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.985 18.032 16.402 15.025 13.847 12.829 11.939 11.154 10.455 9.827 9.260 8.744 8.272 7.839 7.419 7.558 7.796 8.239 8.901 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.995 18.041 16.410 15.033 13.855 12.837 11.947 11.162 10.464 9.837 9.272 8.758 8.290 7.862 7.453 7.366 7.455 7.638 7.947 8.379 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.005 18.049 16.419 15.041 13.863 12.844 11.955 11.170 10.473 9.847 9.283 8.771 8.306 7.883 7.486 7.257 7.277 7.351 7.495 7.722 8.026 8.374 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.014 18.058 16.427 15.049 13.870 12.852 11.962 11.178 10.481 9.856 9.293 8.783 8.322 7.903 7.515 7.188 7.170 7.187 7.248 7.362 7.534 7.757 8.015 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.023 18.066 16.434 15.056 13.878 12.859 11.970 11.186 10.489 9.865 9.303 8.795 8.336 7.921 7.542 7.141 7.100 7.083 7.097 7.147 7.237 7.369 7.539 7.735 7.941 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.032 18.074 16.442 15.063 13.885 12.866 11.977 11.194 10.498 9.874 9.313 8.806 8.349 7.937 7.565 7.109 7.052 7.013 6.997 7.007 7.046 7.118 7.221 7.353 7.506 7.669 7.834 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.040 18.082 16.450 15.071 13.892 12.873 11.984 11.201 10.505 9.883 9.322 8.817 8.361 7.952 7.584 7.087 7.018 6.964 6.927 6.911 6.917 6.948 7.004 7.086 7.189 7.310 7.442 7.579 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.048 18.090 16.457 15.078 13.899 12.880 11.991 11.209 10.513 9.891 9.332 8.827 8.372 7.965 7.601 7.071 6.994 6.929 6.878 6.843 6.826 6.829 6.852 6.896 6.960 7.042 7.139 7.247 7.362 7.479 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.056 18.098 16.464 15.085 13.905 12.887 11.998 11.216 10.521 9.899 9.340 8.837 8.383 7.976 7.614 7.061 6.976 6.903 6.842 6.794 6.760 6.742 6.741 6.758 6.792 6.842 6.908 6.987 7.075 7.172 7.274 99999.999 99999.999 99999.999 99999.999 99999.999 20.064 18.105 16.471 15.091 13.912 12.893 12.005 11.223 10.528 9.907 9.349 8.846 8.392 7.986 7.625 7.054 6.964 6.884 6.815 6.757 6.711 6.678 6.659 6.655 6.666 6.691 6.731 6.784 6.848 6.922 7.004 7.091 7.185 99999.999 99999.999 99999.999 20.072 18.112 16.478 15.098 13.919 12.900 12.012 11.230 10.535 9.915 9.357 8.854 8.402 7.995 7.633 7.049 6.956 6.871 6.795 6.730 6.674 6.630 6.597 6.577 6.570 6.576 6.595 6.626 6.668 6.721 6.782 6.852 6.928 7.010 99999.999 99999.999 20.079 18.119 16.485 15.105 13.925 12.906 12.018 11.236 10.543 9.923 9.365 8.863 8.410 8.004 7.641 7.047 6.951 6.862 6.781 6.709 6.646 6.593 6.550 6.518 6.497 6.487 6.489 6.502 6.525 6.559 6.602 6.654 6.713 6.779 6.852 6.930 20.086 18.126 16.492 15.111 13.931 12.913 12.024 11.243 10.550 9.930 9.373 8.871 8.419 8.012 7.648 7.047 6.947 6.855 6.771 6.694 6.625 6.565 6.514 6.472 6.440 6.418 6.406 6.404 6.412 6.430 6.456 6.492 6.535 6.585 6.642 6.706 20.147 18.187 16.551 15.169 13.988 12.969 12.082 11.302 10.612 9.996 9.444 8.946 8.496 8.089 7.720 7.088 6.976 6.870 6.768 6.671 6.578 6.490 6.406 6.327 6.251 6.180 6.114 6.051 5.993 5.939 5.889 5.843 5.801 5.764 5.731 5.701 20.193 18.237 16.600 15.217 14.036 13.017 12.130 11.352 10.664 10.051 9.503 9.009 8.562 8.157 7.789 7.151 7.038 6.928 6.823 6.721 6.623 6.529 6.438 6.351 6.266 6.185 6.107 6.032 5.959 5.890 5.823 5.758 5.696 5.636 5.579 5.524 20.226 18.277 16.641 15.259 14.077 13.058 12.172 11.394 10.708 10.098 9.552 9.062 8.618 8.216 7.851 7.215 7.101 6.991 6.885 6.783 6.684 6.588 6.495 6.406 6.319 6.236 6.154 6.076 5.999 5.925 5.854 5.784 5.716 5.650 5.586 5.524 20.250 18.309 16.677 15.294 14.113 13.094 12.208 11.431 10.746 10.138 9.595 9.107 8.667 8.268 7.905 7.273 7.160 7.050 6.945 6.842 6.744 6.648 6.555 6.466 6.379 6.295 6.213 6.134 6.057 5.982 5.909 5.838 5.769 5.701 5.636 5.571 20.266 18.336 16.706 15.325 14.144 13.126 12.240 11.464 10.780 10.174 9.632 9.147 8.709 8.313 7.953 7.326 7.213 7.104 6.999 6.898 6.800 6.704 6.612 6.523 6.437 6.353 6.272 6.192 6.116 6.041 5.968 5.897 5.828 5.761 5.695 5.631 20.275 18.358 16.732 15.353 14.172 13.154 12.269 11.494 10.811 10.205 9.665 9.182 8.746 8.352 7.995 7.373 7.261 7.153 7.049 6.948 6.851 6.756 6.665 6.576 6.491 6.407 6.327 6.248 6.172 6.098 6.026 5.955 5.887 5.820 5.755 5.691 20.280 18.376 16.755 15.377 14.197 13.180 12.295 11.520 10.838 10.233 9.695 9.213 8.779 8.388 8.032 7.414 7.304 7.197 7.093 6.993 6.896 6.803 6.712 6.625 6.540 6.457 6.377 6.299 6.224 6.151 6.079 6.010 5.942 5.876 5.811 5.749 99999.999 18.390 16.774 15.398 14.220 13.203 12.319 11.544 10.863 10.259 9.721 9.241 8.809 8.419 8.066 7.452 7.342 7.236 7.133 7.034 6.938 6.845 6.755 6.668 6.584 6.502 6.423 6.346 6.271 6.199 6.128 6.059 5.992 5.927 5.863 5.801 cobalt Co P-T:All Wt.(g/mol) = 58.930 V(cc/mol) = 6.620 D(g/cc) = 8.902 Ref: RG97 4 -2.000 1 -0.500 31 1.000 28 1.000 2 57.921 52.531 47.937 43.982 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.921 52.531 47.937 43.982 40.540 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.921 52.531 47.938 43.983 40.541 37.514 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.923 52.533 47.939 43.984 40.542 37.515 34.828 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.925 52.535 47.941 43.986 40.544 37.517 34.830 32.424 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.929 52.538 47.944 43.989 40.547 37.520 34.833 32.427 30.254 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.934 52.543 47.949 43.994 40.551 37.524 34.838 32.432 30.259 28.279 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.942 52.551 47.956 44.000 40.557 37.531 34.844 32.438 30.266 28.287 26.465 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.953 52.561 47.966 44.009 40.566 37.539 34.853 32.448 30.276 28.298 26.478 24.783 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.968 52.574 47.978 44.021 40.578 37.551 34.865 32.460 30.289 28.312 26.494 24.803 23.213 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.987 52.592 47.995 44.037 40.593 37.566 34.880 32.475 30.305 28.330 26.515 24.829 23.245 21.747 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.011 52.614 48.016 44.057 40.613 37.585 34.899 32.495 30.326 28.353 26.541 24.861 23.286 21.792 20.393 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.029 52.631 48.032 44.072 40.627 37.600 34.914 32.510 30.342 28.370 26.561 24.885 23.316 21.830 20.390 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.056 52.656 48.055 44.094 40.649 37.621 34.935 32.532 30.365 28.394 26.589 24.919 23.359 21.884 20.440 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.082 52.680 48.077 44.116 40.670 37.641 34.955 32.553 30.387 28.418 26.615 24.951 23.400 21.938 20.509 20.345 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.107 52.704 48.100 44.137 40.690 37.661 34.976 32.574 30.408 28.442 26.642 24.982 23.439 21.990 20.582 19.182 19.310 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.133 52.727 48.122 44.158 40.711 37.681 34.996 32.594 30.430 28.464 26.667 25.012 23.476 22.039 20.653 18.920 18.724 18.671 18.743 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.157 52.750 48.144 44.179 40.731 37.701 35.015 32.614 30.450 28.486 26.692 25.040 23.512 22.085 20.720 18.818 18.520 18.292 18.151 18.083 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.182 52.773 48.165 44.200 40.750 37.721 35.035 32.634 30.471 28.508 26.715 25.068 23.545 22.128 20.782 18.773 18.429 18.128 17.880 17.689 17.545 17.415 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.206 52.796 48.186 44.220 40.770 37.740 35.054 32.653 30.491 28.529 26.739 25.094 23.577 22.167 20.839 18.754 18.385 18.048 17.746 17.484 17.263 17.074 16.901 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.230 52.818 48.208 44.240 40.789 37.759 35.073 32.672 30.511 28.550 26.761 25.120 23.606 22.204 20.890 18.750 18.366 18.007 17.674 17.372 17.101 16.861 16.646 16.445 16.245 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.254 52.840 48.228 44.260 40.808 37.777 35.091 32.691 30.530 28.571 26.783 25.144 23.635 22.238 20.936 18.754 18.361 17.988 17.637 17.309 17.007 16.731 16.479 16.247 16.029 15.817 15.604 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.277 52.862 48.249 44.279 40.827 37.796 35.110 32.710 30.549 28.591 26.805 25.168 23.661 22.270 20.976 18.764 18.364 17.982 17.619 17.275 16.953 16.652 16.372 16.113 15.871 15.643 15.423 15.208 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.300 52.884 48.269 44.299 40.846 37.814 35.128 32.728 30.568 28.610 26.826 25.191 23.687 22.299 21.012 18.777 18.373 17.984 17.613 17.258 16.922 16.604 16.305 16.025 15.762 15.514 15.280 15.055 14.838 14.627 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.323 52.905 48.289 44.318 40.864 37.832 35.146 32.746 30.587 28.630 26.846 25.213 23.710 22.325 21.044 18.793 18.385 17.992 17.615 17.253 16.906 16.577 16.264 15.968 15.688 15.423 15.173 14.935 14.708 14.491 14.282 99999.999 99999.999 99999.999 99999.999 99999.999 58.345 52.926 48.309 44.337 40.883 37.850 35.163 32.764 30.605 28.649 26.866 25.234 23.733 22.350 21.072 18.810 18.400 18.004 17.622 17.254 16.901 16.563 16.240 15.932 15.639 15.360 15.096 14.845 14.607 14.379 14.162 13.954 13.757 99999.999 99999.999 99999.999 58.368 52.947 48.329 44.355 40.901 37.867 35.181 32.781 30.623 28.667 26.886 25.254 23.755 22.373 21.097 18.829 18.417 18.018 17.633 17.261 16.903 16.558 16.228 15.911 15.607 15.318 15.042 14.780 14.530 14.291 14.064 13.848 13.642 13.447 99999.999 99999.999 58.390 52.968 48.348 44.374 40.918 37.885 35.198 32.799 30.640 28.686 26.905 25.275 23.776 22.395 21.120 18.848 18.434 18.034 17.647 17.272 16.910 16.560 16.224 15.900 15.589 15.291 15.006 14.733 14.473 14.225 13.988 13.762 13.547 13.343 13.149 12.967 58.411 52.988 48.368 44.392 40.936 37.902 35.215 32.816 30.658 28.704 26.924 25.294 23.797 22.417 21.141 18.868 18.453 18.051 17.662 17.285 16.920 16.567 16.226 15.897 15.580 15.276 14.983 14.702 14.433 14.175 13.929 13.694 13.470 13.257 13.055 12.863 58.617 53.182 48.551 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covellite CuS P-T:All Wt.(g/mol) = 95.610 V(cc/mol) = 20.440 D(g/cc) = 4.678 Ref: Sack00 5 0.125 1 1.000 16 0.875 6 0.125 4 -0.500 2 -27.033 -24.735 -22.843 -21.263 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -27.033 -24.735 -22.843 -21.263 -19.930 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -27.033 -24.734 -22.842 -21.262 -19.930 -18.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-18.135 -17.125 -16.242 -15.466 -14.781 -14.172 -13.631 -13.148 -12.717 -12.330 -11.674 -11.559 -11.449 -11.344 -11.243 -11.147 -11.055 -10.967 -10.883 -10.803 -10.727 -10.654 -10.585 -10.519 -10.456 -10.397 -10.341 -10.287 -10.237 -10.190 -10.145 -26.313 -24.066 -22.192 -20.608 -19.255 -18.088 -17.075 -16.188 -15.408 -14.718 -14.105 -13.558 -13.068 -12.629 -12.235 -11.562 -11.444 -11.330 -11.221 -11.117 -11.017 -10.921 -10.830 -10.742 -10.658 -10.577 -10.500 -10.427 -10.357 -10.290 -10.227 -10.166 -10.108 -10.054 -10.002 -9.953 99999.999 -24.041 -22.161 -20.573 -19.216 -18.046 -17.029 -16.139 -15.355 -14.661 -14.043 -13.491 -12.996 -12.551 -12.150 -11.463 -11.342 -11.225 -11.113 -11.006 -10.903 -10.804 -10.709 -10.617 -10.530 -10.446 -10.366 -10.289 -10.216 -10.146 -10.079 -10.015 -9.953 -9.895 -9.840 -9.787 covellite CuS P-T:All Wt.(g/mol) = 95.610 V(cc/mol) = 20.440 D(g/cc) = 4.678 Ref: Sack00 5 1.000 1 1.000 16 -1.750 31 1.000 4 -0.500 2 106.053 96.293 87.792 80.337 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 106.053 96.293 87.792 80.337 73.737 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 106.055 96.294 87.793 80.338 73.739 67.840 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 106.059 96.298 87.796 80.341 73.742 67.843 62.521 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 106.065 96.303 87.802 80.346 73.747 67.848 62.526 57.680 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 106.075 96.312 87.810 80.355 73.755 67.856 62.534 57.689 53.236 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 106.090 96.326 87.823 80.367 73.767 67.868 62.546 57.702 53.250 49.115 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 106.111 96.345 87.841 80.384 73.784 67.885 62.564 57.720 53.269 49.137 45.251 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 106.141 96.372 87.866 80.408 73.807 67.908 62.587 57.745 53.296 49.168 45.288 41.575 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 106.180 96.408 87.899 80.440 73.838 67.939 62.619 57.778 53.332 49.209 45.336 41.639 38.016 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 106.231 96.454 87.943 80.481 73.879 67.979 62.660 57.821 53.379 49.261 45.398 41.719 38.132 34.470 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 106.296 96.513 87.998 80.535 73.930 68.031 62.713 57.876 53.437 49.326 45.476 41.818 38.272 34.704 30.671 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 106.347 96.559 88.041 80.576 73.970 68.071 62.753 57.918 53.482 49.376 45.535 41.892 38.373 34.864 31.046 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 106.419 96.625 88.103 80.634 74.027 68.127 62.811 57.977 53.546 49.447 45.616 41.994 38.510 35.070 31.445 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 106.490 96.690 88.163 80.692 74.084 68.183 62.867 58.036 53.608 49.515 45.695 42.090 38.638 35.255 31.765 22.764 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 106.561 96.754 88.223 80.750 74.140 68.238 62.923 58.094 53.669 49.582 45.772 42.182 38.757 35.423 32.039 25.225 22.942 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 106.631 96.818 88.283 80.807 74.195 68.293 62.978 58.150 53.729 49.648 45.846 42.271 38.869 35.578 32.279 25.966 24.356 22.428 19.980 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 106.700 96.881 88.342 80.863 74.250 68.347 63.032 58.206 53.788 49.711 45.918 42.356 38.975 35.720 32.492 26.414 25.017 23.491 21.760 19.737 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 106.769 96.943 88.401 80.919 74.304 68.401 63.086 58.262 53.846 49.774 45.988 42.437 39.076 35.852 32.684 26.745 25.452 24.095 22.638 21.041 19.260 17.277 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 106.837 97.005 88.459 80.974 74.357 68.454 63.139 58.316 53.904 49.835 46.056 42.516 39.171 35.974 32.857 27.011 25.783 24.518 23.199 21.804 20.308 18.689 16.940 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 106.905 97.067 88.516 81.029 74.410 68.506 63.192 58.370 53.960 49.895 46.122 42.592 39.262 36.088 33.014 27.237 26.052 24.847 23.609 22.328 20.988 19.574 18.076 16.491 14.830 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 106.972 97.128 88.573 81.083 74.463 68.558 63.244 58.423 54.015 49.954 46.187 42.665 39.348 36.195 33.156 27.435 26.282 25.118 23.936 22.727 21.483 20.193 18.849 17.446 15.985 14.474 12.928 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 107.039 97.189 88.630 81.137 74.515 68.609 63.295 58.476 54.070 50.012 46.250 42.736 39.430 36.295 33.286 27.612 26.484 25.351 24.209 23.050 21.870 20.661 19.418 18.135 16.811 15.449 14.054 12.638 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 107.105 97.249 88.686 81.191 74.567 68.660 63.346 58.527 54.123 50.069 46.312 42.804 39.509 36.389 33.405 27.773 26.665 25.557 24.444 23.323 22.189 21.037 19.864 18.664 17.436 16.179 14.898 13.597 12.285 10.972 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 107.170 97.309 88.742 81.244 74.619 68.711 63.397 58.579 54.176 50.125 46.372 42.871 39.585 36.477 33.514 27.922 26.830 25.741 24.652 23.560 22.461 21.352 20.229 19.089 17.930 16.751 15.554 14.342 13.119 11.892 10.670 99999.999 99999.999 99999.999 99999.999 99999.999 107.235 97.368 88.798 81.297 74.669 68.760 63.447 58.629 54.229 50.181 46.431 42.936 39.657 36.561 33.614 28.060 26.981 25.909 24.840 23.771 22.699 21.622 20.538 19.443 18.336 17.216 16.083 14.938 13.786 12.630 11.475 10.328 9.195 99999.999 99999.999 99999.999 107.300 97.427 88.853 81.349 74.720 68.810 63.496 58.679 54.280 50.235 46.489 42.999 39.728 36.641 33.708 28.189 27.122 26.064 25.011 23.961 22.911 21.861 20.806 19.746 18.679 17.604 16.521 15.430 14.333 13.234 12.135 11.042 9.960 8.892 99999.999 99999.999 107.364 97.486 88.907 81.401 74.770 68.859 63.545 58.729 54.331 50.288 46.546 43.061 39.796 36.717 33.796 28.310 27.254 26.208 25.168 24.134 23.103 22.074 21.044 20.012 18.977 17.937 16.893 15.844 14.792 13.739 12.687 11.640 10.601 9.574 8.563 7.571 107.428 97.544 88.962 81.453 74.820 68.908 63.593 58.778 54.382 50.341 46.602 43.122 39.862 36.791 33.880 28.425 27.379 26.342 25.315 24.294 23.279 22.267 21.258 20.249 19.239 18.228 17.216 16.201 15.186 14.170 13.157 12.148 11.146 10.154 9.176 8.214 108.043 98.105 89.486 81.950 75.299 69.375 64.056 59.243 54.857 50.833 47.119 43.672 40.456 37.441 34.599 29.348 28.355 27.380 26.420 25.474 24.542 23.623 22.715 21.818 20.932 20.055 19.188 18.329 17.479 16.637 15.803 14.977 14.158 13.348 12.547 11.754 108.622 98.635 89.980 82.418 75.748 69.812 64.486 59.671 55.289 51.275 47.577 44.151 40.962 37.981 35.180 30.037 29.071 28.125 27.195 26.283 25.387 24.506 23.639 22.786 21.945 21.118 20.302 19.497 18.704 17.920 17.147 16.384 15.630 14.886 14.150 13.424 109.173 99.140 90.452 82.864 76.175 70.225 64.890 60.072 55.690 51.681 47.992 44.581 41.410 38.451 35.677 30.603 29.654 28.725 27.814 26.921 26.045 25.186 24.342 23.513 22.698 21.897 21.108 20.332 19.568 18.816 18.075 17.344 16.624 15.913 15.212 14.521 109.702 99.624 90.903 83.291 76.583 70.619 65.275 60.450 56.066 52.059 48.376 44.974 41.815 38.872 36.117 31.090 30.153 29.235 28.337 27.457 26.595 25.750 24.921 24.107 23.308 22.524 21.753 20.995 20.249 19.516 18.794 18.084 17.384 16.695 16.015 15.345 110.213 100.092 91.339 83.702 76.975 70.997 65.642 60.810 56.423 52.415 48.735 45.338 42.189 39.256 36.515 31.523 30.593 29.684 28.795 27.924 27.072 26.237 25.418 24.615 23.827 23.054 22.295 21.550 20.817 20.097 19.388 18.691 18.006 17.331 16.666 16.011 110.709 100.546 91.761 84.100 77.354 71.362 65.995 61.156 56.764 52.754 49.074 45.681 42.537 39.613 36.881 31.915 30.991 30.088 29.205 28.342 27.496 26.668 25.857 25.062 24.283 23.518 22.768 22.031 21.307 20.596 19.898 19.210 18.535 17.870 17.215 16.571 111.193 100.988 92.171 84.486 77.722 71.714 66.337 61.489 57.091 53.078 49.397 46.005 42.865 39.946 37.222 32.274 31.355 30.457 29.579 28.720 27.880 27.058 26.252 25.463 24.690 23.932 23.188 22.458 21.741 21.037 20.345 19.665 18.997 18.340 17.693 17.056 99999.999 101.421 92.572 84.862 78.079 72.057 66.668 61.811 57.407 53.390 49.707 46.314 43.176 40.260 37.542 32.608 31.693 30.798 29.924 29.069 28.233 27.415 26.614 25.829 25.061 24.307 23.568 22.843 22.131 21.433 20.746 20.072 19.409 18.757 18.116 17.485 dawsonite NaAlCO3(OH)2 P-T:All Wt.(g/mol) = 143.995 V(cc/mol) = 59.300 D(g/cc) = 2.428 Ref: RH95 5 1.000 8 1.000 13 1.000 5 2.000 2 -3.000 1 5.541 4.321 3.281 2.401 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.541 4.321 3.281 2.401 1.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.542 4.322 3.282 2.402 1.650 0.994 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.544 4.323 3.284 2.404 1.651 0.996 0.411 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.548 4.327 3.287 2.407 1.654 0.999 0.414 -0.120 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.554 4.332 3.292 2.411 1.659 1.003 0.419 -0.114 -0.616 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.564 4.340 3.299 2.418 1.665 1.010 0.426 -0.107 -0.607 -1.096 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.577 4.351 3.309 2.428 1.675 1.020 0.437 -0.095 -0.595 -1.082 -1.581 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.595 4.366 3.323 2.441 1.688 1.033 0.451 -0.080 -0.578 -1.061 -1.556 -2.090 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.619 4.387 3.342 2.459 1.705 1.051 0.470 -0.060 -0.555 -1.035 -1.523 -2.046 -2.631 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.650 4.413 3.366 2.482 1.728 1.074 0.494 -0.033 -0.525 -1.000 -1.480 -1.990 -2.557 -3.192 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.690 4.447 3.396 2.511 1.757 1.103 0.525 0.000 -0.488 -0.957 -1.427 -1.921 -2.464 -3.081 -3.737 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.720 4.472 3.420 2.533 1.779 1.125 0.548 0.025 -0.460 -0.925 -1.387 -1.869 -2.393 -2.990 -3.733 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.762 4.509 3.453 2.565 1.810 1.157 0.581 0.061 -0.420 -0.879 -1.332 -1.797 -2.296 -2.858 -3.600 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.804 4.544 3.485 2.596 1.840 1.188 0.613 0.096 -0.382 -0.835 -1.279 -1.729 -2.204 -2.731 -3.426 1.081 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.844 4.579 3.517 2.626 1.870 1.218 0.645 0.130 -0.344 -0.792 -1.227 -1.664 -2.116 -2.609 -3.246 -1.674 -0.488 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.884 4.613 3.549 2.656 1.899 1.248 0.676 0.163 -0.308 -0.751 -1.178 -1.602 -2.034 -2.495 -3.071 -2.287 -1.866 -1.135 -0.139 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.923 4.647 3.579 2.685 1.928 1.277 0.706 0.195 -0.272 -0.710 -1.131 -1.543 -1.956 -2.388 -2.907 -2.521 -2.341 -2.018 -1.518 -0.875 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.961 4.679 3.609 2.714 1.956 1.305 0.736 0.227 -0.238 -0.671 -1.085 -1.486 -1.884 -2.290 -2.757 -2.624 -2.550 -2.398 -2.147 -1.787 -1.342 -0.890 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.998 4.712 3.639 2.742 1.984 1.333 0.765 0.258 -0.204 -0.633 -1.041 -1.433 -1.816 -2.199 -2.622 -2.666 -2.648 -2.582 -2.457 -2.260 -1.992 -1.670 -1.335 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.034 4.743 3.668 2.770 2.011 1.361 0.793 0.288 -0.171 -0.596 -0.998 -1.382 -1.753 -2.116 -2.501 -2.675 -2.690 -2.674 -2.618 -2.516 -2.361 -2.157 -1.916 -1.662 -1.426 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.070 4.774 3.697 2.797 2.038 1.388 0.821 0.318 -0.138 -0.560 -0.957 -1.334 -1.694 -2.041 -2.394 -2.665 -2.701 -2.715 -2.702 -2.656 -2.573 -2.452 -2.294 -2.109 -1.912 -1.718 -1.544 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.105 4.805 3.725 2.824 2.064 1.414 0.849 0.347 -0.106 -0.525 -0.917 -1.287 -1.638 -1.972 -2.300 -2.643 -2.693 -2.727 -2.741 -2.732 -2.695 -2.629 -2.534 -2.410 -2.266 -2.108 -1.947 -1.792 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.139 4.835 3.752 2.850 2.090 1.440 0.876 0.376 -0.075 -0.491 -0.879 -1.243 -1.587 -1.910 -2.219 -2.612 -2.673 -2.720 -2.753 -2.768 -2.762 -2.734 -2.683 -2.607 -2.510 -2.394 -2.266 -2.130 -1.992 -1.852 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.173 4.864 3.780 2.876 2.116 1.466 0.902 0.404 -0.045 -0.457 -0.841 -1.201 -1.538 -1.853 -2.148 -2.577 -2.644 -2.701 -2.747 -2.778 -2.794 -2.793 -2.773 -2.733 -2.674 -2.596 -2.502 -2.396 -2.279 -2.154 -2.023 99999.999 99999.999 99999.999 99999.999 99999.999 6.206 4.893 3.806 2.902 2.141 1.491 0.928 0.432 -0.015 -0.425 -0.805 -1.160 -1.493 -1.802 -2.087 -2.538 -2.610 -2.674 -2.729 -2.772 -2.804 -2.821 -2.824 -2.811 -2.781 -2.734 -2.671 -2.594 -2.503 -2.401 -2.288 -2.165 -2.030 99999.999 99999.999 99999.999 6.238 4.921 3.833 2.927 2.165 1.516 0.954 0.459 0.014 -0.393 -0.770 -1.121 -1.449 -1.754 -2.033 -2.497 -2.573 -2.642 -2.703 -2.755 -2.797 -2.829 -2.848 -2.854 -2.846 -2.824 -2.787 -2.736 -2.671 -2.593 -2.503 -2.400 -2.285 -2.155 99999.999 99999.999 6.269 4.949 3.859 2.952 2.190 1.541 0.979 0.485 0.042 -0.362 -0.736 -1.084 -1.408 -1.709 -1.985 -2.454 -2.532 -2.605 -2.671 -2.730 -2.780 -2.822 -2.853 -2.874 -2.883 -2.880 -2.864 -2.835 -2.793 -2.738 -2.670 -2.589 -2.495 -2.387 -2.264 -2.125 6.300 4.977 3.884 2.976 2.214 1.565 1.004 0.511 0.070 -0.331 -0.702 -1.047 -1.368 -1.666 -1.940 -2.410 -2.490 -2.566 -2.635 -2.698 -2.755 -2.804 -2.845 -2.877 -2.899 -2.911 -2.912 -2.901 -2.878 -2.843 -2.796 -2.736 -2.662 -2.576 -2.475 -2.360 6.579 5.228 4.119 3.202 2.435 1.786 1.231 0.749 0.324 -0.056 -0.402 -0.719 -1.011 -1.281 -1.531 -1.975 -2.056 -2.135 -2.211 -2.285 -2.356 -2.426 -2.493 -2.558 -2.621 -2.681 -2.739 -2.794 -2.846 -2.895 -2.940 -2.982 -3.019 -3.052 -3.081 -3.104 6.810 5.444 4.324 3.399 2.629 1.980 1.428 0.954 0.541 0.176 -0.150 -0.446 -0.715 -0.962 -1.188 -1.590 -1.664 -1.735 -1.804 -1.872 -1.939 -2.003 -2.067 -2.129 -2.191 -2.251 -2.310 -2.368 -2.426 -2.482 -2.538 -2.593 -2.647 -2.700 -2.752 -2.803 7.004 5.631 4.504 3.575 2.802 2.153 1.603 1.134 0.730 0.377 0.065 -0.213 -0.463 -0.690 -0.897 -1.259 -1.324 -1.388 -1.450 -1.510 -1.568 -1.626 -1.682 -1.737 -1.791 -1.845 -1.898 -1.950 -2.002 -2.053 -2.104 -2.155 -2.206 -2.257 -2.308 -2.359 7.169 5.796 4.666 3.733 2.957 2.308 1.761 1.296 0.898 0.554 0.254 -0.011 -0.246 -0.456 -0.645 -0.972 -1.030 -1.087 -1.141 -1.194 -1.246 -1.296 -1.345 -1.392 -1.439 -1.486 -1.531 -1.576 -1.621 -1.665 -1.709 -1.753 -1.797 -1.841 -1.886 -1.931 7.309 5.943 4.811 3.876 3.100 2.450 1.904 1.442 1.049 0.712 0.421 0.168 -0.054 -0.250 -0.425 -0.721 -0.773 -0.823 -0.871 -0.918 -0.963 -1.007 -1.049 -1.090 -1.131 -1.170 -1.209 -1.247 -1.285 -1.322 -1.359 -1.396 -1.433 -1.471 -1.508 -1.546 7.431 6.076 4.944 4.008 3.230 2.581 2.036 1.576 1.187 0.856 0.572 0.328 0.116 -0.068 -0.230 -0.499 -0.546 -0.591 -0.633 -0.674 -0.714 -0.752 -0.788 -0.824 -0.858 -0.892 -0.925 -0.957 -0.988 -1.020 -1.051 -1.082 -1.112 -1.143 -1.174 -1.205 7.537 6.196 5.066 4.129 3.351 2.702 2.158 1.701 1.314 0.987 0.710 0.473 0.270 0.095 -0.056 -0.302 -0.344 -0.384 -0.422 -0.458 -0.492 -0.525 -0.557 -0.587 -0.617 -0.645 -0.673 -0.700 -0.726 -0.752 -0.778 -0.803 -0.828 -0.854 -0.879 -0.904 99999.999 6.307 5.179 4.242 3.464 2.816 2.272 1.816 1.433 1.109 0.836 0.606 0.410 0.244 0.102 -0.125 -0.163 -0.198 -0.232 -0.264 -0.294 -0.323 -0.350 -0.376 -0.401 -0.425 -0.448 -0.471 -0.493 -0.514 -0.535 -0.556 -0.576 -0.597 -0.617 -0.638 kotulskite PdTe P-T:All Wt.(g/mol) = 234.020 V(cc/mol) = 23.400 D(g/cc) = 10.001 Ref: RG97 3 -1.000 1 1.000 39 1.000 41 -73.311 -68.140 -63.918 -60.428 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -73.311 -68.140 -63.918 -60.428 -57.516 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -73.310 -68.139 -63.917 -60.427 -57.515 -55.067 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -73.308 -68.137 -63.915 -60.425 -57.513 -55.065 -52.997 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -73.280 -68.111 -63.891 -60.402 -57.491 -55.043 -52.975 -51.221 -49.730 -48.465 -47.397 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -73.264 -68.096 -63.877 -60.389 -57.478 -55.031 -52.963 -51.208 -49.717 -48.451 -47.382 -46.489 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -73.242 -68.076 -63.858 -60.371 -57.461 -55.014 -52.946 -51.192 -49.700 -48.433 -47.363 -46.466 -45.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-63.452 -59.985 -57.090 -54.654 -52.590 -50.835 -49.338 -48.057 -46.960 -46.019 -45.208 -44.509 -43.906 -42.797 -42.595 -42.393 -42.187 -41.975 -41.753 -41.520 -41.274 -41.016 -40.748 -40.474 -40.202 -39.935 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -72.740 -67.610 -63.420 -59.955 -57.062 -54.626 -52.563 -50.808 -49.311 -48.029 -46.932 -45.989 -45.176 -44.474 -43.865 -42.788 -42.594 -42.401 -42.209 -42.013 -41.813 -41.607 -41.392 -41.168 -40.935 -40.696 -40.453 -40.209 -39.969 -39.733 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -72.705 -67.577 -63.389 -59.926 -57.033 -54.598 -52.536 -50.781 -49.284 -48.002 -46.903 -45.959 -45.145 -44.441 -43.829 -42.774 -42.586 -42.401 -42.218 -42.035 -41.850 -41.663 -41.470 -41.271 -41.066 -40.855 -40.640 -40.421 -40.202 -39.983 -39.767 99999.999 99999.999 99999.999 99999.999 99999.999 -72.670 -67.544 -63.358 -59.896 -57.005 -54.571 -52.509 -50.755 -49.257 -47.975 -46.876 -45.931 -45.116 -44.410 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-40.559 -40.408 -40.257 -40.104 -39.949 -39.794 -39.637 -72.239 -67.135 -62.971 -59.529 -56.653 -54.231 -52.177 -50.427 -48.930 -47.646 -46.542 -45.591 -44.771 -44.062 -43.448 -42.455 -42.288 -42.129 -41.980 -41.838 -41.705 -41.578 -41.458 -41.344 -41.236 -41.133 -41.036 -40.943 -40.854 -40.769 -40.688 -40.610 -40.534 -40.462 -40.391 -40.322 -71.932 -66.840 -62.691 -59.262 -56.398 -53.985 -51.938 -50.193 -48.699 -47.415 -46.309 -45.356 -44.533 -43.821 -43.205 -42.212 -42.045 -41.888 -41.741 -41.602 -41.471 -41.348 -41.232 -41.123 -41.022 -40.926 -40.837 -40.753 -40.675 -40.603 -40.535 -40.472 -40.414 -40.360 -40.310 -40.264 -71.641 -66.558 -62.422 -59.006 -56.153 -53.750 -51.711 -49.971 -48.480 -47.197 -46.092 -45.138 -44.313 -43.598 -42.980 -41.983 -41.816 -41.659 -41.511 -41.372 -41.241 -41.118 -41.002 -40.894 -40.793 -40.699 -40.611 -40.529 -40.453 -40.382 -40.317 -40.257 -40.202 -40.152 -40.107 -40.066 -71.365 -66.287 -62.163 -58.759 -55.917 -53.523 -51.491 -49.757 -48.271 -46.991 -45.887 -44.933 -44.106 -43.391 -42.771 -41.769 -41.601 -41.443 -41.295 -41.155 -41.023 -40.900 -40.784 -40.675 -40.573 -40.478 -40.390 -40.307 -40.231 -40.160 -40.095 -40.035 -39.980 -39.930 -39.885 -39.845 -71.098 -66.025 -61.913 -58.520 -55.688 -53.303 -51.279 -49.551 -48.069 -46.793 -45.691 -44.738 -43.911 -43.195 -42.574 -41.569 -41.400 -41.242 -41.092 -40.951 -40.819 -40.695 -40.578 -40.468 -40.366 -40.270 -40.180 -40.097 -40.020 -39.948 -39.882 -39.821 -39.766 -39.715 -39.669 -39.628 -70.841 -65.771 -61.668 -58.287 -55.465 -53.089 -51.073 -49.351 -47.875 -46.603 -45.503 -44.551 -43.726 -43.009 -42.387 -41.380 -41.211 -41.052 -40.901 -40.760 -40.627 -40.502 -40.384 -40.274 -40.171 -40.074 -39.984 -39.900 -39.821 -39.749 -39.682 -39.620 -39.563 -39.511 -39.464 -39.422 -70.592 -65.523 -61.430 -58.059 -55.247 -52.880 -50.871 -49.157 -47.685 -46.418 -45.322 -44.372 -43.548 -42.832 -42.210 -41.201 -41.032 -40.872 -40.721 -40.579 -40.446 -40.320 -40.202 -40.091 -39.987 -39.889 -39.798 -39.713 -39.634 -39.561 -39.493 -39.430 -39.373 -39.320 -39.272 -39.228 99999.999 -65.279 -61.196 -57.835 -55.034 -52.675 -50.674 -48.966 -47.501 -46.238 -45.145 -44.199 -43.376 -42.661 -42.040 -41.030 -40.861 -40.701 -40.550 -40.408 -40.274 -40.147 -40.029 -39.917 -39.813 -39.715 -39.623 -39.538 -39.458 -39.384 -39.316 -39.252 -39.194 -39.140 -39.091 -39.047 loellingite FeAs2 P-T:All Wt.(g/mol) = 205.690 V(cc/mol) = 27.510 D(g/cc) = 7.477 Ref: Bess05 6 -2.000 2 -1.000 4 -1.000 1 2.000 25 1.000 11 1.000 6 -2.948 -3.055 -3.029 -2.936 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.948 -3.055 -3.029 -2.936 -2.807 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.948 -3.055 -3.029 -2.936 -2.807 -2.659 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.949 -3.056 -3.030 -2.937 -2.807 -2.660 -2.506 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.949 -3.057 -3.031 -2.938 -2.808 -2.660 -2.506 -2.354 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.960 -3.071 -3.045 -2.951 -2.819 -2.669 -2.513 -2.357 -2.210 -2.077 -1.969 -1.895 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.966 -3.078 -3.052 -2.957 -2.825 -2.674 -2.516 -2.359 -2.210 -2.075 -1.963 -1.884 -1.853 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.974 -3.088 -3.062 -2.966 -2.833 -2.680 -2.520 -2.361 -2.210 -2.072 -1.955 -1.870 -1.829 -1.851 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.984 -3.100 -3.074 -2.977 -2.842 -2.688 -2.526 -2.364 -2.210 -2.068 -1.946 -1.853 -1.799 -1.805 -1.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.992 -3.109 -3.083 -2.985 -2.849 -2.694 -2.530 -2.367 -2.210 -2.065 -1.939 -1.840 -1.777 -1.770 -1.868 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.003 -3.123 -3.096 -2.997 -2.860 -2.702 -2.536 -2.370 -2.210 -2.062 -1.930 -1.823 -1.748 -1.722 -1.796 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.014 -3.136 -3.109 -3.009 -2.870 -2.710 -2.542 -2.374 -2.211 -2.059 -1.922 -1.807 -1.721 -1.677 -1.722 -0.596 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.025 -3.149 -3.122 -3.021 -2.880 -2.719 -2.548 -2.377 -2.212 -2.056 -1.914 -1.792 -1.696 -1.636 -1.653 -1.054 -0.819 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.037 -3.162 -3.135 -3.032 -2.890 -2.727 -2.554 -2.381 -2.212 -2.053 -1.907 -1.779 -1.673 -1.599 -1.588 -1.133 -1.025 -0.874 -0.711 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.049 -3.175 -3.147 -3.044 -2.900 -2.735 -2.560 -2.384 -2.213 -2.050 -1.900 -1.766 -1.652 -1.564 -1.530 -1.146 -1.076 -0.988 -0.878 -0.766 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.060 -3.188 -3.160 -3.055 -2.909 -2.743 -2.566 -2.388 -2.214 -2.048 -1.894 -1.754 -1.632 -1.533 -1.477 -1.139 -1.084 -1.020 -0.945 -0.860 -0.777 -0.716 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.072 -3.201 -3.172 -3.066 -2.919 -2.750 -2.572 -2.392 -2.215 -2.046 -1.888 -1.744 -1.614 -1.505 -1.430 -1.123 -1.074 -1.021 -0.963 -0.899 -0.830 -0.763 -0.710 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.084 -3.214 -3.184 -3.077 -2.928 -2.758 -2.578 -2.395 -2.216 -2.044 -1.883 -1.734 -1.598 -1.480 -1.389 -1.103 -1.057 -1.010 -0.960 -0.906 -0.849 -0.791 -0.735 -0.688 -0.656 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.096 -3.227 -3.196 -3.088 -2.938 -2.766 -2.583 -2.399 -2.217 -2.043 -1.878 -1.724 -1.584 -1.457 -1.352 -1.082 -1.037 -0.992 -0.946 -0.898 -0.848 -0.797 -0.746 -0.696 -0.653 -0.619 -0.596 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.108 -3.239 -3.208 -3.098 -2.947 -2.773 -2.589 -2.402 -2.218 -2.041 -1.873 -1.716 -1.570 -1.437 -1.321 -1.060 -1.016 -0.972 -0.927 -0.882 -0.837 -0.790 -0.743 -0.696 -0.651 -0.609 -0.574 -0.544 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.120 -3.252 -3.220 -3.109 -2.956 -2.780 -2.594 -2.406 -2.220 -2.040 -1.869 -1.708 -1.558 -1.419 -1.294 -1.038 -0.993 -0.949 -0.906 -0.862 -0.818 -0.775 -0.730 -0.686 -0.642 -0.600 -0.559 -0.522 -0.487 -0.455 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.132 -3.265 -3.232 -3.119 -2.965 -2.788 -2.600 -2.409 -2.221 -2.039 -1.865 -1.701 -1.547 -1.403 -1.271 -1.017 -0.971 -0.927 -0.883 -0.840 -0.797 -0.754 -0.712 -0.669 -0.627 -0.585 -0.544 -0.504 -0.465 -0.427 -0.388 99999.999 99999.999 99999.999 99999.999 99999.999 -3.144 -3.277 -3.243 -3.130 -2.974 -2.795 -2.605 -2.413 -2.222 -2.038 -1.861 -1.694 -1.536 -1.389 -1.251 -0.995 -0.949 -0.904 -0.859 -0.816 -0.774 -0.732 -0.690 -0.649 -0.608 -0.566 -0.526 -0.485 -0.444 -0.404 -0.363 -0.320 -0.276 99999.999 99999.999 99999.999 -3.156 -3.290 -3.255 -3.140 -2.983 -2.802 -2.611 -2.416 -2.224 -2.037 -1.858 -1.688 -1.527 -1.376 -1.234 -0.975 -0.927 -0.881 -0.836 -0.792 -0.749 -0.707 -0.666 -0.625 -0.585 -0.544 -0.504 -0.464 -0.423 -0.382 -0.340 -0.296 -0.251 -0.202 99999.999 99999.999 -3.169 -3.302 -3.266 -3.150 -2.991 -2.809 -2.616 -2.420 -2.225 -2.036 -1.854 -1.682 -1.518 -1.364 -1.218 -0.954 -0.906 -0.859 -0.813 -0.768 -0.725 -0.682 -0.641 -0.600 -0.560 -0.520 -0.480 -0.440 -0.400 -0.359 -0.317 -0.273 -0.228 -0.180 -0.128 -0.073 -3.181 -3.314 -3.278 -3.160 -3.000 -2.816 -2.622 -2.423 -2.226 -2.035 -1.851 -1.676 -1.510 -1.353 -1.204 -0.935 -0.885 -0.837 -0.790 -0.744 -0.700 -0.657 -0.615 -0.574 -0.534 -0.494 -0.454 -0.414 -0.374 -0.334 -0.292 -0.250 -0.205 -0.158 -0.108 -0.055 -3.310 -3.436 -3.387 -3.256 -3.081 -2.883 -2.672 -2.457 -2.242 -2.031 -1.827 -1.629 -1.440 -1.259 -1.086 -0.765 -0.705 -0.646 -0.589 -0.533 -0.479 -0.426 -0.374 -0.324 -0.275 -0.228 -0.182 -0.136 -0.092 -0.049 -0.007 0.035 0.076 0.117 0.158 0.199 -3.445 -3.555 -3.491 -3.345 -3.157 -2.944 -2.719 -2.490 -2.260 -2.033 -1.811 -1.596 -1.388 -1.188 -0.995 -0.634 -0.565 -0.498 -0.432 -0.367 -0.304 -0.242 -0.182 -0.123 -0.065 -0.008 0.047 0.101 0.153 0.204 0.255 0.303 0.351 0.398 0.444 0.488 -3.585 -3.672 -3.591 -3.430 -3.227 -3.001 -2.764 -2.521 -2.278 -2.037 -1.801 -1.571 -1.348 -1.132 -0.923 -0.529 -0.453 -0.379 -0.307 -0.235 -0.165 -0.096 -0.028 0.039 0.104 0.168 0.231 0.292 0.352 0.411 0.468 0.524 0.579 0.633 0.686 0.737 -3.731 -3.789 -3.687 -3.511 -3.294 -3.056 -2.806 -2.552 -2.297 -2.044 -1.795 -1.552 -1.316 -1.087 -0.865 -0.443 -0.362 -0.282 -0.203 -0.126 -0.050 0.025 0.099 0.171 0.243 0.313 0.381 0.449 0.515 0.580 0.644 0.707 0.768 0.828 0.887 0.944 -3.880 -3.905 -3.782 -3.589 -3.359 -3.108 -2.847 -2.581 -2.316 -2.052 -1.793 -1.539 -1.291 -1.050 -0.816 -0.370 -0.285 -0.200 -0.117 -0.034 0.047 0.127 0.205 0.283 0.359 0.434 0.508 0.581 0.652 0.722 0.791 0.859 0.925 0.991 1.055 1.118 -4.032 -4.020 -3.875 -3.665 -3.421 -3.158 -2.886 -2.611 -2.335 -2.062 -1.792 -1.528 -1.271 -1.020 -0.776 -0.309 -0.219 -0.130 -0.043 0.044 0.129 0.213 0.296 0.378 0.458 0.537 0.616 0.693 0.768 0.843 0.916 0.988 1.059 1.129 1.198 1.265 -4.187 -4.136 -3.967 -3.740 -3.482 -3.208 -2.925 -2.640 -2.355 -2.072 -1.794 -1.521 -1.255 -0.994 -0.741 -0.256 -0.163 -0.070 0.021 0.111 0.200 0.287 0.374 0.459 0.544 0.627 0.708 0.789 0.869 0.947 1.024 1.100 1.174 1.248 1.320 1.391 99999.999 -4.251 -4.058 -3.814 -3.542 -3.256 -2.963 -2.668 -2.375 -2.084 -1.798 -1.517 -1.242 -0.974 -0.712 -0.211 -0.114 -0.019 0.076 0.169 0.261 0.352 0.442 0.531 0.618 0.704 0.789 0.873 0.956 1.037 1.117 1.197 1.274 1.351 1.427 1.501 loellingite FeAs2 P-T:All Wt.(g/mol) = 205.690 V(cc/mol) = 27.510 D(g/cc) = 7.477 Ref: Bess05 4 -2.000 2 2.000 25 1.000 11 -2.000 31 149.151 135.262 123.410 113.178 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.151 135.262 123.410 113.178 104.242 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.152 135.263 123.411 113.179 104.243 96.359 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.155 135.266 123.413 113.181 104.245 96.361 89.336 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.159 135.269 123.417 113.184 104.249 96.364 89.339 83.023 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.166 135.275 123.423 113.190 104.254 96.370 89.345 83.029 77.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.176 135.284 123.431 113.198 104.262 96.378 89.354 83.039 77.310 72.063 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.191 135.297 123.443 113.210 104.274 96.390 89.367 83.053 77.326 72.081 67.224 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.211 135.315 123.460 113.226 104.290 96.407 89.384 83.071 77.347 72.106 67.255 62.697 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.238 135.339 123.482 113.248 104.312 96.429 89.407 83.097 77.375 72.139 67.295 62.751 58.400 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.273 135.371 123.512 113.276 104.340 96.458 89.437 83.129 77.411 72.181 67.347 62.820 58.501 54.232 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.318 135.411 123.550 113.313 104.376 96.495 89.476 83.171 77.457 72.234 67.412 62.905 58.623 54.434 49.962 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.353 135.442 123.579 113.341 104.404 96.523 89.506 83.203 77.493 72.275 67.461 62.968 58.711 54.573 50.272 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.403 135.487 123.621 113.381 104.444 96.564 89.548 83.248 77.542 72.331 67.529 63.055 58.830 54.754 50.613 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.453 135.531 123.662 113.421 104.484 96.604 89.590 83.293 77.591 72.387 67.594 63.137 58.941 54.917 50.892 42.079 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.502 135.575 123.704 113.461 104.524 96.644 89.632 83.337 77.640 72.441 67.658 63.216 59.045 55.066 51.134 43.765 41.682 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.551 135.619 123.745 113.501 104.563 96.684 89.673 83.381 77.687 72.494 67.720 63.292 59.143 55.202 51.347 44.313 42.687 40.853 38.654 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.600 135.663 123.786 113.541 104.602 96.723 89.714 83.424 77.734 72.546 67.780 63.364 59.236 55.328 51.538 44.660 43.184 41.629 39.940 38.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.649 135.706 123.827 113.580 104.641 96.763 89.754 83.466 77.779 72.597 67.838 63.434 59.323 55.444 51.710 44.925 43.524 42.088 40.595 39.010 37.302 35.448 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.697 135.750 123.867 113.619 104.680 96.802 89.794 83.508 77.825 72.647 67.895 63.501 59.406 55.552 51.865 45.142 43.789 42.421 41.026 39.587 38.086 36.504 34.832 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.745 135.793 123.908 113.659 104.718 96.840 89.834 83.550 77.869 72.696 67.950 63.565 59.485 55.653 52.005 45.330 44.009 42.685 41.351 39.995 38.607 37.175 35.691 34.150 32.559 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.793 135.836 123.948 113.697 104.757 96.879 89.873 83.591 77.913 72.744 68.004 63.628 59.559 55.747 52.132 45.496 44.200 42.908 41.614 40.312 38.995 37.654 36.284 34.879 33.440 31.971 30.484 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.840 135.879 123.989 113.736 104.795 96.917 89.912 83.632 77.957 72.791 68.056 63.688 59.631 55.834 52.247 45.646 44.369 43.102 41.838 40.574 39.305 38.025 36.729 35.414 34.077 32.721 31.349 29.970 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.887 135.922 124.029 113.775 104.833 96.955 89.951 83.672 78.000 72.838 68.108 63.747 59.699 55.917 52.352 45.784 44.523 43.274 42.034 40.799 39.564 38.327 37.083 35.830 34.565 33.289 32.002 30.710 29.419 28.137 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 149.934 135.964 124.069 113.813 104.870 96.993 89.990 83.712 78.042 72.883 68.158 63.803 59.764 55.994 52.449 45.911 44.663 43.430 42.209 40.996 39.789 38.584 37.378 36.170 34.957 33.739 32.516 31.291 30.067 28.849 27.644 99999.999 99999.999 99999.999 99999.999 99999.999 149.981 136.006 124.108 113.851 104.908 97.030 90.028 83.752 78.084 72.928 68.208 63.859 59.827 56.067 52.537 46.030 44.794 43.574 42.368 41.173 39.987 38.807 37.632 36.458 35.284 34.110 32.935 31.761 30.590 29.424 28.270 27.130 26.011 99999.999 99999.999 99999.999 150.027 136.049 124.148 113.889 104.945 97.067 90.066 83.791 78.126 72.973 68.256 63.912 59.888 56.137 52.620 46.142 44.915 43.707 42.514 41.334 40.166 39.006 37.854 36.707 35.564 34.424 33.287 32.153 31.023 29.900 28.787 27.687 26.605 25.543 99999.999 99999.999 150.074 136.091 124.187 113.927 104.982 97.105 90.104 83.830 78.167 73.017 68.304 63.965 59.947 56.204 52.697 46.248 45.030 43.831 42.649 41.482 40.329 39.186 38.053 36.928 35.809 34.697 33.589 32.487 31.391 30.303 29.224 28.158 27.106 26.073 25.062 24.074 150.120 136.132 124.227 113.965 105.019 97.142 90.141 83.869 78.207 73.060 68.351 64.016 60.004 56.268 52.770 46.348 45.138 43.948 42.776 41.620 40.479 39.351 38.234 37.127 36.028 34.938 33.854 32.778 31.710 30.650 29.600 28.562 27.537 26.529 25.540 24.573 150.568 136.543 124.613 114.336 105.382 97.501 90.503 84.240 78.593 73.468 68.787 64.488 60.519 56.837 53.404 47.164 46.001 44.863 43.749 42.657 41.585 40.534 39.501 38.485 37.487 36.504 35.537 34.584 33.645 32.720 31.808 30.909 30.024 29.151 28.291 27.444 150.996 136.939 124.987 114.695 105.731 97.846 90.848 84.589 78.951 73.839 69.177 64.902 60.962 57.314 53.921 47.783 46.645 45.533 44.447 43.385 42.345 41.327 40.330 39.353 38.394 37.454 36.531 35.624 34.733 33.858 32.997 32.151 31.318 30.499 29.692 28.899 151.410 137.324 125.352 115.045 106.070 98.178 91.178 84.921 79.288 74.185 69.536 65.278 61.358 57.733 54.368 48.297 47.175 46.080 45.011 43.966 42.946 41.948 40.972 40.016 39.081 38.164 37.266 36.385 35.520 34.672 33.839 33.022 32.218 31.428 30.652 29.889 151.811 137.700 125.708 115.386 106.400 98.501 91.497 85.239 79.609 74.512 69.871 65.624 61.719 58.112 54.767 48.744 47.632 46.549 45.492 44.460 43.452 42.468 41.506 40.565 39.644 38.743 37.861 36.997 36.149 35.319 34.504 33.704 32.920 32.149 31.392 30.648 152.203 138.067 126.056 115.719 106.723 98.816 91.807 85.546 79.916 74.822 70.188 65.949 62.055 58.460 55.130 49.143 48.040 46.965 45.916 44.894 43.895 42.921 41.969 41.038 40.128 39.238 38.367 37.515 36.679 35.861 35.059 34.272 33.500 32.743 31.999 31.269 152.586 138.428 126.398 116.046 107.038 99.123 92.108 85.844 80.213 75.121 70.490 66.257 62.370 58.785 55.467 49.507 48.410 47.341 46.299 45.283 44.292 43.325 42.380 41.458 40.556 39.674 38.811 37.967 37.141 36.331 35.538 34.761 33.999 33.251 32.518 31.797 152.963 138.783 126.734 116.367 107.348 99.424 92.403 86.135 80.502 75.409 70.779 66.550 62.669 59.091 55.781 49.843 48.750 47.686 46.650 45.639 44.654 43.692 42.753 41.837 40.941 40.065 39.209 38.372 37.552 36.749 35.963 35.193 34.438 33.698 32.971 32.259 99999.999 139.134 127.065 116.683 107.652 99.719 92.691 86.418 80.782 75.688 71.059 66.832 62.954 59.382 56.079 50.156 49.068 48.008 46.975 45.969 44.987 44.030 43.096 42.184 41.293 40.422 39.571 38.739 37.924 37.127 36.346 35.581 34.832 34.097 33.376 32.669 merenskyite PdTe2 P-T:All Wt.(g/mol) = 361.620 V(cc/mol) = 36.160 D(g/cc) = 10.001 Ref: RG97 6 -0.250 6 -1.000 2 0.250 1 0.250 4 1.000 39 2.000 41 -119.262 -110.943 -104.233 -98.757 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -119.262 -110.943 -104.233 -98.757 -94.249 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -119.260 -110.941 -104.231 -98.756 -94.248 -90.514 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -119.256 -110.938 -104.228 -98.753 -94.245 -90.511 -87.406 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -119.250 -110.932 -104.223 -98.748 -94.241 -90.507 -87.401 -84.813 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -119.241 -110.924 -104.215 -98.740 -94.233 -90.500 -87.394 -84.806 -82.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -119.226 -110.910 -104.203 -98.729 -94.222 -90.489 -87.383 -84.795 -82.638 -80.847 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -119.205 -110.892 -104.185 -98.712 -94.206 -90.474 -87.368 -84.780 -82.623 -80.831 -79.357 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -119.177 -110.866 -104.161 -98.689 -94.185 -90.452 -87.348 -84.759 -82.601 -80.809 -79.333 -78.138 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -119.139 -110.831 -104.129 -98.659 -94.155 -90.424 -87.320 -84.731 -82.573 -80.779 -79.301 -78.102 -77.153 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-9.766 -9.830 -8.579 -8.271 -8.093 -7.986 -7.924 -7.896 -7.892 -7.909 -7.941 -7.986 -8.042 -8.108 -8.182 -8.264 -8.353 -8.550 -8.592 -8.634 -8.678 -8.722 -8.767 -8.813 -8.860 -8.907 -8.955 -9.004 -9.054 -9.105 -9.157 -9.209 -9.262 -9.317 -9.372 -9.428 -9.485 -9.543 -8.553 -8.220 -8.033 -7.920 -7.854 -7.821 -7.814 -7.826 -7.853 -7.893 -7.942 -8.001 -8.067 -8.140 -8.219 -8.395 -8.433 -8.471 -8.510 -8.550 -8.591 -8.632 -8.674 -8.717 -8.760 -8.805 -8.850 -8.896 -8.943 -8.990 -9.039 -9.088 -9.138 -9.189 -9.241 -9.294 99999.999 -8.176 -7.979 -7.860 -7.789 -7.753 -7.742 -7.750 -7.773 -7.807 -7.851 -7.903 -7.962 -8.028 -8.099 -8.257 -8.291 -8.325 -8.361 -8.397 -8.434 -8.471 -8.509 -8.548 -8.588 -8.628 -8.669 -8.711 -8.754 -8.797 -8.842 -8.887 -8.933 -8.980 -9.027 -9.076 millerite NiS P-T:All Wt.(g/mol) = 90.760 V(cc/mol) = 16.890 D(g/cc) = 5.374 Ref: RHF78 3 1.000 26 1.000 4 -2.000 31 142.610 129.110 117.402 107.171 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.610 129.110 117.402 107.171 98.142 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.613 129.112 117.404 107.173 98.143 90.097 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.617 129.116 117.408 107.176 98.147 90.101 82.862 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.624 129.123 117.415 107.183 98.153 90.107 82.869 76.298 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.636 129.134 117.425 107.193 98.163 90.117 82.879 76.309 70.290 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.654 129.151 117.440 107.208 98.178 90.131 82.894 76.324 70.307 64.740 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.679 129.174 117.463 107.229 98.199 90.152 82.915 76.347 70.332 64.768 59.558 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.714 129.206 117.493 107.258 98.227 90.181 82.945 76.378 70.365 64.806 59.603 54.657 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.760 129.249 117.534 107.298 98.266 90.219 82.984 76.419 70.410 64.856 59.663 54.734 49.953 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.820 129.305 117.587 107.349 98.316 90.269 83.035 76.472 70.467 64.920 59.739 54.832 50.090 45.346 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.898 129.377 117.655 107.414 98.380 90.333 83.100 76.540 70.540 65.001 59.835 54.953 50.257 45.605 40.595 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.957 129.432 117.707 107.464 98.429 90.382 83.150 76.592 70.595 65.063 59.907 55.043 50.379 45.788 40.943 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.042 129.511 117.782 107.536 98.499 90.452 83.221 76.666 70.674 65.150 60.008 55.167 50.545 46.029 41.360 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.126 129.589 117.856 107.607 98.568 90.521 83.291 76.738 70.751 65.234 60.105 55.286 50.700 46.250 41.721 33.179 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.209 129.667 117.929 107.677 98.637 90.589 83.359 76.810 70.827 65.317 60.199 55.400 50.847 46.453 42.041 34.419 32.405 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.292 129.744 118.001 107.747 98.705 90.656 83.427 76.880 70.901 65.397 60.290 55.509 50.985 46.641 42.329 34.877 33.195 31.347 29.130 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.374 129.820 118.073 107.816 98.772 90.723 83.495 76.949 70.974 65.476 60.379 55.613 51.115 46.815 42.589 35.205 33.629 31.997 30.252 28.302 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.455 129.895 118.144 107.884 98.838 90.788 83.561 77.017 71.045 65.554 60.465 55.714 51.239 46.977 42.823 35.474 33.955 32.414 30.828 29.162 27.368 25.399 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.535 129.970 118.215 107.952 98.904 90.854 83.626 77.084 71.116 65.629 60.549 55.810 51.356 47.126 43.036 35.707 34.226 32.738 31.231 29.689 28.090 26.406 24.615 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.615 130.044 118.285 108.019 98.969 90.918 83.691 77.151 71.185 65.703 60.631 55.904 51.467 47.266 43.228 35.914 34.461 33.009 31.552 30.079 28.580 27.039 25.442 23.778 22.045 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.694 130.117 118.354 108.085 99.034 90.982 83.755 77.216 71.253 65.776 60.710 55.994 51.572 47.396 43.402 36.104 34.672 33.247 31.824 30.397 28.958 27.500 26.013 24.490 22.924 21.319 19.680 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.772 130.190 118.423 108.151 99.098 91.045 83.818 77.281 71.321 65.848 60.788 56.080 51.673 47.517 43.560 36.279 34.864 33.460 32.063 30.669 29.272 27.867 26.449 25.013 23.553 22.069 20.563 19.043 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.850 130.262 118.491 108.216 99.161 91.107 83.881 77.345 71.387 65.918 60.864 56.165 51.769 47.631 43.703 36.442 35.042 33.655 32.279 30.909 29.543 28.177 26.806 25.427 24.038 22.635 21.221 19.798 18.371 16.950 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.927 130.334 118.559 108.281 99.224 91.169 83.943 77.408 71.452 65.987 60.938 56.246 51.861 47.737 43.833 36.595 35.207 33.835 32.476 31.126 29.784 28.447 27.111 25.773 24.433 23.088 21.738 20.385 19.031 17.683 16.347 99999.999 99999.999 99999.999 99999.999 99999.999 144.003 130.405 118.626 108.345 99.286 91.230 84.004 77.470 71.517 66.055 61.011 56.326 51.949 47.838 43.952 36.740 35.363 34.003 32.658 31.325 30.003 28.688 27.379 26.073 24.769 23.465 22.162 20.861 19.562 18.270 16.988 15.723 14.479 99999.999 99999.999 99999.999 144.079 130.476 118.693 108.409 99.348 91.291 84.065 77.531 71.580 66.121 61.082 56.403 52.034 47.933 44.062 36.877 35.510 34.161 32.828 31.510 30.203 28.907 27.619 26.338 25.063 23.791 22.524 21.261 20.004 18.754 17.516 16.292 15.088 13.907 99999.999 99999.999 144.154 130.546 118.759 108.472 99.409 91.351 84.125 77.592 71.643 66.187 61.152 56.478 52.117 48.025 44.165 37.009 35.650 34.310 32.988 31.682 30.389 29.109 27.839 26.578 25.325 24.079 22.840 21.607 20.383 19.167 17.963 16.773 15.600 14.448 13.321 12.222 144.229 130.615 118.824 108.535 99.470 91.411 84.184 77.653 71.705 66.252 61.221 56.552 52.197 48.113 44.263 37.134 35.783 34.452 33.140 31.844 30.563 29.296 28.042 26.798 25.563 24.338 23.121 21.914 20.715 19.526 18.349 17.187 16.040 14.913 13.807 12.727 144.947 131.286 119.457 109.138 100.053 91.981 84.750 78.223 72.288 66.856 61.856 57.226 52.920 48.894 45.116 38.181 36.879 35.601 34.348 33.116 31.906 30.715 29.544 28.390 27.253 26.132 25.027 23.937 22.861 21.800 20.753 19.719 18.700 17.694 16.702 15.725 145.622 131.917 120.052 109.705 100.599 92.513 85.274 78.746 72.817 67.398 62.416 57.813 53.538 49.551 45.817 38.993 37.718 36.470 35.247 34.048 32.871 31.717 30.584 29.470 28.376 27.299 26.240 25.198 24.172 23.162 22.166 21.185 20.218 19.265 18.325 17.398 146.263 132.516 120.617 110.243 101.115 93.014 85.766 79.233 73.305 67.893 62.924 58.338 54.085 50.124 46.421 39.673 38.415 37.185 35.981 34.803 33.648 32.516 31.406 30.316 29.247 28.197 27.165 26.151 25.154 24.173 23.208 22.258 21.322 20.400 19.492 18.597 146.875 133.090 121.157 110.756 101.608 93.491 86.231 79.692 73.763 68.354 63.392 58.817 54.580 50.638 46.957 40.263 39.018 37.801 36.611 35.446 34.306 33.189 32.095 31.022 29.970 28.937 27.924 26.929 25.951 24.990 24.045 23.115 22.200 21.300 20.414 19.541 147.466 133.642 121.677 111.249 102.080 93.947 86.676 80.129 74.195 68.786 63.829 59.262 55.035 51.107 47.443 40.789 39.553 38.346 37.165 36.011 34.882 33.776 32.693 31.632 30.593 29.573 28.572 27.591 26.626 25.679 24.749 23.834 22.935 22.050 21.179 20.322 148.039 134.178 122.180 111.726 102.535 94.386 87.102 80.546 74.608 69.197 64.240 59.678 55.459 51.541 47.889 41.266 40.037 38.837 37.664 36.518 35.396 34.299 33.225 32.173 31.142 30.132 29.142 28.170 27.216 26.280 25.360 24.456 23.568 22.694 21.835 20.989 148.597 134.699 122.668 112.188 102.977 94.810 87.514 80.948 75.003 69.588 64.631 60.071 55.857 51.946 48.303 41.704 40.481 39.286 38.119 36.979 35.863 34.773 33.705 32.660 31.637 30.634 29.651 28.687 27.741 26.812 25.901 25.005 24.125 23.260 22.410 21.573 99999.999 135.209 123.144 112.637 103.405 95.222 87.912 81.336 75.384 69.965 65.006 60.445 56.234 52.328 48.692 42.110 40.891 39.701 38.539 37.403 36.293 35.207 34.145 33.105 32.087 31.090 30.113 29.154 28.214 27.292 26.387 25.498 24.624 23.766 22.922 22.092 moncheite PtTe2 P-T:All Wt.(g/mol) = 450.280 V(cc/mol) = 45.030 D(g/cc) = 10.000 Ref: RG97 6 -1.000 2 -0.250 6 1.000 40 2.000 41 0.250 4 0.250 1 -133.271 -123.798 -116.114 -109.805 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -133.271 -123.798 -116.114 -109.805 -104.577 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -133.268 -123.796 -116.112 -109.803 -104.576 -100.213 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -133.264 -123.792 -116.108 -109.800 -104.573 -100.210 -96.551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -133.257 -123.786 -116.102 -109.795 -104.567 -100.205 -96.546 -93.467 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -133.246 -123.776 -116.093 -109.786 -104.559 -100.197 -96.538 -93.459 -90.864 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-116.662 -112.050 -108.046 -104.555 -101.496 -98.809 -96.439 -94.344 -92.489 -89.378 -88.839 -88.324 -87.832 -87.363 -86.915 -86.488 -86.079 -85.690 -85.318 -84.963 -84.624 -84.301 -83.992 -83.699 -83.418 -83.152 -82.898 -82.656 -82.426 -82.208 -166.807 -154.189 -143.803 -135.141 -127.837 -121.623 -116.296 -111.697 -107.706 -104.225 -101.176 -98.495 -96.130 -94.040 -92.188 -89.083 -88.545 -88.031 -87.540 -87.071 -86.624 -86.197 -85.789 -85.400 -85.029 -84.674 -84.336 -84.013 -83.705 -83.412 -83.132 -82.866 -82.612 -82.370 -82.141 -81.922 -166.316 -153.719 -143.360 -134.722 -127.440 -121.245 -115.934 -111.351 -107.372 -103.902 -100.861 -98.188 -95.830 -93.745 -91.897 -88.798 -88.261 -87.747 -87.258 -86.790 -86.344 -85.917 -85.510 -85.122 -84.751 -84.397 -84.059 -83.736 -83.429 -83.136 -82.856 -82.590 -82.336 -82.095 -81.865 -81.647 99999.999 -153.256 -142.922 -134.308 -127.048 -120.872 -115.578 -111.010 -107.044 -103.584 -100.553 -97.888 -95.537 -93.457 -91.614 -88.522 -87.985 -87.473 -86.985 -86.518 -86.072 -85.647 -85.240 -84.853 -84.482 -84.129 -83.792 -83.470 -83.163 -82.870 -82.591 -82.325 -82.071 -81.830 -81.601 -81.382 montmorillonite-Ca Ca.165Mg.33Al1.67Si4O12H2 P-T:All Wt.(g/mol) = 366.040 V(cc/mol) = 133.264 D(g/cc) = 2.747 Ref: Wo90 6 0.165 9 1.670 8 4.000 7 0.330 10 -4.000 2 -6.000 1 4.217 2.392 0.626 -0.962 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.217 2.392 0.626 -0.962 -2.370 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.219 2.393 0.628 -0.960 -2.368 -3.622 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.221 2.397 0.632 -0.956 -2.364 -3.618 -4.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.226 2.403 0.638 -0.949 -2.357 -3.611 -4.742 -5.780 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.233 2.412 0.648 -0.939 -2.346 -3.600 -4.730 -5.768 -6.737 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.244 2.426 0.663 -0.923 -2.330 -3.583 -4.713 -5.749 -6.717 -7.644 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.260 2.446 0.685 -0.901 -2.307 -3.560 -4.689 -5.723 -6.689 -7.613 -8.530 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.281 2.473 0.714 -0.871 -2.276 -3.528 -4.655 -5.688 -6.651 -7.571 -8.481 -9.416 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.307 2.508 0.752 -0.831 -2.236 -3.485 -4.611 -5.641 -6.600 -7.516 -8.418 -9.339 -10.297 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.341 2.553 0.800 -0.781 -2.183 -3.431 -4.555 -5.581 -6.536 -7.444 -8.336 -9.241 -10.182 -11.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.381 2.608 0.861 -0.717 -2.118 -3.364 -4.484 -5.506 -6.455 -7.355 -8.233 -9.118 -10.033 -10.975 -11.674 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.410 2.649 0.906 -0.670 -2.069 -3.313 -4.430 -5.449 -6.394 -7.288 -8.156 -9.026 -9.919 -10.850 -11.810 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.448 2.704 0.969 -0.604 -2.000 -3.241 -4.355 -5.370 -6.308 -7.194 -8.049 -8.897 -9.759 -10.660 -11.706 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.482 2.757 1.028 -0.541 -1.935 -3.173 -4.284 -5.293 -6.226 -7.103 -7.945 -8.773 -9.606 -10.468 -11.494 -1.614 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.513 2.806 1.085 -0.481 -1.872 -3.107 -4.214 -5.219 -6.147 -7.016 -7.846 -8.655 -9.459 -10.281 -11.250 -7.834 -5.060 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.540 2.852 1.138 -0.423 -1.811 -3.044 -4.147 -5.148 -6.070 -6.931 -7.751 -8.542 -9.319 -10.102 -11.002 -9.249 -8.214 -6.439 -3.893 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.563 2.896 1.189 -0.368 -1.753 -2.983 -4.083 -5.079 -5.996 -6.850 -7.659 -8.435 -9.188 -9.933 -10.763 -9.834 -9.340 -8.514 -7.250 -5.559 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.584 2.936 1.238 -0.315 -1.697 -2.924 -4.020 -5.013 -5.924 -6.772 -7.571 -8.332 -9.063 -9.775 -10.539 -10.125 -9.872 -9.439 -8.767 -7.814 -6.600 -5.254 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.601 2.974 1.284 -0.265 -1.644 -2.867 -3.960 -4.949 -5.855 -6.696 -7.486 -8.234 -8.946 -9.628 -10.333 -10.277 -10.155 -9.922 -9.544 -8.990 -8.245 -7.328 -6.311 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.615 3.008 1.327 -0.217 -1.592 -2.813 -3.903 -4.887 -5.788 -6.623 -7.405 -8.141 -8.836 -9.493 -10.148 -10.351 -10.310 -10.193 -9.980 -9.652 -9.191 -8.594 -7.877 -7.082 -6.268 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.625 3.041 1.368 -0.171 -1.543 -2.760 -3.847 -4.827 -5.723 -6.552 -7.326 -8.052 -8.733 -9.369 -9.982 -10.379 -10.391 -10.347 -10.236 -10.045 -9.761 -9.375 -8.887 -8.311 -7.672 -7.006 -6.345 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.633 3.070 1.407 -0.127 -1.496 -2.710 -3.793 -4.769 -5.661 -6.484 -7.251 -7.968 -8.636 -9.255 -9.835 -10.377 -10.425 -10.431 -10.388 -10.285 -10.115 -9.869 -9.543 -9.139 -8.666 -8.142 -7.587 -7.020 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.638 3.097 1.443 -0.086 -1.451 -2.662 -3.741 -4.714 -5.600 -6.418 -7.178 -7.887 -8.545 -9.150 -9.707 -10.355 -10.429 -10.471 -10.474 -10.432 -10.339 -10.188 -9.976 -9.699 -9.360 -8.965 -8.526 -8.056 -7.566 -7.066 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.640 3.122 1.477 -0.046 -1.407 -2.615 -3.692 -4.660 -5.542 -6.354 -7.108 -7.810 -8.460 -9.055 -9.594 -10.319 -10.413 -10.480 -10.516 -10.517 -10.479 -10.395 -10.263 -10.079 -9.843 -9.555 -9.221 -8.848 -8.444 -8.016 -7.569 99999.999 99999.999 99999.999 99999.999 99999.999 4.640 3.144 1.509 -0.009 -1.366 -2.571 -3.643 -4.608 -5.486 -6.293 -7.041 -7.736 -8.379 -8.967 -9.496 -10.274 -10.382 -10.467 -10.528 -10.561 -10.562 -10.528 -10.455 -10.339 -10.180 -9.977 -9.730 -9.444 -9.123 -8.771 -8.393 -7.992 -7.570 99999.999 99999.999 99999.999 4.637 3.165 1.540 0.027 -1.327 -2.528 -3.597 -4.558 -5.431 -6.233 -6.976 -7.665 -8.302 -8.885 -9.408 -10.221 -10.340 -10.440 -10.520 -10.576 -10.607 -10.609 -10.579 -10.515 -10.415 -10.277 -10.101 -9.888 -9.641 -9.361 -9.052 -8.716 -8.355 -7.970 99999.999 99999.999 4.631 3.182 1.568 0.061 -1.289 -2.487 -3.553 -4.510 -5.378 -6.176 -6.913 -7.597 -8.229 -8.808 -9.329 -10.164 -10.291 -10.403 -10.497 -10.571 -10.624 -10.653 -10.656 -10.631 -10.576 -10.489 -10.369 -10.217 -10.032 -9.816 -9.570 -9.296 -8.995 -8.670 -8.318 -7.942 4.622 3.198 1.594 0.092 -1.253 -2.447 -3.510 -4.463 -5.327 -6.120 -6.852 -7.531 -8.159 -8.734 -9.254 -10.103 -10.237 -10.357 -10.462 -10.550 -10.620 -10.671 -10.699 -10.704 -10.684 -10.637 -10.562 -10.458 -10.325 -10.163 -9.973 -9.756 -9.512 -9.242 -8.947 -8.627 4.414 3.247 1.757 0.321 -0.980 -2.137 -3.164 -4.080 -4.904 -5.652 -6.338 -6.969 -7.552 -8.090 -8.584 -9.448 -9.601 -9.749 -9.890 -10.025 -10.153 -10.276 -10.392 -10.501 -10.604 -10.700 -10.789 -10.870 -10.943 -11.007 -11.064 -11.111 -11.149 -11.177 -11.196 -11.204 4.014 3.131 1.770 0.410 -0.838 -1.954 -2.944 -3.824 -4.611 -5.319 -5.962 -6.551 -7.091 -7.589 -8.047 -8.858 -9.005 -9.147 -9.285 -9.419 -9.549 -9.675 -9.797 -9.916 -10.031 -10.144 -10.253 -10.359 -10.462 -10.562 -10.659 -10.753 -10.844 -10.933 -11.019 -11.102 3.460 2.882 1.663 0.387 -0.803 -1.873 -2.825 -3.668 -4.419 -5.090 -5.695 -6.244 -6.745 -7.204 -7.626 -8.371 -8.507 -8.638 -8.766 -8.890 -9.010 -9.128 -9.243 -9.355 -9.464 -9.572 -9.677 -9.780 -9.882 -9.982 -10.081 -10.178 -10.275 -10.370 -10.465 -10.558 2.783 2.524 1.458 0.273 -0.854 -1.875 -2.786 -3.593 -4.308 -4.944 -5.513 -6.026 -6.490 -6.913 -7.300 -7.979 -8.102 -8.221 -8.337 -8.450 -8.559 -8.665 -8.769 -8.871 -8.970 -9.068 -9.164 -9.258 -9.351 -9.442 -9.533 -9.623 -9.712 -9.801 -9.890 -9.978 2.003 2.076 1.170 0.082 -0.977 -1.947 -2.815 -3.584 -4.264 -4.867 -5.402 -5.881 -6.311 -6.700 -7.053 -7.668 -7.779 -7.886 -7.990 -8.091 -8.189 -8.284 -8.377 -8.467 -8.555 -8.642 -8.727 -8.810 -8.893 -8.974 -9.054 -9.134 -9.213 -9.292 -9.371 -9.450 1.136 1.552 0.812 -0.174 -1.162 -2.077 -2.900 -3.631 -4.276 -4.846 -5.349 -5.795 -6.193 -6.550 -6.872 -7.427 -7.526 -7.622 -7.714 -7.803 -7.890 -7.974 -8.056 -8.135 -8.213 -8.289 -8.363 -8.436 -8.507 -8.578 -8.648 -8.717 -8.786 -8.855 -8.923 -8.992 0.197 0.963 0.395 -0.485 -1.399 -2.258 -3.035 -3.727 -4.337 -4.873 -5.345 -5.761 -6.129 -6.455 -6.747 -7.244 -7.332 -7.417 -7.499 -7.577 -7.653 -7.727 -7.798 -7.867 -7.934 -8.000 -8.064 -8.127 -8.188 -8.249 -8.309 -8.368 -8.427 -8.486 -8.544 -8.602 99999.999 0.317 -0.074 -0.846 -1.683 -2.483 -3.213 -3.864 -4.438 -4.942 -5.383 -5.770 -6.108 -6.406 -6.670 -7.113 -7.190 -7.264 -7.336 -7.404 -7.470 -7.533 -7.595 -7.654 -7.712 -7.767 -7.822 -7.875 -7.927 -7.979 -8.029 -8.079 -8.129 -8.178 -8.227 -8.276 montmorillonite-K K.33Mg.33Al1.67Si4O12H2 P-T:All Wt.(g/mol) = 372.330 V(cc/mol) = 137.432 D(g/cc) = 2.709 Ref: Wo90 6 0.330 12 1.670 8 4.000 7 0.330 10 -4.000 2 -6.000 1 3.670 2.039 0.433 -1.020 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.670 2.039 0.433 -1.020 -2.314 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.671 2.040 0.435 -1.018 -2.311 -3.467 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.674 2.044 0.439 -1.014 -2.308 -3.463 -4.510 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.678 2.050 0.445 -1.008 -2.301 -3.457 -4.503 -5.465 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.686 2.059 0.455 -0.997 -2.290 -3.446 -4.491 -5.453 -6.356 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.696 2.073 0.470 -0.982 -2.275 -3.430 -4.474 -5.435 -6.336 -7.203 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.711 2.092 0.491 -0.960 -2.253 -3.407 -4.450 -5.410 -6.309 -7.173 -8.034 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.732 2.118 0.519 -0.931 -2.222 -3.375 -4.418 -5.375 -6.271 -7.132 -7.987 -8.869 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.758 2.153 0.557 -0.892 -2.182 -3.334 -4.375 -5.330 -6.222 -7.077 -7.924 -8.794 -9.704 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.790 2.196 0.604 -0.843 -2.131 -3.281 -4.319 -5.271 -6.159 -7.008 -7.844 -8.699 -9.591 -10.476 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.829 2.250 0.663 -0.781 -2.067 -3.215 -4.250 -5.197 -6.080 -6.920 -7.744 -8.578 -9.445 -10.342 -11.005 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.856 2.289 0.707 -0.734 -2.019 -3.165 -4.197 -5.142 -6.020 -6.854 -7.668 -8.487 -9.333 -10.220 -11.137 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.893 2.344 0.768 -0.670 -1.953 -3.096 -4.125 -5.064 -5.936 -6.762 -7.563 -8.362 -9.177 -10.034 -11.035 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.926 2.394 0.826 -0.609 -1.888 -3.029 -4.054 -4.989 -5.856 -6.674 -7.462 -8.241 -9.027 -9.846 -10.828 -1.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.955 2.442 0.881 -0.550 -1.827 -2.964 -3.986 -4.917 -5.778 -6.588 -7.365 -8.125 -8.884 -9.663 -10.589 -7.229 -4.520 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.981 2.487 0.933 -0.494 -1.768 -2.903 -3.921 -4.848 -5.703 -6.506 -7.272 -8.015 -8.748 -9.488 -10.346 -8.608 -7.594 -5.859 -3.371 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.003 2.528 0.982 -0.440 -1.711 -2.843 -3.858 -4.781 -5.631 -6.427 -7.182 -7.910 -8.619 -9.323 -10.113 -9.177 -8.690 -7.881 -6.644 -4.991 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.022 2.567 1.029 -0.389 -1.657 -2.786 -3.798 -4.716 -5.561 -6.350 -7.096 -7.810 -8.497 -9.169 -9.894 -9.460 -9.208 -8.781 -8.122 -7.188 -6.001 -4.684 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.037 2.603 1.074 -0.340 -1.605 -2.731 -3.739 -4.653 -5.493 -6.276 -7.014 -7.714 -8.383 -9.026 -9.693 -9.607 -9.483 -9.251 -8.878 -8.334 -7.604 -6.706 -5.710 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.050 2.637 1.115 -0.294 -1.555 -2.678 -3.683 -4.593 -5.428 -6.205 -6.934 -7.623 -8.275 -8.894 -9.512 -9.679 -9.634 -9.514 -9.302 -8.978 -8.525 -7.939 -7.236 -6.456 -5.659 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.059 2.667 1.155 -0.250 -1.507 -2.627 -3.629 -4.535 -5.365 -6.136 -6.858 -7.537 -8.174 -8.772 -9.350 -9.706 -9.712 -9.664 -9.551 -9.360 -9.079 -8.699 -8.220 -7.654 -7.028 -6.375 -5.727 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.065 2.695 1.192 -0.207 -1.462 -2.578 -3.577 -4.479 -5.304 -6.069 -6.784 -7.454 -8.080 -8.661 -9.207 -9.703 -9.745 -9.746 -9.698 -9.594 -9.424 -9.180 -8.858 -8.461 -7.997 -7.482 -6.937 -6.381 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.069 2.721 1.227 -0.167 -1.418 -2.531 -3.526 -4.425 -5.246 -6.005 -6.713 -7.375 -7.991 -8.559 -9.082 -9.681 -9.748 -9.783 -9.781 -9.736 -9.641 -9.490 -9.279 -9.006 -8.672 -8.284 -7.853 -7.391 -6.910 -6.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.069 2.744 1.260 -0.129 -1.376 -2.486 -3.478 -4.372 -5.189 -5.943 -6.645 -7.300 -7.908 -8.466 -8.972 -9.646 -9.731 -9.791 -9.822 -9.819 -9.777 -9.691 -9.559 -9.376 -9.142 -8.858 -8.530 -8.163 -7.765 -7.345 -6.906 99999.999 99999.999 99999.999 99999.999 99999.999 4.067 2.765 1.290 -0.093 -1.337 -2.443 -3.431 -4.322 -5.134 -5.883 -6.580 -7.228 -7.829 -8.380 -8.875 -9.601 -9.701 -9.779 -9.834 -9.861 -9.858 -9.820 -9.744 -9.628 -9.470 -9.268 -9.025 -8.743 -8.427 -8.081 -7.710 -7.316 -6.902 99999.999 99999.999 99999.999 4.063 2.783 1.319 -0.059 -1.299 -2.402 -3.387 -4.273 -5.081 -5.825 -6.516 -7.159 -7.755 -8.300 -8.790 -9.550 -9.660 -9.752 -9.825 -9.875 -9.901 -9.898 -9.865 -9.799 -9.698 -9.560 -9.385 -9.175 -8.931 -8.655 -8.351 -8.021 -7.666 -7.288 99999.999 99999.999 4.055 2.800 1.345 -0.027 -1.262 -2.362 -3.343 -4.226 -5.030 -5.769 -6.455 -7.093 -7.683 -8.225 -8.712 -9.493 -9.612 -9.715 -9.802 -9.869 -9.917 -9.941 -9.940 -9.912 -9.854 -9.766 -9.646 -9.495 -9.311 -9.098 -8.856 -8.586 -8.291 -7.970 -7.625 -7.255 4.045 2.814 1.370 0.003 -1.228 -2.324 -3.302 -4.181 -4.981 -5.715 -6.396 -7.029 -7.615 -8.153 -8.640 -9.434 -9.559 -9.670 -9.768 -9.849 -9.913 -9.958 -9.981 -9.983 -9.959 -9.910 -9.834 -9.729 -9.597 -9.436 -9.248 -9.034 -8.793 -8.528 -8.238 -7.923 3.822 2.848 1.519 0.218 -0.968 -2.028 -2.970 -3.813 -4.572 -5.263 -5.897 -6.483 -7.025 -7.526 -7.987 -8.795 -8.938 -9.076 -9.208 -9.335 -9.455 -9.570 -9.679 -9.782 -9.878 -9.967 -10.050 -10.126 -10.194 -10.254 -10.306 -10.349 -10.384 -10.409 -10.425 -10.431 3.407 2.717 1.518 0.293 -0.840 -1.858 -2.763 -3.570 -4.291 -4.943 -5.535 -6.079 -6.579 -7.040 -7.466 -8.221 -8.358 -8.491 -8.620 -8.745 -8.866 -8.984 -9.099 -9.210 -9.319 -9.424 -9.527 -9.627 -9.724 -9.818 -9.909 -9.998 -10.085 -10.168 -10.249 -10.328 2.838 2.454 1.397 0.257 -0.817 -1.789 -2.655 -3.425 -4.111 -4.726 -5.281 -5.785 -6.246 -6.670 -7.059 -7.749 -7.875 -7.997 -8.116 -8.231 -8.344 -8.453 -8.560 -8.665 -8.767 -8.868 -8.966 -9.063 -9.159 -9.253 -9.346 -9.438 -9.529 -9.619 -9.709 -9.798 2.146 2.082 1.178 0.130 -0.880 -1.803 -2.628 -3.361 -4.012 -4.592 -5.111 -5.579 -6.004 -6.391 -6.746 -7.371 -7.485 -7.595 -7.702 -7.805 -7.907 -8.005 -8.102 -8.196 -8.288 -8.379 -8.468 -8.556 -8.643 -8.729 -8.814 -8.898 -8.982 -9.066 -9.150 -9.233 1.350 1.619 0.877 -0.073 -1.016 -1.886 -2.668 -3.363 -3.979 -4.525 -5.010 -5.445 -5.836 -6.189 -6.511 -7.073 -7.175 -7.273 -7.368 -7.460 -7.550 -7.637 -7.723 -7.806 -7.887 -7.967 -8.046 -8.123 -8.199 -8.275 -8.350 -8.424 -8.498 -8.572 -8.646 -8.720 0.469 1.081 0.507 -0.341 -1.212 -2.027 -2.765 -3.421 -4.002 -4.514 -4.968 -5.370 -5.729 -6.051 -6.341 -6.843 -6.933 -7.020 -7.104 -7.185 -7.264 -7.340 -7.414 -7.487 -7.558 -7.627 -7.695 -7.762 -7.828 -7.893 -7.957 -8.021 -8.085 -8.149 -8.212 -8.276 -0.486 0.478 0.077 -0.664 -1.460 -2.219 -2.910 -3.527 -4.072 -4.552 -4.974 -5.345 -5.674 -5.966 -6.227 -6.672 -6.751 -6.826 -6.899 -6.970 -7.038 -7.104 -7.168 -7.230 -7.291 -7.350 -7.408 -7.465 -7.521 -7.576 -7.631 -7.685 -7.739 -7.792 -7.846 -7.900 99999.999 -0.180 -0.405 -1.036 -1.755 -2.455 -3.098 -3.674 -4.183 -4.630 -5.021 -5.364 -5.663 -5.927 -6.160 -6.550 -6.619 -6.684 -6.747 -6.807 -6.865 -6.922 -6.976 -7.028 -7.079 -7.129 -7.177 -7.225 -7.272 -7.317 -7.363 -7.408 -7.452 -7.497 -7.542 -7.586 montmorillonite-Mg Mg.495Al1.67Si4O12H2 P-T:All Wt.(g/mol) = 363.440 V(cc/mol) = 133.264 D(g/cc) = 2.727 Ref: Wo90 5 0.495 10 1.670 8 4.000 7 -4.000 2 -6.000 1 4.149 2.284 0.486 -1.129 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.149 2.284 0.486 -1.129 -2.558 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.151 2.286 0.488 -1.127 -2.556 -3.829 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.153 2.290 0.491 -1.123 -2.552 -3.825 -4.971 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.158 2.296 0.498 -1.116 -2.546 -3.818 -4.964 -6.015 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.166 2.305 0.508 -1.105 -2.535 -3.806 -4.952 -6.002 -6.982 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.177 2.319 0.523 -1.090 -2.519 -3.790 -4.935 -5.984 -6.962 -7.899 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.192 2.339 0.545 -1.067 -2.496 -3.766 -4.910 -5.958 -6.934 -7.868 -8.792 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.213 2.366 0.574 -1.037 -2.465 -3.734 -4.877 -5.922 -6.896 -7.825 -8.744 -9.685 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.240 2.402 0.613 -0.997 -2.423 -3.691 -4.832 -5.875 -6.845 -7.769 -8.679 -9.608 -10.573 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.274 2.447 0.662 -0.946 -2.371 -3.637 -4.775 -5.814 -6.780 -7.698 -8.597 -9.510 -10.457 -11.391 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.314 2.502 0.723 -0.882 -2.305 -3.569 -4.704 -5.739 -6.698 -7.608 -8.494 -9.386 -10.307 -11.253 -11.949 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.343 2.543 0.768 -0.835 -2.255 -3.517 -4.650 -5.681 -6.637 -7.540 -8.416 -9.292 -10.192 -11.128 -12.090 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.382 2.600 0.831 -0.768 -2.186 -3.446 -4.575 -5.601 -6.551 -7.445 -8.308 -9.163 -10.031 -10.937 -11.987 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.416 2.653 0.891 -0.705 -2.120 -3.376 -4.502 -5.524 -6.468 -7.354 -8.204 -9.038 -9.876 -10.744 -11.775 -1.716 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.447 2.702 0.948 -0.644 -2.056 -3.310 -4.432 -5.450 -6.387 -7.266 -8.104 -8.919 -9.728 -10.555 -11.529 -8.043 -5.218 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.475 2.749 1.003 -0.585 -1.995 -3.246 -4.364 -5.378 -6.310 -7.181 -8.007 -8.806 -9.588 -10.375 -11.279 -9.484 -8.427 -6.618 -4.021 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.499 2.793 1.054 -0.530 -1.937 -3.184 -4.299 -5.309 -6.235 -7.099 -7.915 -8.697 -9.455 -10.205 -11.038 -10.080 -9.574 -8.730 -7.440 -5.715 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.519 2.834 1.103 -0.476 -1.880 -3.125 -4.237 -5.242 -6.163 -7.019 -7.826 -8.594 -9.330 -10.046 -10.813 -10.378 -10.117 -9.673 -8.985 -8.011 -6.771 -5.395 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.536 2.871 1.149 -0.426 -1.826 -3.068 -4.176 -5.177 -6.093 -6.943 -7.741 -8.495 -9.211 -9.898 -10.606 -10.534 -10.407 -10.165 -9.777 -9.210 -8.448 -7.510 -6.469 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.551 2.907 1.193 -0.377 -1.774 -3.013 -4.118 -5.114 -6.026 -6.869 -7.658 -8.401 -9.101 -9.761 -10.419 -10.611 -10.566 -10.443 -10.223 -9.885 -9.412 -8.800 -8.066 -7.251 -6.417 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.562 2.939 1.235 -0.331 -1.725 -2.960 -4.061 -5.054 -5.960 -6.798 -7.579 -8.311 -8.997 -9.636 -10.252 -10.641 -10.649 -10.601 -10.485 -10.287 -9.994 -9.597 -9.096 -8.505 -7.851 -7.167 -6.489 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.570 2.969 1.274 -0.287 -1.677 -2.909 -4.007 -4.996 -5.897 -6.729 -7.503 -8.226 -8.899 -9.521 -10.104 -10.640 -10.686 -10.689 -10.641 -10.533 -10.356 -10.102 -9.766 -9.351 -8.865 -8.327 -7.757 -7.175 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.575 2.997 1.311 -0.245 -1.631 -2.860 -3.955 -4.939 -5.836 -6.663 -7.430 -8.145 -8.807 -9.416 -9.975 -10.619 -10.691 -10.730 -10.729 -10.683 -10.585 -10.428 -10.208 -9.923 -9.573 -9.168 -8.717 -8.233 -7.730 -7.216 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.578 3.022 1.346 -0.205 -1.588 -2.813 -3.904 -4.885 -5.777 -6.598 -7.360 -8.067 -8.721 -9.320 -9.861 -10.584 -10.676 -10.740 -10.774 -10.772 -10.729 -10.641 -10.503 -10.312 -10.067 -9.771 -9.427 -9.043 -8.627 -8.186 -7.727 99999.999 99999.999 99999.999 99999.999 99999.999 4.577 3.045 1.378 -0.167 -1.546 -2.768 -3.856 -4.833 -5.720 -6.536 -7.292 -7.992 -8.640 -9.231 -9.762 -10.539 -10.645 -10.729 -10.788 -10.818 -10.816 -10.777 -10.699 -10.578 -10.412 -10.201 -9.947 -9.652 -9.321 -8.959 -8.570 -8.158 -7.724 99999.999 99999.999 99999.999 4.574 3.065 1.409 -0.130 -1.506 -2.725 -3.809 -4.782 -5.665 -6.476 -7.226 -7.921 -8.563 -9.149 -9.674 -10.486 -10.604 -10.703 -10.781 -10.835 -10.863 -10.861 -10.827 -10.759 -10.653 -10.509 -10.326 -10.106 -9.850 -9.561 -9.243 -8.897 -8.526 -8.130 99999.999 99999.999 4.569 3.084 1.437 -0.096 -1.468 -2.683 -3.764 -4.733 -5.612 -6.418 -7.162 -7.852 -8.489 -9.071 -9.594 -10.429 -10.555 -10.666 -10.758 -10.831 -10.881 -10.908 -10.907 -10.878 -10.819 -10.727 -10.601 -10.442 -10.250 -10.027 -9.773 -9.490 -9.181 -8.845 -8.484 -8.097 4.561 3.100 1.464 -0.064 -1.431 -2.643 -3.721 -4.686 -5.561 -6.362 -7.101 -7.786 -8.418 -8.997 -9.519 -10.368 -10.501 -10.620 -10.724 -10.811 -10.879 -10.927 -10.953 -10.954 -10.930 -10.879 -10.799 -10.690 -10.551 -10.383 -10.185 -9.961 -9.709 -9.431 -9.127 -8.798 4.355 3.153 1.631 0.169 -1.153 -2.328 -3.370 -4.298 -5.132 -5.889 -6.581 -7.218 -7.806 -8.347 -8.844 -9.710 -9.863 -10.011 -10.151 -10.286 -10.414 -10.536 -10.651 -10.760 -10.862 -10.956 -11.043 -11.123 -11.194 -11.257 -11.311 -11.357 -11.392 -11.418 -11.434 -11.439 3.957 3.040 1.649 0.262 -1.007 -2.141 -3.146 -4.038 -4.834 -5.551 -6.201 -6.794 -7.339 -7.840 -8.301 -9.115 -9.262 -9.405 -9.543 -9.676 -9.806 -9.932 -10.054 -10.172 -10.287 -10.399 -10.507 -10.612 -10.715 -10.814 -10.910 -11.003 -11.094 -11.181 -11.266 -11.347 3.405 2.794 1.546 0.244 -0.968 -2.056 -3.022 -3.877 -4.638 -5.317 -5.928 -6.483 -6.988 -7.451 -7.875 -8.623 -8.759 -8.890 -9.018 -9.142 -9.263 -9.380 -9.495 -9.607 -9.716 -9.823 -9.928 -10.031 -10.132 -10.231 -10.329 -10.426 -10.522 -10.617 -10.710 -10.804 2.729 2.439 1.344 0.133 -1.015 -2.054 -2.979 -3.798 -4.523 -5.167 -5.743 -6.260 -6.729 -7.155 -7.544 -8.226 -8.349 -8.469 -8.585 -8.697 -8.807 -8.913 -9.017 -9.118 -9.217 -9.314 -9.410 -9.504 -9.596 -9.687 -9.777 -9.867 -9.956 -10.044 -10.132 -10.220 1.950 1.994 1.059 -0.054 -1.134 -2.122 -3.004 -3.785 -4.475 -5.085 -5.627 -6.111 -6.545 -6.937 -7.292 -7.911 -8.022 -8.129 -8.233 -8.334 -8.432 -8.527 -8.619 -8.709 -8.798 -8.884 -8.968 -9.052 -9.133 -9.214 -9.294 -9.373 -9.452 -9.531 -9.609 -9.687 1.085 1.473 0.705 -0.306 -1.315 -2.248 -3.086 -3.829 -4.484 -5.061 -5.571 -6.022 -6.424 -6.784 -7.107 -7.665 -7.764 -7.860 -7.953 -8.042 -8.129 -8.212 -8.294 -8.373 -8.450 -8.526 -8.600 -8.672 -8.744 -8.814 -8.883 -8.952 -9.020 -9.088 -9.156 -9.224 0.146 0.886 0.291 -0.614 -1.549 -2.426 -3.218 -3.921 -4.540 -5.085 -5.563 -5.984 -6.355 -6.685 -6.979 -7.479 -7.567 -7.651 -7.733 -7.812 -7.887 -7.961 -8.032 -8.101 -8.168 -8.233 -8.297 -8.359 -8.420 -8.480 -8.540 -8.598 -8.657 -8.715 -8.772 -8.830 99999.999 0.244 -0.176 -0.972 -1.830 -2.647 -3.392 -4.055 -4.639 -5.150 -5.598 -5.989 -6.332 -6.633 -6.898 -7.343 -7.421 -7.495 -7.566 -7.635 -7.700 -7.764 -7.825 -7.884 -7.941 -7.997 -8.051 -8.103 -8.155 -8.206 -8.256 -8.305 -8.354 -8.403 -8.451 -8.500 montmorillonite-Na Na.33Mg.33Al1.67Si4O12H2 P-T:All Wt.(g/mol) = 367.020 V(cc/mol) = 137.432 D(g/cc) = 2.671 Ref: Wo90 6 0.330 13 1.670 8 4.000 7 0.330 10 -4.000 2 -6.000 1 4.097 2.381 0.711 -0.789 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.097 2.381 0.711 -0.789 -2.117 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.099 2.383 0.713 -0.787 -2.115 -3.295 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.102 2.386 0.717 -0.783 -2.111 -3.291 -4.354 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.107 2.392 0.724 -0.776 -2.104 -3.284 -4.347 -5.320 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.114 2.402 0.734 -0.766 -2.093 -3.273 -4.335 -5.307 -6.215 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.126 2.416 0.749 -0.750 -2.077 -3.257 -4.318 -5.289 -6.195 -7.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.142 2.436 0.771 -0.728 -2.054 -3.233 -4.293 -5.263 -6.167 -7.033 -7.893 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.163 2.464 0.800 -0.697 -2.023 -3.201 -4.260 -5.228 -6.129 -6.991 -7.845 -8.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.191 2.500 0.839 -0.657 -1.982 -3.158 -4.215 -5.181 -6.079 -6.936 -7.781 -8.648 -9.553 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.226 2.545 0.888 -0.606 -1.930 -3.104 -4.159 -5.121 -6.014 -6.865 -7.700 -8.551 -9.439 -10.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.268 2.601 0.950 -0.542 -1.864 -3.036 -4.088 -5.045 -5.933 -6.776 -7.598 -8.429 -9.291 -10.182 -10.838 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.298 2.643 0.996 -0.494 -1.814 -2.985 -4.034 -4.988 -5.872 -6.708 -7.521 -8.337 -9.178 -10.058 -10.970 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.338 2.700 1.059 -0.428 -1.745 -2.913 -3.959 -4.909 -5.787 -6.614 -7.414 -8.209 -9.019 -9.869 -10.865 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.374 2.754 1.120 -0.364 -1.679 -2.844 -3.887 -4.832 -5.705 -6.524 -7.311 -8.086 -8.867 -9.679 -10.655 -0.915 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.407 2.805 1.177 -0.303 -1.615 -2.778 -3.817 -4.758 -5.625 -6.437 -7.212 -7.969 -8.721 -9.494 -10.413 -7.006 -4.278 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.436 2.852 1.232 -0.244 -1.554 -2.714 -3.750 -4.687 -5.548 -6.353 -7.117 -7.856 -8.583 -9.317 -10.167 -8.390 -7.365 -5.616 -3.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.461 2.897 1.284 -0.188 -1.495 -2.652 -3.685 -4.618 -5.474 -6.271 -7.026 -7.749 -8.452 -9.149 -9.931 -8.961 -8.466 -7.646 -6.398 -4.731 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.483 2.938 1.333 -0.135 -1.438 -2.593 -3.622 -4.551 -5.402 -6.193 -6.938 -7.647 -8.328 -8.993 -9.709 -9.243 -8.985 -8.550 -7.881 -6.937 -5.738 -4.411 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.502 2.977 1.380 -0.083 -1.384 -2.536 -3.562 -4.487 -5.333 -6.117 -6.853 -7.550 -8.212 -8.847 -9.506 -9.390 -9.260 -9.020 -8.639 -8.087 -7.347 -6.439 -5.433 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.518 3.013 1.425 -0.035 -1.332 -2.481 -3.503 -4.425 -5.266 -6.044 -6.772 -7.457 -8.103 -8.713 -9.322 -9.461 -9.410 -9.284 -9.064 -8.732 -8.271 -7.676 -6.964 -6.175 -5.369 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.531 3.047 1.467 0.012 -1.282 -2.428 -3.447 -4.365 -5.201 -5.973 -6.694 -7.369 -8.000 -8.590 -9.158 -9.487 -9.487 -9.433 -9.313 -9.115 -8.826 -8.438 -7.950 -7.376 -6.741 -6.079 -5.423 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.540 3.078 1.506 0.057 -1.235 -2.377 -3.393 -4.307 -5.138 -5.905 -6.619 -7.284 -7.904 -8.477 -9.013 -9.483 -9.519 -9.514 -9.460 -9.349 -9.171 -8.920 -8.591 -8.185 -7.712 -7.189 -6.636 -6.072 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.547 3.106 1.544 0.099 -1.189 -2.328 -3.341 -4.251 -5.078 -5.839 -6.546 -7.204 -7.813 -8.373 -8.886 -9.460 -9.521 -9.550 -9.542 -9.490 -9.389 -9.231 -9.012 -8.731 -8.389 -7.993 -7.554 -7.084 -6.594 -6.095 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.551 3.132 1.579 0.139 -1.145 -2.281 -3.291 -4.196 -5.019 -5.776 -6.476 -7.127 -7.728 -8.278 -8.774 -9.423 -9.503 -9.557 -9.582 -9.572 -9.524 -9.432 -9.292 -9.102 -8.860 -8.569 -8.232 -7.857 -7.452 -7.023 -6.576 99999.999 99999.999 99999.999 99999.999 99999.999 4.552 3.156 1.612 0.178 -1.103 -2.236 -3.242 -4.144 -4.963 -5.714 -6.409 -7.053 -7.648 -8.190 -8.676 -9.377 -9.471 -9.544 -9.592 -9.614 -9.604 -9.560 -9.477 -9.354 -9.188 -8.979 -8.728 -8.439 -8.114 -7.760 -7.381 -6.979 -6.557 99999.999 99999.999 99999.999 4.551 3.177 1.643 0.214 -1.063 -2.193 -3.195 -4.094 -4.908 -5.654 -6.344 -6.983 -7.572 -8.109 -8.589 -9.324 -9.429 -9.516 -9.582 -9.627 -9.646 -9.637 -9.597 -9.524 -9.416 -9.271 -9.089 -8.871 -8.619 -8.336 -8.023 -7.685 -7.322 -6.936 99999.999 99999.999 4.547 3.197 1.672 0.249 -1.024 -2.151 -3.151 -4.045 -4.855 -5.597 -6.281 -6.915 -7.499 -8.032 -8.509 -9.266 -9.379 -9.477 -9.558 -9.620 -9.661 -9.679 -9.671 -9.636 -9.572 -9.477 -9.350 -9.191 -9.000 -8.779 -8.529 -8.251 -7.948 -7.619 -7.266 -6.888 4.541 3.213 1.699 0.281 -0.988 -2.111 -3.107 -3.998 -4.804 -5.541 -6.220 -6.849 -7.429 -7.958 -8.435 -9.205 -9.325 -9.431 -9.522 -9.598 -9.656 -9.694 -9.712 -9.706 -9.676 -9.620 -9.537 -9.425 -9.285 -9.117 -8.922 -8.699 -8.451 -8.178 -7.880 -7.557 4.350 3.276 1.873 0.518 -0.707 -1.794 -2.757 -3.612 -4.378 -5.071 -5.705 -6.287 -6.823 -7.316 -7.767 -8.551 -8.690 -8.822 -8.949 -9.070 -9.185 -9.293 -9.396 -9.493 -9.583 -9.666 -9.743 -9.812 -9.873 -9.927 -9.973 -10.009 -10.037 -10.055 -10.064 -10.063 3.967 3.172 1.897 0.616 -0.558 -1.605 -2.531 -3.351 -4.081 -4.735 -5.328 -5.868 -6.362 -6.816 -7.232 -7.963 -8.095 -8.223 -8.346 -8.466 -8.582 -8.694 -8.802 -8.908 -9.010 -9.110 -9.206 -9.299 -9.390 -9.478 -9.563 -9.646 -9.726 -9.803 -9.877 -9.949 3.430 2.936 1.801 0.602 -0.515 -1.517 -2.406 -3.190 -3.884 -4.503 -5.058 -5.559 -6.015 -6.430 -6.811 -7.478 -7.599 -7.715 -7.829 -7.939 -8.045 -8.149 -8.250 -8.349 -8.446 -8.540 -8.633 -8.723 -8.813 -8.900 -8.987 -9.073 -9.157 -9.241 -9.324 -9.406 2.769 2.591 1.606 0.497 -0.558 -1.513 -2.361 -3.109 -3.769 -4.353 -4.873 -5.339 -5.758 -6.139 -6.484 -7.087 -7.195 -7.300 -7.402 -7.500 -7.596 -7.689 -7.779 -7.868 -7.954 -8.039 -8.122 -8.203 -8.284 -8.363 -8.442 -8.520 -8.598 -8.675 -8.752 -8.829 2.005 2.155 1.329 0.316 -0.673 -1.577 -2.383 -3.094 -3.720 -4.271 -4.758 -5.190 -5.576 -5.923 -6.236 -6.776 -6.872 -6.965 -7.055 -7.142 -7.227 -7.308 -7.388 -7.465 -7.541 -7.615 -7.687 -7.758 -7.828 -7.898 -7.966 -8.034 -8.102 -8.169 -8.237 -8.304 1.155 1.644 0.982 0.070 -0.849 -1.700 -2.462 -3.136 -3.727 -4.246 -4.701 -5.102 -5.456 -5.772 -6.053 -6.534 -6.619 -6.701 -6.779 -6.855 -6.928 -6.999 -7.068 -7.134 -7.199 -7.263 -7.325 -7.385 -7.445 -7.504 -7.562 -7.620 -7.677 -7.734 -7.792 -7.849 0.230 1.067 0.575 -0.233 -1.078 -1.873 -2.590 -3.225 -3.782 -4.268 -4.693 -5.063 -5.388 -5.674 -5.926 -6.350 -6.424 -6.495 -6.563 -6.628 -6.691 -6.752 -6.810 -6.867 -6.921 -6.975 -7.027 -7.077 -7.127 -7.176 -7.224 -7.272 -7.320 -7.367 -7.414 -7.462 99999.999 0.435 0.117 -0.583 -1.353 -2.090 -2.760 -3.356 -3.877 -4.332 -4.726 -5.068 -5.364 -5.622 -5.847 -6.217 -6.281 -6.341 -6.399 -6.454 -6.507 -6.558 -6.607 -6.654 -6.699 -6.743 -6.785 -6.827 -6.867 -6.907 -6.946 -6.985 -7.023 -7.061 -7.099 -7.138 montroydite HgO P-T:All Wt.(g/mol) = 216.590 V(cc/mol) = 19.320 D(g/cc) = 11.211 Ref: Bess05 3 -2.000 1 1.000 20 1.000 2 2.846 2.441 2.111 1.841 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.846 2.441 2.111 1.841 1.618 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.847 2.441 2.111 1.842 1.619 1.431 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.848 2.442 2.112 1.843 1.619 1.431 1.269 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.849 2.444 2.114 1.844 1.621 1.433 1.270 1.127 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.852 2.446 2.116 1.846 1.623 1.435 1.272 1.129 0.998 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.856 2.450 2.119 1.849 1.626 1.438 1.276 1.132 1.001 0.878 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.862 2.455 2.124 1.854 1.631 1.442 1.280 1.137 1.006 0.883 0.759 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.870 2.462 2.131 1.860 1.637 1.448 1.286 1.143 1.013 0.890 0.768 0.638 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.880 2.472 2.140 1.869 1.645 1.456 1.294 1.151 1.022 0.899 0.779 0.651 0.512 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.893 2.484 2.152 1.880 1.656 1.467 1.305 1.162 1.033 0.912 0.792 0.668 0.533 0.389 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.910 2.500 2.166 1.894 1.669 1.480 1.318 1.176 1.047 0.927 0.810 0.690 0.560 0.417 0.285 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.923 2.512 2.178 1.905 1.680 1.490 1.328 1.186 1.058 0.939 0.823 0.706 0.581 0.441 0.276 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.942 2.529 2.194 1.920 1.694 1.505 1.343 1.201 1.073 0.955 0.842 0.728 0.609 0.477 0.306 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.960 2.546 2.210 1.935 1.709 1.519 1.357 1.215 1.088 0.972 0.860 0.750 0.636 0.513 0.350 1.783 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.977 2.562 2.225 1.950 1.723 1.533 1.371 1.229 1.103 0.987 0.878 0.771 0.663 0.547 0.397 0.952 1.331 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.994 2.579 2.241 1.965 1.737 1.547 1.385 1.243 1.118 1.003 0.895 0.791 0.687 0.580 0.445 0.755 0.904 1.147 1.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.011 2.595 2.256 1.979 1.751 1.560 1.398 1.257 1.132 1.018 0.911 0.810 0.711 0.610 0.489 0.675 0.749 0.868 1.040 1.254 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.028 2.611 2.271 1.993 1.765 1.574 1.411 1.271 1.146 1.032 0.927 0.828 0.733 0.639 0.531 0.637 0.677 0.742 0.838 0.967 1.121 1.275 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.044 2.626 2.285 2.007 1.778 1.587 1.425 1.284 1.159 1.047 0.943 0.846 0.754 0.665 0.569 0.618 0.640 0.677 0.734 0.813 0.913 1.030 1.149 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.060 2.641 2.300 2.021 1.792 1.600 1.437 1.297 1.173 1.061 0.958 0.863 0.774 0.690 0.603 0.611 0.621 0.643 0.676 0.725 0.791 0.871 0.963 1.057 1.144 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.076 2.656 2.314 2.035 1.805 1.613 1.450 1.310 1.186 1.075 0.973 0.879 0.793 0.712 0.633 0.610 0.613 0.624 0.644 0.674 0.717 0.771 0.837 0.911 0.987 1.061 1.127 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.092 2.671 2.328 2.048 1.818 1.626 1.463 1.322 1.199 1.088 0.987 0.895 0.810 0.733 0.660 0.613 0.611 0.615 0.626 0.644 0.671 0.708 0.754 0.809 0.869 0.933 0.997 1.057 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.107 2.686 2.342 2.062 1.831 1.638 1.475 1.335 1.211 1.101 1.001 0.910 0.827 0.752 0.684 0.620 0.614 0.613 0.617 0.627 0.644 0.668 0.700 0.739 0.785 0.836 0.890 0.946 1.000 1.053 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.122 2.700 2.356 2.075 1.843 1.650 1.487 1.347 1.224 1.114 1.015 0.925 0.843 0.770 0.704 0.628 0.620 0.615 0.614 0.618 0.628 0.643 0.664 0.692 0.726 0.765 0.809 0.856 0.905 0.954 1.005 99999.999 99999.999 99999.999 99999.999 99999.999 3.137 2.714 2.369 2.088 1.856 1.663 1.499 1.359 1.236 1.127 1.028 0.939 0.858 0.786 0.723 0.638 0.627 0.620 0.616 0.616 0.620 0.628 0.642 0.661 0.685 0.714 0.748 0.786 0.827 0.871 0.917 0.964 1.013 99999.999 99999.999 99999.999 3.151 2.728 2.383 2.101 1.868 1.675 1.511 1.371 1.248 1.140 1.042 0.953 0.873 0.801 0.739 0.648 0.636 0.627 0.620 0.617 0.617 0.620 0.628 0.640 0.657 0.678 0.704 0.733 0.767 0.804 0.843 0.886 0.930 0.977 99999.999 99999.999 3.165 2.742 2.396 2.113 1.880 1.686 1.523 1.383 1.260 1.152 1.054 0.966 0.887 0.816 0.753 0.660 0.647 0.636 0.627 0.621 0.618 0.618 0.621 0.628 0.639 0.653 0.672 0.695 0.721 0.751 0.784 0.820 0.860 0.902 0.946 0.995 3.179 2.756 2.409 2.126 1.892 1.698 1.534 1.394 1.272 1.164 1.067 0.979 0.900 0.829 0.767 0.672 0.657 0.645 0.635 0.627 0.622 0.619 0.619 0.622 0.628 0.637 0.650 0.667 0.687 0.711 0.738 0.768 0.801 0.837 0.877 0.919 3.307 2.883 2.532 2.243 2.006 1.809 1.643 1.503 1.382 1.276 1.183 1.099 1.025 0.958 0.898 0.798 0.780 0.764 0.749 0.734 0.721 0.708 0.696 0.684 0.674 0.665 0.656 0.648 0.642 0.636 0.632 0.629 0.627 0.626 0.627 0.629 3.418 2.997 2.642 2.350 2.109 1.909 1.741 1.600 1.479 1.375 1.284 1.204 1.133 1.069 1.013 0.917 0.900 0.884 0.869 0.854 0.840 0.826 0.813 0.801 0.788 0.777 0.765 0.754 0.743 0.733 0.723 0.713 0.704 0.695 0.686 0.677 3.515 3.099 2.744 2.448 2.204 2.001 1.831 1.689 1.568 1.464 1.375 1.297 1.228 1.168 1.114 1.024 1.009 0.994 0.979 0.965 0.952 0.939 0.927 0.915 0.903 0.892 0.881 0.870 0.859 0.848 0.838 0.828 0.817 0.807 0.797 0.787 3.600 3.193 2.837 2.540 2.293 2.087 1.915 1.771 1.649 1.546 1.458 1.381 1.315 1.256 1.205 1.121 1.106 1.092 1.079 1.066 1.054 1.042 1.031 1.020 1.009 0.999 0.988 0.978 0.969 0.959 0.949 0.940 0.930 0.921 0.912 0.902 3.677 3.280 2.925 2.626 2.376 2.168 1.994 1.848 1.726 1.622 1.534 1.458 1.394 1.337 1.288 1.208 1.194 1.181 1.169 1.157 1.146 1.135 1.125 1.115 1.105 1.096 1.087 1.078 1.069 1.061 1.052 1.044 1.035 1.027 1.019 1.010 3.747 3.362 3.008 2.707 2.455 2.245 2.069 1.922 1.798 1.694 1.605 1.530 1.466 1.412 1.364 1.288 1.275 1.263 1.251 1.240 1.230 1.220 1.211 1.202 1.193 1.185 1.176 1.169 1.161 1.153 1.146 1.139 1.131 1.124 1.117 1.110 3.810 3.438 3.087 2.785 2.531 2.318 2.141 1.992 1.866 1.761 1.673 1.598 1.535 1.481 1.435 1.361 1.349 1.338 1.327 1.317 1.307 1.298 1.289 1.281 1.273 1.266 1.258 1.251 1.244 1.238 1.231 1.225 1.219 1.212 1.206 1.200 99999.999 3.512 3.162 2.859 2.603 2.389 2.209 2.059 1.932 1.826 1.737 1.662 1.599 1.545 1.500 1.430 1.418 1.407 1.397 1.387 1.378 1.370 1.362 1.354 1.347 1.340 1.334 1.327 1.321 1.315 1.310 1.304 1.298 1.293 1.287 1.282 niccolite NiAs P-T:All Wt.(g/mol) = 133.620 V(cc/mol) = 17.650 D(g/cc) = 7.571 Ref: RG97 6 -1.625 1 -0.625 4 -0.500 2 1.000 26 1.000 25 0.625 6 -4.706 -4.558 -4.380 -4.195 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.706 -4.558 -4.380 -4.195 -4.015 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.691 -4.547 -4.370 -4.184 -4.002 -3.829 -3.668 -3.522 -3.392 -3.281 -3.190 -3.126 -3.092 -3.090 -3.079 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.688 -4.545 -4.368 -4.182 -4.000 -3.826 -3.664 -3.517 -3.386 -3.272 -3.180 -3.111 -3.071 -3.064 -3.099 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.684 -4.542 -4.365 -4.179 -3.996 -3.821 -3.659 -3.510 -3.377 -3.261 -3.165 -3.091 -3.042 -3.026 -3.070 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.680 -4.539 -4.362 -4.176 -3.992 -3.817 -3.653 -3.503 -3.368 -3.250 -3.150 -3.071 -3.015 -2.988 -3.022 -0.746 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.676 -4.536 -4.359 -4.173 -3.989 -3.813 -3.648 -3.496 -3.360 -3.240 -3.137 -3.052 -2.989 -2.951 -2.969 -1.938 -1.347 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.673 -4.534 -4.357 -4.170 -3.985 -3.808 -3.642 -3.490 -3.352 -3.229 -3.123 -3.035 -2.964 -2.916 -2.915 -2.212 -1.952 -1.555 -1.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.670 -4.531 -4.354 -4.167 -3.982 -3.804 -3.637 -3.483 -3.344 -3.220 -3.111 -3.018 -2.941 -2.883 -2.865 -2.324 -2.168 -1.950 -1.654 -1.287 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.667 -4.529 -4.352 -4.164 -3.978 -3.800 -3.632 -3.477 -3.336 -3.210 -3.098 -3.002 -2.920 -2.853 -2.818 -2.380 -2.270 -2.127 -1.941 -1.706 -1.429 -1.138 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.665 -4.527 -4.349 -4.162 -3.975 -3.796 -3.627 -3.471 -3.329 -3.201 -3.087 -2.987 -2.899 -2.826 -2.776 -2.409 -2.323 -2.218 -2.088 -1.927 -1.733 -1.512 -1.280 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.662 -4.524 -4.347 -4.159 -3.972 -3.792 -3.622 -3.465 -3.321 -3.191 -3.075 -2.972 -2.881 -2.800 -2.738 -2.423 -2.352 -2.269 -2.170 -2.051 -1.909 -1.745 -1.562 -1.370 -1.181 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.660 -4.522 -4.345 -4.156 -3.969 -3.788 -3.618 -3.459 -3.314 -3.183 -3.064 -2.959 -2.863 -2.777 -2.705 -2.428 -2.367 -2.298 -2.217 -2.124 -2.014 -1.888 -1.746 -1.590 -1.427 -1.263 -1.106 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.658 -4.520 -4.342 -4.154 -3.966 -3.784 -3.613 -3.453 -3.307 -3.174 -3.054 -2.946 -2.847 -2.757 -2.676 -2.428 -2.373 -2.313 -2.245 -2.168 -2.080 -1.979 -1.866 -1.740 -1.604 -1.462 -1.318 -1.175 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.657 -4.519 -4.340 -4.151 -3.963 -3.781 -3.608 -3.448 -3.300 -3.166 -3.044 -2.933 -2.832 -2.738 -2.651 -2.423 -2.374 -2.320 -2.260 -2.194 -2.120 -2.037 -1.944 -1.841 -1.729 -1.608 -1.482 -1.352 -1.221 -1.091 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.655 -4.517 -4.338 -4.149 -3.959 -3.777 -3.604 -3.442 -3.293 -3.157 -3.034 -2.921 -2.818 -2.721 -2.630 -2.416 -2.370 -2.320 -2.267 -2.209 -2.145 -2.074 -1.995 -1.909 -1.815 -1.713 -1.604 -1.490 -1.372 -1.252 -1.130 99999.999 99999.999 99999.999 99999.999 99999.999 -4.654 -4.515 -4.336 -4.146 -3.957 -3.773 -3.599 -3.437 -3.287 -3.149 -3.024 -2.910 -2.805 -2.706 -2.611 -2.407 -2.364 -2.317 -2.268 -2.216 -2.159 -2.097 -2.029 -1.955 -1.874 -1.787 -1.694 -1.594 -1.490 -1.382 -1.270 -1.155 -1.037 99999.999 99999.999 99999.999 -4.653 -4.514 -4.334 -4.144 -3.954 -3.770 -3.595 -3.431 -3.280 -3.142 -3.015 -2.899 -2.792 -2.692 -2.595 -2.397 -2.355 -2.311 -2.266 -2.217 -2.165 -2.110 -2.050 -1.985 -1.915 -1.840 -1.759 -1.672 -1.580 -1.484 -1.383 -1.279 -1.171 -1.059 99999.999 99999.999 -4.652 -4.512 -4.332 -4.141 -3.951 -3.766 -3.591 -3.426 -3.274 -3.134 -3.006 -2.889 -2.781 -2.679 -2.581 -2.386 -2.345 -2.304 -2.260 -2.215 -2.167 -2.116 -2.062 -2.004 -1.942 -1.876 -1.805 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-1.202 -1.158 -1.115 -1.073 -1.031 -0.990 -0.951 -0.912 -0.874 -0.837 -0.801 99999.999 -4.592 -4.311 -4.054 -3.813 -3.583 -3.365 -3.156 -2.957 -2.765 -2.582 -2.407 -2.238 -2.077 -1.922 -1.632 -1.577 -1.523 -1.470 -1.418 -1.366 -1.316 -1.266 -1.218 -1.170 -1.123 -1.077 -1.032 -0.988 -0.944 -0.902 -0.860 -0.819 -0.780 -0.741 -0.703 niccolite NiAs P-T:All Wt.(g/mol) = 133.620 V(cc/mol) = 17.650 D(g/cc) = 7.571 Ref: RG97 5 -1.000 1 -0.500 2 1.000 26 1.000 25 -1.250 31 90.355 81.890 74.645 68.376 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.355 81.890 74.645 68.376 62.890 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.356 81.891 74.646 68.377 62.891 58.041 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.359 81.893 74.647 68.378 62.893 58.043 53.713 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.362 81.896 74.651 68.382 62.896 58.046 53.716 49.815 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.368 81.902 74.656 68.386 62.901 58.051 53.721 49.820 46.273 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.377 81.910 74.664 68.394 62.908 58.059 53.729 49.828 46.281 43.025 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.389 81.921 74.674 68.404 62.919 58.069 53.740 49.839 46.294 43.039 40.016 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.407 81.937 74.690 68.419 62.933 58.084 53.755 49.855 46.311 43.058 40.040 37.196 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.430 81.959 74.710 68.439 62.952 58.103 53.774 49.876 46.333 43.084 40.070 37.236 34.518 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.460 81.986 74.736 68.464 62.977 58.128 53.800 49.903 46.363 43.117 40.109 37.285 34.587 31.933 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.498 82.022 74.770 68.497 63.009 58.160 53.833 49.937 46.400 43.158 40.158 37.347 34.672 32.059 29.339 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.528 82.050 74.796 68.522 63.034 58.185 53.858 49.964 46.428 43.190 40.195 37.394 34.734 32.150 29.488 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.570 82.089 74.833 68.558 63.069 58.220 53.894 50.002 46.469 43.235 40.247 37.458 34.819 32.272 29.685 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.612 82.128 74.870 68.593 63.104 58.255 53.930 50.039 46.508 43.278 40.297 37.519 34.899 32.384 29.862 25.925 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.654 82.166 74.907 68.628 63.139 58.289 53.965 50.075 46.547 43.321 40.346 37.578 34.975 32.488 30.023 26.074 25.216 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.695 82.205 74.943 68.663 63.173 58.323 54.000 50.111 46.585 43.362 40.393 37.634 35.046 32.584 30.169 26.192 25.369 24.524 23.574 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.735 82.243 74.979 68.698 63.207 58.357 54.034 50.147 46.623 43.403 40.439 37.689 35.113 32.674 30.302 26.305 25.495 24.685 23.857 22.973 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.776 82.280 75.015 68.733 63.241 58.391 54.068 50.182 46.660 43.443 40.484 37.741 35.178 32.758 30.423 26.410 25.610 24.816 24.021 23.213 22.370 21.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.816 82.318 75.050 68.767 63.274 58.424 54.102 50.216 46.696 43.483 40.528 37.791 35.238 32.835 30.533 26.507 25.716 24.933 24.155 23.377 22.589 21.780 20.934 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.855 82.355 75.086 68.801 63.307 58.457 54.135 50.251 46.732 43.521 40.570 37.840 35.296 32.908 30.633 26.598 25.814 25.041 24.274 23.513 22.751 21.984 21.204 20.404 19.579 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.895 82.392 75.121 68.835 63.340 58.490 54.168 50.284 46.768 43.559 40.612 37.887 35.351 32.975 30.723 26.683 25.906 25.140 24.383 23.633 22.888 22.144 21.398 20.645 19.881 19.106 18.320 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.934 82.429 75.155 68.868 63.373 58.522 54.200 50.318 46.802 43.596 40.652 37.932 35.403 33.038 30.804 26.764 25.993 25.233 24.483 23.743 23.009 22.280 21.554 20.829 20.101 19.369 18.634 17.897 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.973 82.465 75.190 68.901 63.405 58.554 54.233 50.351 46.837 43.633 40.692 37.976 35.453 33.097 30.878 26.841 26.074 25.320 24.577 23.844 23.119 22.402 21.690 20.982 20.276 19.572 18.869 18.168 17.470 16.779 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 91.011 82.501 75.224 68.934 63.438 58.586 54.265 50.384 46.871 43.669 40.731 38.019 35.501 33.152 30.945 26.914 26.152 25.403 24.665 23.939 23.221 22.513 21.811 21.116 20.426 19.740 19.059 18.382 17.710 17.045 16.391 99999.999 99999.999 99999.999 99999.999 99999.999 91.049 82.537 75.259 68.967 63.470 58.618 54.297 50.416 46.905 43.704 40.769 38.060 35.547 33.204 31.007 26.983 26.226 25.481 24.749 24.028 23.317 22.615 21.922 21.236 20.558 19.885 19.219 18.559 17.906 17.261 16.625 16.002 15.392 99999.999 99999.999 99999.999 91.087 82.573 75.292 69.000 63.501 58.649 54.328 50.448 46.938 43.739 40.806 38.101 35.592 33.254 31.063 27.051 26.296 25.556 24.828 24.112 23.407 22.711 22.025 21.347 20.678 20.015 19.361 18.713 18.073 17.442 16.821 16.211 15.614 15.032 99999.999 99999.999 91.124 82.608 75.326 69.032 63.533 58.680 54.359 50.480 46.971 43.774 40.843 38.140 35.635 33.301 31.116 27.115 26.364 25.627 24.904 24.192 23.492 22.802 22.122 21.451 20.788 20.134 19.488 18.851 18.221 17.601 16.990 16.391 15.804 15.230 14.672 14.131 91.162 82.643 75.360 69.064 63.564 58.711 54.390 50.512 47.003 43.808 40.879 38.179 35.677 33.347 31.166 27.178 26.430 25.696 24.976 24.268 23.572 22.887 22.212 21.547 20.891 20.244 19.605 18.976 18.354 17.743 17.141 16.549 15.970 15.403 14.850 14.313 91.520 82.984 75.684 69.377 63.868 59.009 54.688 50.812 47.311 44.128 41.216 38.536 36.059 33.758 31.612 27.710 26.984 26.273 25.578 24.897 24.229 23.574 22.932 22.301 21.682 21.073 20.475 19.887 19.308 18.739 18.180 17.629 17.088 16.556 16.033 15.519 91.857 83.307 75.994 69.674 64.156 59.291 54.967 51.092 47.595 44.419 41.517 38.851 36.390 34.109 31.984 28.137 27.423 26.726 26.045 25.378 24.726 24.088 23.463 22.850 22.249 21.660 21.081 20.513 19.955 19.407 18.869 18.339 17.818 17.306 16.802 16.307 92.176 83.617 76.290 69.958 64.431 59.560 55.231 51.355 47.859 44.688 41.792 39.136 36.687 34.419 32.311 28.501 27.795 27.107 26.435 25.779 25.137 24.509 23.895 23.293 22.704 22.127 21.561 21.006 20.461 19.927 19.402 18.886 18.379 17.881 17.391 16.909 92.482 83.914 76.575 70.233 64.697 59.819 55.485 51.606 48.110 44.940 42.049 39.399 36.958 34.701 32.604 28.821 28.122 27.440 26.775 26.125 25.490 24.870 24.264 23.670 23.089 22.521 21.964 21.417 20.882 20.357 19.841 19.336 18.839 18.351 17.871 17.399 92.776 84.202 76.852 70.499 64.953 60.068 55.729 51.847 48.349 45.180 42.291 39.645 37.210 34.960 32.872 29.110 28.415 27.738 27.078 26.433 25.804 25.189 24.589 24.001 23.426 22.864 22.313 21.774 21.245 20.727 20.218 19.720 19.230 18.750 18.277 17.813 93.061 84.482 77.121 70.758 65.203 60.310 55.965 52.079 48.579 45.409 42.521 39.878 37.447 35.202 33.120 29.374 28.683 28.010 27.353 26.713 26.088 25.477 24.881 24.298 23.727 23.170 22.624 22.089 21.566 21.053 20.550 20.057 19.573 19.098 18.631 18.173 93.339 84.756 77.384 71.010 65.446 60.546 56.195 52.304 48.801 45.629 42.741 40.099 37.671 35.429 33.353 29.619 28.931 28.260 27.607 26.969 26.347 25.740 25.147 24.567 24.001 23.447 22.905 22.374 21.854 21.345 20.847 20.358 19.878 19.407 18.945 18.491 99999.999 85.024 77.642 71.257 65.684 60.776 56.419 52.523 49.016 45.842 42.953 40.311 37.885 35.646 33.572 29.847 29.162 28.493 27.842 27.207 26.588 25.983 25.393 24.816 24.252 23.701 23.162 22.634 22.118 21.612 21.116 20.630 20.154 19.686 19.228 18.778 nontronite-Ca Ca.165Fe2Al.33Si3.67O12H2 P-T:All Wt.(g/mol) = 424.290 V(cc/mol) = 131.100 D(g/cc) = 3.236 Ref: Wo90 8 0.165 9 2.000 11 0.330 8 3.670 7 -3.680 2 0.250 4 -5.070 1 -0.250 6 8.074 6.745 5.418 4.216 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.074 6.745 5.418 4.216 3.149 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.076 6.747 5.420 4.218 3.150 2.201 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.078 6.750 5.423 4.221 3.154 2.204 1.349 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.082 6.755 5.429 4.227 3.160 2.210 1.355 0.570 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.089 6.763 5.437 4.235 3.169 2.219 1.364 0.580 -0.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.099 6.775 5.450 4.249 3.182 2.233 1.379 0.596 -0.138 -0.846 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.112 6.792 5.468 4.267 3.201 2.253 1.400 0.618 -0.114 -0.820 -1.528 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.131 6.815 5.493 4.293 3.227 2.280 1.428 0.647 -0.082 -0.784 -1.487 -2.224 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.154 6.845 5.525 4.326 3.262 2.315 1.465 0.687 -0.040 -0.737 -1.432 -2.157 -2.940 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.184 6.883 5.566 4.369 3.305 2.361 1.512 0.737 0.015 -0.677 -1.362 -2.072 -2.835 -3.654 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.219 6.930 5.617 4.422 3.360 2.417 1.571 0.800 0.083 -0.601 -1.275 -1.967 -2.702 -3.507 -4.301 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.244 6.964 5.655 4.461 3.401 2.460 1.616 0.848 0.134 -0.544 -1.210 -1.887 -2.602 -3.385 -4.300 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.278 7.012 5.707 4.516 3.458 2.519 1.678 0.914 0.205 -0.465 -1.119 -1.777 -2.463 -3.210 -4.136 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.308 7.056 5.757 4.569 3.513 2.576 1.738 0.977 0.274 -0.389 -1.032 -1.672 -2.331 -3.039 -3.920 1.425 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.334 7.097 5.804 4.619 3.565 2.631 1.796 1.039 0.341 -0.316 -0.948 -1.572 -2.206 -2.875 -3.694 -1.960 -0.516 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.357 7.135 5.848 4.666 3.615 2.683 1.851 1.098 0.404 -0.246 -0.868 -1.477 -2.087 -2.720 -3.473 -2.700 -2.203 -1.317 -0.091 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.377 7.171 5.890 4.712 3.663 2.733 1.904 1.155 0.466 -0.178 -0.791 -1.386 -1.975 -2.575 -3.265 -2.972 -2.773 -2.396 -1.797 -1.011 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.394 7.204 5.930 4.755 3.708 2.782 1.955 1.209 0.525 -0.113 -0.718 -1.300 -1.869 -2.440 -3.072 -3.081 -3.013 -2.850 -2.562 -2.134 -1.596 -1.041 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.408 7.234 5.967 4.795 3.752 2.828 2.004 1.262 0.582 -0.050 -0.647 -1.218 -1.770 -2.315 -2.896 -3.115 -3.118 -3.061 -2.929 -2.707 -2.393 -2.009 -1.605 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.419 7.262 6.002 4.834 3.794 2.872 2.052 1.313 0.637 0.011 -0.579 -1.140 -1.677 -2.199 -2.737 -3.109 -3.153 -3.157 -3.112 -3.008 -2.838 -2.604 -2.321 -2.020 -1.737 99999.999 99999.999 99999.999 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-3.272 -3.315 -3.336 -3.333 -3.304 -3.251 -3.175 -3.079 -2.967 -2.844 -2.712 -2.574 99999.999 99999.999 99999.999 99999.999 99999.999 8.433 7.367 6.145 4.999 3.974 3.066 2.261 1.539 0.884 0.282 -0.278 -0.801 -1.290 -1.747 -2.170 -2.862 -2.977 -3.081 -3.172 -3.250 -3.312 -3.356 -3.382 -3.386 -3.370 -3.333 -3.276 -3.201 -3.110 -3.006 -2.891 -2.765 -2.628 99999.999 99999.999 99999.999 8.428 7.381 6.168 5.027 4.005 3.100 2.298 1.579 0.928 0.330 -0.224 -0.742 -1.226 -1.676 -2.092 -2.797 -2.916 -3.026 -3.126 -3.214 -3.290 -3.352 -3.398 -3.427 -3.438 -3.432 -3.407 -3.365 -3.306 -3.232 -3.143 -3.041 -2.926 -2.797 99999.999 99999.999 8.421 7.394 6.189 5.053 4.034 3.133 2.333 1.618 0.971 0.377 -0.173 -0.685 -1.164 -1.609 -2.020 -2.731 -2.854 -2.968 -3.073 -3.170 -3.255 -3.329 -3.391 -3.438 -3.471 -3.488 -3.489 -3.475 -3.444 -3.398 -3.336 -3.260 -3.170 -3.065 -2.945 -2.808 8.412 7.404 6.208 5.077 4.062 3.163 2.367 1.655 1.011 0.422 -0.123 -0.631 -1.104 -1.545 -1.953 -2.665 -2.789 -2.907 -3.016 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-1.568 -1.636 -1.705 -1.772 -1.839 -1.906 -1.973 -2.040 -2.107 -2.174 -2.241 5.914 6.188 5.600 4.836 4.078 3.383 2.763 2.218 1.739 1.320 0.951 0.625 0.334 0.074 -0.161 -0.568 -0.642 -0.712 -0.781 -0.848 -0.912 -0.976 -1.037 -1.098 -1.157 -1.215 -1.273 -1.330 -1.386 -1.442 -1.498 -1.554 -1.609 -1.665 -1.721 -1.778 5.100 5.672 5.231 4.558 3.865 3.220 2.641 2.131 1.685 1.296 0.956 0.659 0.397 0.166 -0.041 -0.393 -0.455 -0.515 -0.573 -0.629 -0.683 -0.736 -0.787 -0.837 -0.886 -0.934 -0.981 -1.027 -1.073 -1.119 -1.164 -1.209 -1.255 -1.300 -1.346 -1.392 4.218 5.095 4.807 4.229 3.604 3.011 2.475 2.001 1.588 1.229 0.918 0.649 0.415 0.210 0.030 -0.269 -0.321 -0.371 -0.419 -0.465 -0.509 -0.552 -0.594 -0.634 -0.673 -0.712 -0.749 -0.786 -0.823 -0.859 -0.895 -0.930 -0.966 -1.002 -1.038 -1.075 99999.999 4.468 4.337 3.857 3.302 2.762 2.270 1.834 1.454 1.125 0.843 0.600 0.393 0.214 0.060 -0.191 -0.233 -0.273 -0.312 -0.349 -0.384 -0.418 -0.450 -0.481 -0.512 -0.541 -0.570 -0.598 -0.625 -0.653 -0.680 -0.707 -0.734 -0.762 -0.789 -0.817 nontronite-Ca Ca.165Fe2Al.33Si3.67O12H2 P-T:All Wt.(g/mol) = 424.290 V(cc/mol) = 131.100 D(g/cc) = 3.236 Ref: Wo90 7 0.165 9 2.000 11 0.330 8 3.670 7 -3.680 2 0.500 31 -5.320 1 -29.950 -27.834 -26.192 -24.812 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.950 -27.834 -26.192 -24.812 -23.614 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.949 -27.833 -26.190 -24.811 -23.612 -22.554 99999.999 99999.999 99999.999 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-13.437 -13.250 -13.067 -12.888 -12.712 -12.541 -12.374 -12.210 -12.049 -11.892 -11.739 -11.588 -11.440 -11.296 -11.154 -11.015 -10.878 -10.743 -10.611 -10.482 -31.459 -28.249 -26.098 -24.414 -22.996 -21.754 -20.641 -19.630 -18.703 -17.849 -17.059 -16.326 -15.645 -15.009 -14.413 -13.326 -13.124 -12.926 -12.733 -12.545 -12.360 -12.180 -12.004 -11.832 -11.665 -11.501 -11.341 -11.185 -11.033 -10.885 -10.740 -10.600 -10.462 -10.329 -10.199 -10.072 -32.236 -28.737 -26.442 -24.669 -23.188 -21.896 -20.742 -19.694 -18.732 -17.845 -17.022 -16.257 -15.543 -14.875 -14.248 -13.103 -12.890 -12.681 -12.478 -12.278 -12.084 -11.893 -11.707 -11.526 -11.348 -11.175 -11.006 -10.841 -10.681 -10.524 -10.371 -10.222 -10.078 -9.937 -9.800 -9.667 -33.106 -29.305 -26.859 -24.991 -23.442 -22.098 -20.900 -19.814 -18.819 -17.899 -17.044 -16.247 -15.502 -14.804 -14.148 -12.947 -12.723 -12.503 -12.289 -12.080 -11.875 -11.674 -11.478 -11.287 -11.099 -10.917 -10.738 -10.563 -10.393 -10.227 -10.065 -9.907 -9.753 -9.603 -9.457 -9.316 -34.055 -29.941 -27.337 -25.370 -23.750 -22.351 -21.108 -19.983 -18.952 -18.000 -17.114 -16.287 -15.513 -14.786 -14.101 -12.846 -12.612 -12.383 -12.158 -11.939 -11.724 -11.514 -11.308 -11.107 -10.910 -10.718 -10.530 -10.346 -10.166 -9.991 -9.820 -9.653 -9.490 -9.331 -9.176 -9.025 -35.070 -30.634 -27.868 -25.798 -24.103 -22.647 -21.357 -20.192 -19.126 -18.141 -17.225 -16.369 -15.566 -14.811 -14.100 -12.794 -12.550 -12.310 -12.076 -11.847 -11.623 -11.404 -11.189 -10.978 -10.773 -10.571 -10.374 -10.182 -9.993 -9.809 -9.629 -9.454 -9.282 -9.114 -8.951 -8.791 99999.999 -31.378 -28.444 -26.268 -24.497 -22.981 -21.643 -20.437 -19.335 -18.318 -17.371 -16.487 -15.657 -14.875 -14.138 -12.782 -12.529 -12.280 -12.037 -11.799 -11.565 -11.337 -11.114 -10.895 -10.680 -10.471 -10.265 -10.064 -9.868 -9.675 -9.487 -9.303 -9.124 -8.948 -8.776 -8.609 nontronite-H H.33Fe2Al.33Si3.67O12H2 P-T:All Wt.(g/mol) = 418.010 V(cc/mol) = 132.270 D(g/cc) = 3.160 Ref: Wo90 7 2.000 11 0.330 8 3.670 7 -3.680 2 0.250 4 -4.740 1 -0.250 6 6.995 5.787 4.565 3.454 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.995 5.787 4.565 3.454 2.468 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.996 5.789 4.567 3.456 2.469 1.592 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.998 5.792 4.570 3.459 2.473 1.595 0.805 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.002 5.797 4.575 3.465 2.478 1.601 0.811 0.086 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.009 5.805 4.584 3.473 2.487 1.610 0.820 0.096 -0.582 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.018 5.816 4.596 3.486 2.500 1.624 0.835 0.111 -0.566 -1.221 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.031 5.833 4.614 3.505 2.519 1.643 0.855 0.133 -0.543 -1.195 -1.852 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.049 5.855 4.638 3.530 2.545 1.669 0.882 0.162 -0.512 -1.160 -1.812 -2.497 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.072 5.885 4.670 3.562 2.578 1.704 0.918 0.200 -0.470 -1.115 -1.758 -2.432 -3.163 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.100 5.921 4.710 3.604 2.621 1.748 0.965 0.249 -0.417 -1.056 -1.691 -2.350 -3.061 -3.828 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.133 5.967 4.760 3.656 2.675 1.804 1.023 0.311 -0.351 -0.982 -1.606 -2.247 -2.933 -3.686 -4.433 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.157 6.001 4.797 3.695 2.715 1.845 1.066 0.357 -0.301 -0.927 -1.542 -2.170 -2.836 -3.568 -4.430 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.189 6.046 4.848 3.748 2.771 1.903 1.127 0.422 -0.231 -0.850 -1.454 -2.064 -2.702 -3.399 -4.270 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.217 6.089 4.896 3.799 2.824 1.959 1.186 0.484 -0.164 -0.776 -1.369 -1.962 -2.574 -3.234 -4.061 1.055 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.242 6.129 4.942 3.848 2.875 2.012 1.242 0.544 -0.100 -0.705 -1.288 -1.865 -2.452 -3.075 -3.843 -2.169 -0.789 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.264 6.166 4.985 3.895 2.924 2.064 1.296 0.602 -0.037 -0.636 -1.210 -1.773 -2.337 -2.926 -3.630 -2.870 -2.393 -1.546 -0.374 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.282 6.200 5.026 3.939 2.970 2.113 1.348 0.657 0.023 -0.570 -1.136 -1.685 -2.229 -2.786 -3.429 -3.126 -2.933 -2.571 -1.996 -1.244 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.298 6.232 5.064 3.981 3.015 2.160 1.398 0.710 0.080 -0.507 -1.064 -1.601 -2.127 -2.655 -3.244 -3.228 -3.159 -2.999 -2.721 -2.311 -1.795 -1.263 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.310 6.261 5.100 4.021 3.058 2.205 1.446 0.762 0.136 -0.446 -0.995 -1.521 -2.031 -2.534 -3.074 -3.258 -3.256 -3.198 -3.068 -2.854 -2.552 -2.182 -1.794 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.320 6.288 5.134 4.059 3.098 2.248 1.492 0.811 0.190 -0.387 -0.929 -1.445 -1.941 -2.422 -2.921 -3.250 -3.287 -3.287 -3.240 -3.137 -2.972 -2.746 -2.473 -2.183 -1.911 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.327 6.313 5.166 4.094 3.137 2.289 1.536 0.859 0.241 -0.330 -0.866 -1.373 -1.856 -2.320 -2.783 -3.220 -3.282 -3.318 -3.321 -3.285 -3.205 -3.078 -2.907 -2.702 -2.481 -2.263 -2.067 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.331 6.335 5.196 4.128 3.174 2.329 1.578 0.905 0.291 -0.275 -0.805 -1.305 -1.777 -2.225 -2.661 -3.176 -3.255 -3.315 -3.350 -3.357 -3.332 -3.271 -3.175 -3.045 -2.888 -2.716 -2.539 -2.369 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.333 6.355 5.223 4.160 3.209 2.367 1.619 0.949 0.339 -0.223 -0.747 -1.239 -1.702 -2.138 -2.553 -3.124 -3.215 -3.290 -3.347 -3.383 -3.394 -3.379 -3.335 -3.262 -3.163 -3.042 -2.905 -2.760 -2.613 -2.467 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.332 6.372 5.249 4.191 3.242 2.403 1.658 0.991 0.385 -0.172 -0.691 -1.177 -1.632 -2.058 -2.458 -3.066 -3.165 -3.251 -3.324 -3.379 -3.416 -3.432 -3.425 -3.395 -3.341 -3.266 -3.171 -3.061 -2.940 -2.812 -2.677 99999.999 99999.999 99999.999 99999.999 99999.999 7.328 6.388 5.273 4.219 3.274 2.438 1.696 1.032 0.430 -0.123 -0.637 -1.117 -1.566 -1.984 -2.373 -3.005 -3.110 -3.204 -3.287 -3.356 -3.411 -3.450 -3.470 -3.471 -3.452 -3.413 -3.355 -3.281 -3.191 -3.089 -2.976 -2.852 -2.718 99999.999 99999.999 99999.999 7.323 6.402 5.295 4.246 3.304 2.471 1.732 1.071 0.473 -0.076 -0.585 -1.060 -1.503 -1.916 -2.297 -2.942 -3.051 -3.151 -3.241 -3.321 -3.388 -3.443 -3.483 -3.507 -3.515 -3.505 -3.478 -3.434 -3.375 -3.301 -3.214 -3.113 -3.000 -2.874 99999.999 99999.999 7.315 6.413 5.315 4.271 3.333 2.502 1.766 1.109 0.514 -0.031 -0.535 -1.005 -1.443 -1.851 -2.228 -2.878 -2.989 -3.093 -3.189 -3.276 -3.353 -3.420 -3.474 -3.516 -3.543 -3.556 -3.554 -3.536 -3.504 -3.456 -3.395 -3.319 -3.230 -3.127 -3.009 -2.875 7.304 6.423 5.333 4.294 3.360 2.532 1.799 1.145 0.554 0.013 -0.487 -0.952 -1.386 -1.789 -2.163 -2.813 -2.926 -3.033 -3.133 -3.226 -3.310 -3.385 -3.450 -3.505 -3.547 -3.578 -3.595 -3.599 -3.589 -3.565 -3.527 -3.476 -3.410 -3.330 -3.236 -3.127 7.088 6.423 5.431 4.448 3.553 2.758 2.055 1.433 0.877 0.374 -0.085 -0.508 -0.899 -1.262 -1.599 -2.204 -2.315 -2.423 -2.529 -2.631 -2.731 -2.828 -2.922 -3.014 -3.102 -3.188 -3.271 -3.350 -3.426 -3.497 -3.565 -3.629 -3.688 -3.742 -3.791 -3.834 6.697 6.274 5.394 4.477 3.629 2.871 2.201 1.610 1.087 0.618 0.195 -0.190 -0.543 -0.868 -1.169 -1.707 -1.806 -1.903 -1.998 -2.090 -2.181 -2.270 -2.357 -2.443 -2.527 -2.611 -2.692 -2.773 -2.853 -2.932 -3.009 -3.086 -3.161 -3.236 -3.309 -3.381 6.169 6.006 5.250 4.408 3.611 2.894 2.259 1.701 1.208 0.772 0.382 0.031 -0.287 -0.578 -0.844 -1.317 -1.404 -1.488 -1.571 -1.651 -1.730 -1.807 -1.882 -1.957 -2.031 -2.103 -2.175 -2.246 -2.317 -2.387 -2.457 -2.527 -2.596 -2.666 -2.735 -2.805 5.528 5.640 5.017 4.256 3.516 2.843 2.245 1.720 1.259 0.854 0.495 0.176 -0.111 -0.370 -0.605 -1.016 -1.091 -1.163 -1.233 -1.302 -1.369 -1.434 -1.498 -1.561 -1.623 -1.685 -1.745 -1.805 -1.865 -1.924 -1.983 -2.042 -2.101 -2.160 -2.220 -2.280 4.794 5.193 4.711 4.036 3.357 2.731 2.172 1.681 1.251 0.876 0.547 0.258 0.001 -0.228 -0.434 -0.788 -0.851 -0.912 -0.972 -1.029 -1.085 -1.139 -1.193 -1.245 -1.296 -1.346 -1.396 -1.445 -1.493 -1.542 -1.590 -1.638 -1.687 -1.735 -1.784 -1.834 3.983 4.678 4.342 3.759 3.144 2.567 2.049 1.592 1.194 0.849 0.549 0.288 0.059 -0.142 -0.320 -0.620 -0.673 -0.724 -0.773 -0.820 -0.866 -0.910 -0.953 -0.995 -1.036 -1.076 -1.115 -1.154 -1.193 -1.231 -1.270 -1.308 -1.346 -1.385 -1.423 -1.463 3.105 4.104 3.920 3.431 2.883 2.358 1.882 1.461 1.096 0.780 0.508 0.274 0.072 -0.103 -0.254 -0.504 -0.547 -0.588 -0.627 -0.665 -0.701 -0.736 -0.769 -0.802 -0.833 -0.864 -0.894 -0.924 -0.953 -0.982 -1.011 -1.040 -1.070 -1.099 -1.128 -1.158 99999.999 3.480 3.452 3.060 2.582 2.110 1.677 1.294 0.961 0.675 0.430 0.223 0.047 -0.103 -0.230 -0.432 -0.465 -0.497 -0.527 -0.555 -0.583 -0.608 -0.633 -0.657 -0.680 -0.702 -0.724 -0.745 -0.766 -0.786 -0.807 -0.828 -0.848 -0.869 -0.891 -0.912 nontronite-H H.33Fe2Al.33Si3.67O12H2 P-T:All Wt.(g/mol) = 418.010 V(cc/mol) = 132.270 D(g/cc) = 3.160 Ref: Wo90 6 2.000 11 0.330 8 3.670 7 -3.680 2 0.500 31 -4.990 1 -31.030 -28.792 -27.045 -25.574 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -31.030 -28.792 -27.045 -25.574 -24.295 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -31.029 -28.791 -27.043 -25.573 -24.293 -23.163 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -31.028 -28.789 -27.041 -25.570 -24.290 -23.160 -22.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.962 -28.693 -26.934 -25.457 -24.172 -23.036 -22.025 -21.123 -20.323 -19.619 -19.016 -18.523 -18.144 -17.849 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.942 -28.661 -26.896 -25.417 -24.130 -22.992 -21.978 -21.073 -20.268 -19.558 -18.945 -18.437 -18.038 -17.745 -17.400 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.929 -28.637 -26.869 -25.387 -24.099 -22.959 -21.943 -21.035 -20.227 -19.512 -18.892 -18.372 -17.958 -17.654 -17.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.912 -28.606 -26.832 -25.346 -24.056 -22.913 -21.894 -20.983 -20.169 -19.448 -18.819 -18.283 -17.846 -17.518 -17.372 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.899 -28.578 -26.797 -25.308 -24.015 -22.870 -21.847 -20.933 -20.115 -19.388 -18.748 -18.198 -17.739 -17.382 -17.215 -9.614 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.890 -28.552 -26.765 -25.272 -23.976 -22.828 -21.803 -20.885 -20.062 -19.329 -18.681 -18.117 -17.638 -17.251 -17.039 -13.373 -11.414 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.882 -28.476 -26.660 -25.151 -23.842 -22.683 -21.646 -20.713 -19.874 -19.119 -18.441 -17.832 -17.286 -16.798 -16.397 -14.824 -14.472 -14.058 -13.565 -12.975 -12.280 -11.499 -10.680 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.887 -28.464 -26.639 -25.125 -23.814 -22.652 -21.611 -20.675 -19.832 -19.072 -18.388 -17.770 -17.212 -16.706 -16.269 -14.858 -14.554 -14.211 -13.818 -13.362 -12.836 -12.237 -11.580 -10.893 -10.215 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.895 -28.453 -26.620 -25.102 -23.787 -22.622 -21.578 -20.639 -19.791 -19.027 -18.336 -17.711 -17.142 -16.621 -16.154 -14.864 -14.592 -14.293 -13.961 -13.588 -13.166 -12.691 -12.165 -11.596 -11.004 -10.411 -9.837 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.906 -28.445 -26.604 -25.080 -23.762 -22.594 -21.547 -20.604 -19.753 -18.984 -18.288 -17.656 -17.077 -16.543 -16.053 -14.853 -14.602 -14.333 -14.041 -13.721 -13.367 -12.975 -12.543 -12.072 -11.570 -11.048 -10.520 -9.998 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.919 -28.439 -26.589 -25.061 -23.738 -22.567 -21.517 -20.571 -19.716 -18.942 -18.241 -17.603 -17.017 -16.472 -15.965 -14.829 -14.594 -14.346 -14.082 -13.798 -13.490 -13.154 -12.788 -12.391 -11.965 -11.514 -11.046 -10.568 -10.090 -9.615 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.935 -28.435 -26.576 -25.043 -23.716 -22.542 -21.489 -20.539 -19.680 -18.903 -18.197 -17.553 -16.960 -16.408 -15.888 -14.798 -14.574 -14.341 -14.096 -13.838 -13.562 -13.267 -12.948 -12.605 -12.238 -11.847 -11.436 -11.010 -10.573 -10.131 -9.685 99999.999 99999.999 99999.999 99999.999 99999.999 -30.953 -28.433 -26.565 -25.026 -23.696 -22.519 -21.463 -20.509 -19.647 -18.865 -18.154 -17.505 -16.907 -16.348 -15.820 -14.761 -14.545 -14.323 -14.094 -13.854 -13.601 -13.334 -13.050 -12.747 -12.425 -12.082 -11.721 -11.342 -10.950 -10.546 -10.134 -9.715 -9.290 99999.999 99999.999 99999.999 -30.973 -28.433 -26.556 -25.012 -23.678 -22.497 -21.437 -20.481 -19.614 -18.828 -18.113 -17.460 -16.857 -16.294 -15.760 -14.721 -14.511 -14.297 -14.078 -13.852 -13.617 -13.371 -13.113 -12.840 -12.552 -12.247 -11.926 -11.588 -11.236 -10.872 -10.495 -10.109 -9.714 -9.310 99999.999 99999.999 -30.996 -28.435 -26.548 -24.999 -23.661 -22.476 -21.414 -20.454 -19.584 -18.794 -18.074 -17.416 -16.809 -16.243 -15.706 -14.678 -14.473 -14.266 -14.055 -13.839 -13.617 -13.387 -13.148 -12.898 -12.635 -12.360 -12.071 -11.768 -11.451 -11.122 -10.780 -10.427 -10.064 -9.690 -9.306 -8.912 -31.021 -28.439 -26.543 -24.987 -23.645 -22.457 -21.392 -20.428 -19.555 -18.761 -18.037 -17.375 -16.764 -16.194 -15.656 -14.634 -14.432 -14.229 -14.025 -13.817 -13.605 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-27.332 -25.468 -23.907 -22.546 -21.330 -20.228 -19.217 -18.285 -17.421 -16.618 -15.870 -15.169 -14.513 -13.313 -13.089 -12.871 -12.657 -12.448 -12.244 -12.045 -11.850 -11.660 -11.474 -11.292 -11.115 -10.942 -10.773 -10.608 -10.448 -10.291 -10.139 -9.991 -9.846 -9.706 -34.226 -30.300 -27.749 -25.791 -24.163 -22.750 -21.491 -20.351 -19.307 -18.343 -17.448 -16.614 -15.835 -15.106 -14.420 -13.166 -12.932 -12.704 -12.480 -12.261 -12.047 -11.838 -11.634 -11.434 -11.238 -11.047 -10.860 -10.678 -10.500 -10.326 -10.157 -9.992 -9.830 -9.673 -9.520 -9.371 -35.172 -30.934 -28.226 -26.169 -24.471 -23.004 -21.700 -20.521 -19.443 -18.447 -17.522 -16.659 -15.851 -15.093 -14.381 -13.074 -12.830 -12.592 -12.358 -12.130 -11.906 -11.688 -11.474 -11.265 -11.060 -10.860 -10.664 -10.473 -10.286 -10.103 -9.925 -9.751 -9.581 -9.415 -9.253 -9.096 -36.183 -31.626 -28.755 -26.596 -24.824 -23.300 -21.950 -20.732 -19.618 -18.590 -17.636 -16.744 -15.909 -15.124 -14.385 -13.029 -12.775 -12.527 -12.285 -12.047 -11.814 -11.587 -11.364 -11.146 -10.933 -10.724 -10.519 -10.320 -10.124 -9.933 -9.746 -9.564 -9.385 -9.211 -9.041 -8.875 99999.999 -32.366 -29.329 -27.064 -25.216 -23.634 -22.236 -20.978 -19.828 -18.768 -17.784 -16.864 -16.002 -15.192 -14.427 -13.023 -12.761 -12.503 -12.252 -12.005 -11.764 -11.528 -11.297 -11.070 -10.849 -10.632 -10.419 -10.211 -10.008 -9.809 -9.614 -9.424 -9.238 -9.056 -8.878 -8.704 nontronite-K K.33Fe2Al.33Si3.67O12H2 P-T:All Wt.(g/mol) = 430.580 V(cc/mol) = 135.270 D(g/cc) = 3.183 Ref: Wo90 8 0.330 12 2.000 11 0.330 8 3.670 7 -3.680 2 0.250 4 -5.070 1 -0.250 6 7.607 6.462 5.293 4.225 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.607 6.462 5.293 4.225 3.276 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.621 6.480 5.311 4.244 3.295 2.451 1.689 0.989 0.331 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.630 6.492 5.324 4.257 3.309 2.464 1.703 1.004 0.347 -0.290 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.643 6.508 5.341 4.275 3.327 2.483 1.723 1.025 0.370 -0.264 -0.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.661 6.531 5.365 4.300 3.353 2.510 1.750 1.054 0.401 -0.229 -0.866 -1.539 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.684 6.560 5.397 4.333 3.386 2.544 1.786 1.092 0.443 -0.183 -0.812 -1.474 -2.196 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.713 6.597 5.437 4.374 3.429 2.588 1.833 1.141 0.496 -0.125 -0.744 -1.392 -2.094 -2.856 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.747 6.642 5.486 4.426 3.482 2.643 1.890 1.203 0.562 -0.051 -0.659 -1.288 -1.964 -2.711 -3.458 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.771 6.676 5.523 4.464 3.522 2.685 1.934 1.249 0.612 0.004 -0.596 -1.211 -1.866 -2.592 -3.453 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.803 6.721 5.574 4.518 3.577 2.742 1.994 1.313 0.682 0.081 -0.507 -1.104 -1.731 -2.421 -3.290 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.831 6.764 5.622 4.569 3.630 2.798 2.053 1.375 0.749 0.155 -0.422 -1.002 -1.602 -2.254 -3.078 2.073 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.856 6.803 5.667 4.617 3.681 2.851 2.108 1.435 0.813 0.226 -0.341 -0.904 -1.480 -2.095 -2.858 -1.156 0.229 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.878 6.840 5.710 4.663 3.729 2.901 2.162 1.492 0.875 0.295 -0.263 -0.812 -1.365 -1.944 -2.643 -1.859 -1.378 -0.528 0.645 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.896 6.874 5.750 4.707 3.775 2.950 2.214 1.548 0.935 0.361 -0.188 -0.723 -1.256 -1.803 -2.440 -2.115 -1.919 -1.554 -0.976 -0.223 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.912 6.905 5.788 4.748 3.820 2.997 2.263 1.601 0.992 0.424 -0.117 -0.639 -1.153 -1.671 -2.252 -2.216 -2.145 -1.982 -1.702 -1.289 -0.772 -0.240 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.924 6.934 5.824 4.787 3.862 3.041 2.311 1.652 1.048 0.485 -0.048 -0.559 -1.057 -1.549 -2.081 -2.246 -2.241 -2.180 -2.048 -1.831 -1.528 -1.157 -0.769 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.934 6.961 5.857 4.825 3.902 3.084 2.356 1.701 1.101 0.544 0.018 -0.483 -0.966 -1.437 -1.926 -2.237 -2.272 -2.269 -2.220 -2.114 -1.947 -1.719 -1.446 -1.156 -0.884 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.940 6.985 5.888 4.860 3.940 3.125 2.400 1.748 1.153 0.600 0.081 -0.411 -0.881 -1.334 -1.788 -2.207 -2.266 -2.300 -2.300 -2.262 -2.180 -2.051 -1.878 -1.673 -1.451 -1.234 -1.039 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.944 7.006 5.917 4.893 3.976 3.164 2.442 1.793 1.202 0.655 0.142 -0.342 -0.802 -1.239 -1.665 -2.162 -2.239 -2.295 -2.328 -2.333 -2.306 -2.243 -2.145 -2.013 -1.856 -1.683 -1.507 -1.338 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.946 7.026 5.944 4.925 4.011 3.201 2.482 1.837 1.250 0.707 0.200 -0.277 -0.727 -1.151 -1.556 -2.109 -2.197 -2.270 -2.324 -2.358 -2.367 -2.350 -2.304 -2.230 -2.129 -2.007 -1.870 -1.725 -1.578 -1.432 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 7.944 7.043 5.970 4.954 4.044 3.237 2.521 1.879 1.296 0.758 0.256 -0.214 -0.657 -1.071 -1.460 -2.051 -2.147 -2.231 -2.300 -2.354 -2.388 -2.402 -2.394 -2.362 -2.306 -2.229 -2.134 -2.023 -1.902 -1.773 -1.638 99999.999 99999.999 99999.999 99999.999 99999.999 7.940 7.058 5.993 4.982 4.075 3.271 2.558 1.919 1.340 0.806 0.310 -0.155 -0.590 -0.997 -1.375 -1.990 -2.091 -2.183 -2.263 -2.330 -2.383 -2.419 -2.437 -2.436 -2.416 -2.376 -2.317 -2.241 -2.151 -2.048 -1.934 -1.810 -1.676 99999.999 99999.999 99999.999 7.934 7.071 6.014 5.008 4.104 3.304 2.593 1.958 1.382 0.853 0.362 -0.098 -0.528 -0.928 -1.299 -1.926 -2.032 -2.129 -2.217 -2.294 -2.359 -2.412 -2.449 -2.472 -2.477 -2.466 -2.438 -2.393 -2.333 -2.258 -2.170 -2.069 -1.955 -1.828 99999.999 99999.999 7.926 7.082 6.033 5.033 4.132 3.334 2.627 1.995 1.423 0.898 0.412 -0.043 -0.468 -0.863 -1.229 -1.861 -1.970 -2.071 -2.164 -2.249 -2.323 -2.388 -2.440 -2.479 -2.505 -2.516 -2.513 -2.494 -2.460 -2.411 -2.349 -2.272 -2.182 -2.078 -1.960 -1.825 7.915 7.091 6.051 5.055 4.158 3.364 2.660 2.031 1.463 0.942 0.460 0.010 -0.410 -0.801 -1.164 -1.796 -1.907 -2.010 -2.108 -2.197 -2.279 -2.352 -2.415 -2.468 -2.509 -2.537 -2.553 -2.555 -2.544 -2.519 -2.480 -2.427 -2.361 -2.280 -2.185 -2.075 7.690 7.082 6.140 5.201 4.344 3.583 2.910 2.314 1.781 1.299 0.858 0.452 0.075 -0.275 -0.600 -1.185 -1.292 -1.397 -1.499 -1.599 -1.695 -1.790 -1.881 -1.970 -2.057 -2.140 -2.220 -2.298 -2.372 -2.442 -2.508 -2.570 -2.627 -2.680 -2.727 -2.769 7.290 6.923 6.094 5.222 4.412 3.688 3.049 2.485 1.985 1.538 1.134 0.766 0.429 0.117 -0.171 -0.687 -0.783 -0.876 -0.967 -1.056 -1.143 -1.229 -1.313 -1.396 -1.478 -1.558 -1.638 -1.716 -1.794 -1.870 -1.946 -2.020 -2.094 -2.166 -2.238 -2.308 6.748 6.643 5.938 5.142 4.385 3.703 3.099 2.568 2.100 1.686 1.316 0.983 0.681 0.405 0.151 -0.298 -0.381 -0.461 -0.540 -0.616 -0.691 -0.765 -0.838 -0.909 -0.979 -1.049 -1.118 -1.186 -1.255 -1.322 -1.390 -1.457 -1.525 -1.592 -1.659 -1.727 6.092 6.264 5.694 4.979 4.280 3.643 3.077 2.580 2.144 1.761 1.423 1.123 0.853 0.609 0.388 0.001 -0.069 -0.137 -0.204 -0.268 -0.331 -0.393 -0.454 -0.513 -0.572 -0.630 -0.687 -0.744 -0.801 -0.857 -0.914 -0.970 -1.027 -1.084 -1.141 -1.199 5.342 5.802 5.375 4.748 4.111 3.521 2.995 2.532 2.129 1.777 1.469 1.199 0.959 0.746 0.555 0.226 0.168 0.111 0.056 0.003 -0.049 -0.100 -0.149 -0.197 -0.245 -0.292 -0.338 -0.384 -0.429 -0.475 -0.520 -0.566 -0.612 -0.658 -0.704 -0.751 4.512 5.272 4.993 4.458 3.886 3.347 2.862 2.435 2.064 1.743 1.464 1.223 1.012 0.827 0.665 0.391 0.343 0.297 0.252 0.209 0.168 0.128 0.089 0.051 0.014 -0.023 -0.059 -0.094 -0.130 -0.165 -0.200 -0.235 -0.271 -0.307 -0.343 -0.379 3.615 4.682 4.556 4.118 3.614 3.127 2.685 2.295 1.957 1.666 1.416 1.202 1.019 0.862 0.725 0.503 0.465 0.429 0.395 0.362 0.330 0.300 0.270 0.242 0.214 0.187 0.160 0.134 0.108 0.083 0.057 0.031 0.005 -0.021 -0.048 -0.075 99999.999 4.041 4.073 3.734 3.301 2.868 2.471 2.119 1.814 1.553 1.331 1.145 0.988 0.856 0.745 0.572 0.543 0.516 0.491 0.468 0.445 0.424 0.403 0.384 0.365 0.347 0.329 0.311 0.294 0.277 0.260 0.242 0.225 0.207 0.189 0.170 nontronite-K K.33Fe2Al.33Si3.67O12H2 P-T:All Wt.(g/mol) = 430.580 V(cc/mol) = 135.270 D(g/cc) = 3.183 Ref: Wo90 7 0.330 12 2.000 11 0.330 8 3.670 7 -3.680 2 0.500 31 -5.320 1 -30.418 -28.117 -26.317 -24.803 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.418 -28.117 -26.317 -24.803 -23.486 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.417 -28.116 -26.316 -24.802 -23.485 -22.322 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.416 -28.113 -26.314 -24.799 -23.482 -22.319 -21.287 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.413 -28.110 -26.309 -24.795 -23.478 -22.315 -21.282 -20.366 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.409 -28.104 -26.303 -24.788 -23.471 -22.307 -21.274 -20.357 -19.547 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.402 -28.095 -26.293 -24.778 -23.460 -22.296 -21.263 -20.345 -19.533 -18.826 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.393 -28.083 -26.280 -24.763 -23.445 -22.281 -21.246 -20.327 -19.514 -18.804 -18.205 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.382 -28.066 -26.261 -24.744 -23.425 -22.259 -21.224 -20.303 -19.488 -18.775 -18.171 -17.687 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.367 -28.045 -26.237 -24.719 -23.398 -22.232 -21.194 -20.272 -19.453 -18.737 -18.127 -17.633 -17.260 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.349 -28.018 -26.207 -24.686 -23.364 -22.196 -21.157 -20.231 -19.410 -18.688 -18.070 -17.564 -17.176 -16.876 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.329 -27.986 -26.170 -24.647 -23.323 -22.152 -21.110 -20.181 -19.355 -18.627 -17.999 -17.478 -17.069 -16.771 -16.424 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.315 -27.962 -26.142 -24.617 -23.292 -22.119 -21.075 -20.143 -19.314 -18.581 -17.946 -17.413 -16.988 -16.678 -16.488 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.299 -27.931 -26.106 -24.577 -23.249 -22.074 -21.027 -20.091 -19.257 -18.517 -17.872 -17.323 -16.876 -16.540 -16.392 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.286 -27.903 -26.071 -24.539 -23.208 -22.031 -20.981 -20.041 -19.202 -18.456 -17.801 -17.238 -16.768 -16.403 -16.232 -8.596 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.276 -27.878 -26.040 -24.504 -23.170 -21.990 -20.937 -19.994 -19.150 -18.398 -17.734 -17.156 -16.666 -16.270 -16.054 -12.361 -10.397 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.269 -27.855 -26.010 -24.471 -23.134 -21.951 -20.895 -19.948 -19.100 -18.342 -17.670 -17.079 -16.569 -16.144 -15.877 -13.220 -12.306 -10.960 -9.196 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.266 -27.836 -25.983 -24.440 -23.100 -21.914 -20.855 -19.905 -19.052 -18.289 -17.608 -17.006 -16.478 -16.026 -15.707 -13.567 -12.984 -12.208 -11.181 -9.927 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.266 -27.818 -25.959 -24.411 -23.068 -21.880 -20.817 -19.863 -19.006 -18.237 -17.550 -16.936 -16.392 -15.916 -15.549 -13.732 -13.297 -12.759 -12.087 -11.257 -10.292 -9.281 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.268 -27.804 -25.936 -24.384 -23.038 -21.847 -20.781 -19.823 -18.962 -18.188 -17.494 -16.871 -16.312 -15.814 -15.405 -13.812 -13.457 -13.041 -12.545 -11.953 -11.256 -10.474 -9.655 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.274 -27.791 -25.916 -24.359 -23.010 -21.815 -20.747 -19.785 -18.920 -18.141 -17.440 -16.808 -16.237 -15.720 -15.275 -13.846 -13.539 -13.193 -12.797 -12.340 -11.811 -11.211 -10.552 -9.865 -9.188 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.282 -27.781 -25.898 -24.336 -22.984 -21.786 -20.714 -19.749 -18.880 -18.096 -17.389 -16.749 -16.167 -15.634 -15.159 -13.851 -13.576 -13.275 -12.940 -12.565 -12.141 -11.664 -11.136 -10.566 -9.974 -9.381 -8.809 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.293 -27.773 -25.882 -24.315 -22.959 -21.758 -20.683 -19.715 -18.842 -18.053 -17.341 -16.693 -16.102 -15.556 -15.057 -13.839 -13.585 -13.314 -13.020 -12.697 -12.341 -11.947 -11.513 -11.041 -10.538 -10.015 -9.487 -8.966 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.306 -27.768 -25.868 -24.296 -22.936 -21.732 -20.654 -19.682 -18.805 -18.012 -17.294 -16.641 -16.041 -15.485 -14.968 -13.815 -13.576 -13.326 -13.059 -12.773 -12.463 -12.125 -11.757 -11.359 -10.931 -10.479 -10.010 -9.533 -9.054 -8.580 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.322 -27.764 -25.856 -24.279 -22.915 -21.708 -20.626 -19.651 -18.770 -17.973 -17.250 -16.591 -15.984 -15.420 -14.890 -13.783 -13.556 -13.320 -13.073 -12.812 -12.535 -12.237 -11.916 -11.572 -11.203 -10.810 -10.399 -9.972 -9.535 -9.092 -8.647 99999.999 99999.999 99999.999 99999.999 99999.999 -30.341 -27.763 -25.845 -24.263 -22.896 -21.685 -20.600 -19.622 -18.737 -17.935 -17.207 -16.543 -15.931 -15.361 -14.822 -13.746 -13.527 -13.302 -13.070 -12.827 -12.573 -12.304 -12.018 -11.713 -11.389 -11.045 -10.682 -10.302 -9.909 -9.505 -9.092 -8.673 -8.248 99999.999 99999.999 99999.999 -30.362 -27.764 -25.837 -24.249 -22.878 -21.664 -20.576 -19.594 -18.705 -17.899 -17.167 -16.498 -15.881 -15.306 -14.762 -13.705 -13.492 -13.276 -13.054 -12.825 -12.588 -12.340 -12.079 -11.805 -11.515 -11.208 -10.885 -10.547 -10.194 -9.828 -9.451 -9.065 -8.669 -8.264 99999.999 99999.999 -30.385 -27.766 -25.830 -24.237 -22.861 -21.644 -20.553 -19.567 -18.675 -17.865 -17.128 -16.455 -15.834 -15.255 -14.708 -13.662 -13.454 -13.243 -13.030 -12.811 -12.587 -12.355 -12.113 -11.861 -11.597 -11.320 -11.030 -10.725 -10.408 -10.077 -9.734 -9.380 -9.016 -8.642 -8.257 -7.862 -30.411 -27.771 -25.825 -24.226 -22.846 -21.626 -20.531 -19.542 -18.646 -17.832 -17.091 -16.413 -15.788 -15.207 -14.657 -13.617 -13.412 -13.207 -12.999 -12.789 -12.574 -12.354 -12.127 -11.893 -11.649 -11.395 -11.130 -10.853 -10.565 -10.265 -9.953 -9.630 -9.296 -8.952 -8.597 -8.232 -30.779 -27.912 -25.860 -24.197 -22.771 -21.513 -20.384 -19.360 -18.428 -17.576 -16.795 -16.078 -15.415 -14.798 -14.222 -13.167 -12.969 -12.774 -12.584 -12.396 -12.211 -12.029 -11.850 -11.673 -11.497 -11.323 -11.150 -10.978 -10.806 -10.634 -10.462 -10.288 -10.114 -9.938 -9.760 -9.580 -31.321 -28.201 -26.026 -24.288 -22.810 -21.509 -20.343 -19.285 -18.318 -17.430 -16.613 -15.858 -15.159 -14.508 -13.900 -12.792 -12.585 -12.384 -12.187 -11.994 -11.806 -11.621 -11.441 -11.265 -11.093 -10.924 -10.759 -10.597 -10.439 -10.283 -10.131 -9.982 -9.835 -9.691 -9.550 -9.411 -32.001 -28.606 -26.297 -24.477 -22.939 -21.592 -20.387 -19.293 -18.291 -17.370 -16.518 -15.729 -14.995 -14.312 -13.671 -12.505 -12.288 -12.076 -11.869 -11.667 -11.469 -11.276 -11.087 -10.903 -10.724 -10.548 -10.377 -10.210 -10.047 -9.888 -9.733 -9.581 -9.434 -9.291 -9.151 -9.015 -32.793 -29.109 -26.655 -24.745 -23.143 -21.747 -20.499 -19.368 -18.332 -17.377 -16.493 -15.672 -14.906 -14.190 -13.520 -12.296 -12.068 -11.845 -11.627 -11.415 -11.207 -11.004 -10.805 -10.612 -10.422 -10.238 -10.057 -9.881 -9.709 -9.542 -9.379 -9.220 -9.065 -8.914 -8.768 -8.625 -33.679 -29.691 -27.085 -25.079 -23.410 -21.960 -20.669 -19.500 -18.429 -17.442 -16.526 -15.673 -14.877 -14.131 -13.431 -12.152 -11.913 -11.680 -11.452 -11.229 -11.011 -10.798 -10.590 -10.386 -10.187 -9.993 -9.803 -9.617 -9.436 -9.260 -9.087 -8.919 -8.755 -8.596 -8.440 -8.289 -34.643 -30.340 -27.576 -25.470 -23.729 -22.224 -20.887 -19.679 -18.573 -17.553 -16.606 -15.724 -14.898 -14.124 -13.396 -12.063 -11.814 -11.571 -11.333 -11.100 -10.873 -10.650 -10.432 -10.219 -10.011 -9.807 -9.608 -9.413 -9.223 -9.037 -8.856 -8.679 -8.506 -8.337 -8.173 -8.012 -35.673 -31.048 -28.119 -25.909 -24.093 -22.531 -21.147 -19.898 -18.757 -17.704 -16.727 -15.815 -14.962 -14.160 -13.405 -12.022 -11.763 -11.510 -11.263 -11.020 -10.783 -10.552 -10.325 -10.103 -9.885 -9.673 -9.465 -9.261 -9.062 -8.868 -8.678 -8.492 -8.311 -8.134 -7.961 -7.792 99999.999 -31.805 -28.708 -26.391 -24.498 -22.875 -21.443 -20.153 -18.976 -17.890 -16.883 -15.943 -15.061 -14.233 -13.453 -12.020 -11.752 -11.490 -11.234 -10.982 -10.737 -10.496 -10.260 -10.030 -9.804 -9.583 -9.367 -9.155 -8.948 -8.745 -8.547 -8.354 -8.164 -7.979 -7.799 -7.622 nontronite-Mg Mg.165Fe2Al.33Si3.67O12H2 P-T:All Wt.(g/mol) = 421.690 V(cc/mol) = 129.760 D(g/cc) = 3.250 Ref: Wo90 8 0.165 10 2.000 11 0.330 8 3.670 7 -3.680 2 0.250 4 -5.070 1 -0.250 6 8.085 6.707 5.340 4.104 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.085 6.707 5.340 4.104 3.009 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.087 6.709 5.342 4.106 3.011 2.038 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.089 6.712 5.345 4.109 3.014 2.041 1.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.093 6.717 5.350 4.115 3.020 2.047 1.172 0.370 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.100 6.725 5.359 4.123 3.029 2.056 1.182 0.381 -0.368 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.109 6.737 5.371 4.136 3.042 2.070 1.196 0.396 -0.352 -1.072 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.123 6.754 5.389 4.155 3.061 2.090 1.217 0.418 -0.328 -1.046 -1.766 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.141 6.777 5.414 4.180 3.087 2.117 1.245 0.448 -0.296 -1.010 -1.724 -2.471 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.164 6.806 5.446 4.213 3.121 2.152 1.282 0.487 -0.254 -0.963 -1.669 -2.404 -3.196 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.193 6.844 5.486 4.256 3.165 2.197 1.329 0.537 -0.199 -0.903 -1.599 -2.319 -3.090 -3.915 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.227 6.890 5.537 4.308 3.219 2.253 1.388 0.600 -0.131 -0.827 -1.512 -2.213 -2.957 -3.768 -4.561 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.252 6.924 5.575 4.348 3.260 2.296 1.433 0.648 -0.080 -0.770 -1.447 -2.133 -2.857 -3.647 -4.565 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.284 6.970 5.626 4.402 3.317 2.355 1.495 0.714 -0.009 -0.691 -1.356 -2.023 -2.717 -3.471 -4.403 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.313 7.014 5.675 4.454 3.371 2.411 1.554 0.777 0.060 -0.615 -1.268 -1.918 -2.585 -3.299 -4.187 1.333 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.339 7.054 5.722 4.504 3.423 2.466 1.612 0.838 0.126 -0.542 -1.185 -1.818 -2.459 -3.135 -3.960 -2.160 -0.665 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.361 7.092 5.765 4.551 3.472 2.518 1.667 0.897 0.190 -0.472 -1.104 -1.722 -2.339 -2.979 -3.738 -2.925 -2.408 -1.488 -0.212 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.380 7.127 5.807 4.596 3.520 2.568 1.720 0.954 0.252 -0.404 -1.027 -1.631 -2.227 -2.833 -3.529 -3.209 -2.999 -2.605 -1.980 -1.160 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.396 7.159 5.846 4.638 3.565 2.615 1.770 1.008 0.311 -0.339 -0.954 -1.545 -2.121 -2.698 -3.335 -3.326 -3.251 -3.077 -2.774 -2.326 -1.762 -1.177 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.409 7.189 5.882 4.679 3.608 2.661 1.819 1.061 0.368 -0.276 -0.883 -1.462 -2.022 -2.572 -3.158 -3.365 -3.362 -3.298 -3.156 -2.922 -2.591 -2.187 -1.759 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.419 7.216 5.917 4.717 3.649 2.705 1.866 1.111 0.423 -0.216 -0.815 -1.384 -1.928 -2.456 -2.998 -3.362 -3.403 -3.402 -3.350 -3.236 -3.055 -2.807 -2.507 -2.187 -1.884 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.426 7.241 5.949 4.753 3.688 2.747 1.911 1.160 0.476 -0.157 -0.750 -1.309 -1.841 -2.349 -2.855 -3.335 -3.403 -3.441 -3.444 -3.404 -3.315 -3.175 -2.987 -2.761 -2.516 -2.274 -2.054 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.430 7.263 5.979 4.788 3.726 2.788 1.954 1.207 0.526 -0.101 -0.687 -1.238 -1.759 -2.251 -2.728 -3.293 -3.379 -3.443 -3.481 -3.488 -3.459 -3.392 -3.285 -3.141 -2.967 -2.776 -2.580 -2.390 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.432 7.283 6.007 4.820 3.762 2.826 1.996 1.252 0.576 -0.047 -0.627 -1.171 -1.682 -2.161 -2.616 -3.242 -3.340 -3.422 -3.484 -3.522 -3.533 -3.515 -3.466 -3.385 -3.274 -3.139 -2.988 -2.826 -2.662 -2.498 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.431 7.301 6.033 4.851 3.795 2.863 2.036 1.295 0.623 0.005 -0.569 -1.107 -1.609 -2.078 -2.517 -3.184 -3.292 -3.386 -3.464 -3.524 -3.563 -3.579 -3.571 -3.536 -3.475 -3.391 -3.285 -3.163 -3.028 -2.885 -2.735 99999.999 99999.999 99999.999 99999.999 99999.999 8.428 7.317 6.057 4.879 3.828 2.898 2.074 1.337 0.668 0.055 -0.514 -1.045 -1.541 -2.002 -2.429 -3.123 -3.237 -3.339 -3.429 -3.505 -3.564 -3.604 -3.625 -3.625 -3.603 -3.558 -3.493 -3.410 -3.310 -3.196 -3.070 -2.933 -2.784 99999.999 99999.999 99999.999 8.422 7.331 6.079 4.906 3.858 2.931 2.110 1.377 0.712 0.103 -0.461 -0.986 -1.476 -1.931 -2.351 -3.059 -3.177 -3.286 -3.385 -3.471 -3.544 -3.603 -3.645 -3.670 -3.677 -3.665 -3.634 -3.584 -3.517 -3.435 -3.337 -3.226 -3.101 -2.961 99999.999 99999.999 8.414 7.343 6.100 4.932 3.887 2.963 2.145 1.415 0.755 0.150 -0.409 -0.929 -1.414 -1.865 -2.280 -2.993 -3.115 -3.229 -3.333 -3.428 -3.512 -3.583 -3.642 -3.686 -3.715 -3.727 -3.723 -3.702 -3.665 -3.611 -3.542 -3.458 -3.359 -3.245 -3.115 -2.968 8.404 7.352 6.118 4.955 3.914 2.994 2.179 1.452 0.795 0.195 -0.359 -0.875 -1.355 -1.801 -2.213 -2.928 -3.052 -3.168 -3.277 -3.378 -3.469 -3.551 -3.621 -3.680 -3.725 -3.757 -3.775 -3.777 -3.765 -3.737 -3.694 -3.636 -3.563 -3.475 -3.371 -3.251 8.184 7.351 6.215 5.110 4.109 3.223 2.440 1.746 1.126 0.565 0.053 -0.418 -0.853 -1.257 -1.631 -2.302 -2.425 -2.544 -2.660 -2.773 -2.883 -2.990 -3.093 -3.193 -3.290 -3.384 -3.474 -3.560 -3.643 -3.721 -3.794 -3.863 -3.926 -3.985 -4.037 -4.083 7.787 7.198 6.176 5.138 4.185 3.336 2.587 1.927 1.340 0.816 0.342 -0.090 -0.486 -0.850 -1.187 -1.789 -1.899 -2.007 -2.113 -2.216 -2.317 -2.415 -2.512 -2.607 -2.701 -2.793 -2.883 -2.972 -3.060 -3.146 -3.231 -3.315 -3.398 -3.479 -3.559 -3.638 7.250 6.924 6.027 5.065 4.165 3.358 2.646 2.018 1.465 0.974 0.534 0.138 -0.221 -0.549 -0.851 -1.385 -1.482 -1.578 -1.670 -1.761 -1.849 -1.936 -2.021 -2.105 -2.187 -2.268 -2.349 -2.428 -2.507 -2.585 -2.663 -2.740 -2.817 -2.893 -2.970 -3.047 6.598 6.550 5.789 4.910 4.068 3.306 2.631 2.037 1.516 1.057 0.651 0.288 -0.038 -0.334 -0.602 -1.072 -1.157 -1.240 -1.320 -1.398 -1.475 -1.549 -1.622 -1.694 -1.765 -1.834 -1.903 -1.970 -2.038 -2.105 -2.171 -2.238 -2.304 -2.370 -2.437 -2.504 5.851 6.094 5.476 4.684 3.904 3.190 2.555 1.997 1.508 1.081 0.705 0.373 0.078 -0.186 -0.424 -0.834 -0.908 -0.979 -1.048 -1.114 -1.179 -1.242 -1.304 -1.364 -1.424 -1.482 -1.539 -1.596 -1.652 -1.707 -1.763 -1.818 -1.873 -1.928 -1.984 -2.040 5.025 5.568 5.099 4.400 3.685 3.022 2.428 1.906 1.450 1.053 0.707 0.405 0.139 -0.096 -0.305 -0.659 -0.722 -0.782 -0.840 -0.896 -0.950 -1.003 -1.054 -1.104 -1.152 -1.200 -1.247 -1.293 -1.338 -1.384 -1.428 -1.473 -1.518 -1.563 -1.608 -1.653 4.131 4.983 4.667 4.065 3.419 2.808 2.257 1.772 1.349 0.983 0.666 0.392 0.154 -0.054 -0.235 -0.537 -0.589 -0.639 -0.687 -0.733 -0.777 -0.820 -0.861 -0.901 -0.940 -0.978 -1.015 -1.052 -1.088 -1.123 -1.159 -1.194 -1.229 -1.264 -1.300 -1.335 99999.999 4.346 4.189 3.685 3.110 2.554 2.048 1.601 1.212 0.876 0.587 0.340 0.129 -0.052 -0.208 -0.460 -0.502 -0.543 -0.581 -0.618 -0.653 -0.686 -0.718 -0.749 -0.779 -0.808 -0.836 -0.864 -0.891 -0.918 -0.944 -0.971 -0.997 -1.024 -1.050 -1.078 nontronite-Mg Mg.165Fe2Al.33Si3.67O12H2 P-T:All Wt.(g/mol) = 421.690 V(cc/mol) = 129.760 D(g/cc) = 3.250 Ref: Wo90 7 0.165 10 2.000 11 0.330 8 3.670 7 -3.680 2 0.500 31 -5.320 1 -29.939 -27.872 -26.270 -24.924 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.939 -27.872 -26.270 -24.924 -23.753 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.938 -27.871 -26.269 -24.923 -23.752 -22.717 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.937 -27.868 -26.266 -24.920 -23.749 -22.714 -21.794 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.934 -27.865 -26.262 -24.916 -23.745 -22.709 -21.789 -20.974 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.929 -27.859 -26.255 -24.909 -23.737 -22.702 -21.781 -20.965 -20.246 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.923 -27.850 -26.245 -24.899 -23.727 -22.690 -21.769 -20.952 -20.232 -19.608 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.914 -27.837 -26.231 -24.884 -23.711 -22.674 -21.752 -20.934 -20.212 -19.586 -19.065 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.902 -27.820 -26.213 -24.864 -23.690 -22.652 -21.729 -20.909 -20.185 -19.556 -19.030 -18.619 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.887 -27.798 -26.188 -24.838 -23.663 -22.624 -21.699 -20.877 -20.150 -19.517 -18.984 -18.563 -18.259 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.869 -27.771 -26.157 -24.805 -23.628 -22.587 -21.661 -20.835 -20.105 -19.466 -18.925 -18.492 -18.173 -17.936 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.848 -27.738 -26.119 -24.764 -23.586 -22.542 -21.612 -20.784 -20.048 -19.403 -18.852 -18.402 -18.063 -17.828 -17.528 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.834 -27.714 -26.091 -24.734 -23.553 -22.508 -21.576 -20.745 -20.006 -19.355 -18.796 -18.335 -17.979 -17.733 -17.600 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.817 -27.682 -26.053 -24.692 -23.509 -22.462 -21.527 -20.691 -19.947 -19.290 -18.720 -18.242 -17.862 -17.590 -17.506 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.804 -27.653 -26.018 -24.653 -23.468 -22.417 -21.479 -20.640 -19.890 -19.227 -18.647 -18.154 -17.750 -17.448 -17.341 -9.336 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.793 -27.627 -25.985 -24.617 -23.428 -22.375 -21.434 -20.590 -19.836 -19.166 -18.578 -18.070 -17.644 -17.310 -17.157 -13.365 -11.290 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.786 -27.603 -25.954 -24.583 -23.391 -22.335 -21.390 -20.543 -19.785 -19.109 -18.511 -17.990 -17.543 -17.179 -16.972 -14.287 -13.336 -11.920 -10.054 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.782 -27.583 -25.927 -24.551 -23.356 -22.297 -21.349 -20.498 -19.735 -19.053 -18.447 -17.914 -17.449 -17.056 -16.796 -14.661 -14.064 -13.259 -12.185 -10.864 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.781 -27.565 -25.901 -24.521 -23.323 -22.261 -21.310 -20.455 -19.688 -19.000 -18.387 -17.842 -17.360 -16.942 -16.632 -14.842 -14.403 -13.854 -13.158 -12.294 -11.282 -10.218 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.784 -27.549 -25.878 -24.493 -23.292 -22.227 -21.272 -20.414 -19.642 -18.949 -18.329 -17.773 -17.277 -16.836 -16.481 -14.931 -14.578 -14.159 -13.654 -13.043 -12.320 -11.503 -10.645 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.788 -27.536 -25.856 -24.467 -23.262 -22.194 -21.237 -20.375 -19.599 -18.901 -18.273 -17.709 -17.199 -16.739 -16.346 -14.971 -14.669 -14.326 -13.927 -13.461 -12.919 -12.298 -11.614 -10.897 -10.188 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.796 -27.525 -25.837 -24.443 -23.235 -22.164 -21.203 -20.337 -19.557 -18.854 -18.220 -17.647 -17.127 -16.650 -16.226 -14.980 -14.712 -14.416 -14.084 -13.706 -13.276 -12.788 -12.244 -11.655 -11.039 -10.421 -9.824 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.807 -27.516 -25.820 -24.421 -23.209 -22.135 -21.171 -20.302 -19.517 -18.809 -18.170 -17.589 -17.059 -16.569 -16.120 -14.970 -14.726 -14.462 -14.172 -13.852 -13.495 -13.095 -12.653 -12.168 -11.649 -11.109 -10.561 -10.019 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.820 -27.510 -25.805 -24.401 -23.186 -22.108 -21.140 -20.268 -19.479 -18.767 -18.121 -17.535 -16.996 -16.495 -16.028 -14.947 -14.720 -14.478 -14.218 -13.937 -13.629 -13.291 -12.919 -12.514 -12.076 -11.612 -11.128 -10.634 -10.138 -9.646 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.835 -27.506 -25.792 -24.383 -23.163 -22.082 -21.112 -20.235 -19.443 -18.726 -18.075 -17.483 -16.937 -16.428 -15.947 -14.916 -14.700 -14.475 -14.237 -13.983 -13.709 -13.414 -13.093 -12.746 -12.372 -11.972 -11.550 -11.111 -10.661 -10.204 -9.743 99999.999 99999.999 99999.999 99999.999 99999.999 -29.853 -27.504 -25.781 -24.366 -23.143 -22.058 -21.084 -20.205 -19.408 -18.686 -18.031 -17.433 -16.882 -16.366 -15.876 -14.879 -14.672 -14.459 -14.236 -14.002 -13.754 -13.489 -13.206 -12.901 -12.575 -12.227 -11.859 -11.471 -11.068 -10.653 -10.228 -9.795 -9.356 99999.999 99999.999 99999.999 -29.874 -27.504 -25.772 -24.351 -23.124 -22.036 -21.059 -20.175 -19.375 -18.649 -17.989 -17.386 -16.830 -16.309 -15.814 -14.838 -14.638 -14.433 -14.222 -14.003 -13.773 -13.531 -13.275 -13.004 -12.714 -12.407 -12.081 -11.738 -11.379 -11.005 -10.619 -10.222 -9.814 -9.397 99999.999 99999.999 -29.896 -27.506 -25.764 -24.338 -23.107 -22.015 -21.034 -20.148 -19.343 -18.613 -17.949 -17.341 -16.780 -16.256 -15.758 -14.794 -14.599 -14.401 -14.199 -13.991 -13.775 -13.550 -13.315 -13.068 -12.807 -12.531 -12.240 -11.934 -11.613 -11.277 -10.927 -10.566 -10.193 -9.808 -9.413 -9.005 -29.921 -27.509 -25.758 -24.326 -23.091 -21.996 -21.012 -20.121 -19.313 -18.579 -17.910 -17.298 -16.733 -16.206 -15.706 -14.748 -14.557 -14.365 -14.169 -13.969 -13.764 -13.553 -13.333 -13.105 -12.866 -12.615 -12.352 -12.075 -11.786 -11.483 -11.167 -10.839 -10.498 -10.146 -9.783 -9.408 -30.285 -27.644 -25.785 -24.288 -23.006 -21.873 -20.854 -19.928 -19.083 -18.310 -17.600 -16.947 -16.343 -15.781 -15.254 -14.284 -14.101 -13.922 -13.745 -13.571 -13.399 -13.229 -13.062 -12.896 -12.731 -12.567 -12.404 -12.240 -12.077 -11.913 -11.748 -11.582 -11.413 -11.243 -11.070 -10.894 -30.823 -27.925 -25.943 -24.372 -23.037 -21.861 -20.804 -19.843 -18.962 -18.152 -17.405 -16.714 -16.073 -15.475 -14.916 -13.893 -13.702 -13.515 -13.333 -13.154 -12.979 -12.808 -12.640 -12.476 -12.316 -12.158 -12.004 -11.853 -11.705 -11.560 -11.417 -11.277 -11.140 -11.004 -10.871 -10.740 -31.499 -28.325 -26.208 -24.553 -23.159 -21.936 -20.840 -19.842 -18.927 -18.082 -17.300 -16.574 -15.897 -15.266 -14.673 -13.591 -13.390 -13.192 -13.000 -12.811 -12.627 -12.447 -12.271 -12.099 -11.931 -11.767 -11.607 -11.451 -11.299 -11.150 -11.005 -10.864 -10.726 -10.592 -10.462 -10.335 -32.288 -28.822 -26.560 -24.815 -23.356 -22.084 -20.945 -19.910 -18.960 -18.081 -17.266 -16.506 -15.797 -15.133 -14.510 -13.369 -13.156 -12.947 -12.744 -12.545 -12.350 -12.160 -11.974 -11.793 -11.615 -11.442 -11.273 -11.107 -10.946 -10.789 -10.636 -10.487 -10.342 -10.201 -10.063 -9.930 -33.170 -29.399 -26.984 -25.143 -23.616 -22.291 -21.108 -20.035 -19.050 -18.138 -17.290 -16.499 -15.759 -15.064 -14.411 -13.213 -12.989 -12.770 -12.556 -12.346 -12.141 -11.941 -11.745 -11.553 -11.366 -11.183 -11.004 -10.829 -10.658 -10.492 -10.330 -10.171 -10.017 -9.866 -9.720 -9.578 -34.130 -30.044 -27.470 -25.528 -23.930 -22.548 -21.320 -20.208 -19.187 -18.242 -17.363 -16.542 -15.771 -15.047 -14.365 -13.113 -12.879 -12.650 -12.425 -12.206 -11.991 -11.781 -11.575 -11.374 -11.177 -10.984 -10.796 -10.611 -10.432 -10.256 -10.084 -9.916 -9.753 -9.593 -9.438 -9.286 -35.156 -30.747 -28.008 -25.962 -24.289 -22.850 -21.574 -20.421 -19.365 -18.387 -17.478 -16.626 -15.827 -15.075 -14.366 -13.062 -12.818 -12.579 -12.344 -12.115 -11.891 -11.671 -11.456 -11.246 -11.040 -10.838 -10.641 -10.447 -10.259 -10.074 -9.893 -9.717 -9.545 -9.377 -9.212 -9.052 99999.999 -31.500 -28.592 -26.439 -24.688 -23.190 -21.865 -20.671 -19.578 -18.567 -17.627 -16.747 -15.920 -15.141 -14.406 -13.052 -12.798 -12.549 -12.306 -12.068 -11.834 -11.606 -11.382 -11.163 -10.948 -10.738 -10.532 -10.330 -10.133 -9.940 -9.751 -9.567 -9.386 -9.210 -9.038 -8.870 nontronite-Na Na.33Fe2Al.33Si3.67O12H2 P-T:All Wt.(g/mol) = 425.260 V(cc/mol) = 132.110 D(g/cc) = 3.219 Ref: Wo90 8 0.330 13 2.000 11 0.330 8 3.670 7 -3.680 2 0.250 4 -5.070 1 -0.250 6 8.027 6.801 5.565 4.446 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.027 6.801 5.565 4.446 3.455 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.029 6.803 5.567 4.448 3.457 2.578 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.031 6.805 5.570 4.451 3.460 2.581 1.791 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.035 6.810 5.576 4.456 3.466 2.587 1.797 1.075 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.042 6.818 5.584 4.465 3.474 2.596 1.807 1.085 0.409 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.051 6.830 5.596 4.478 3.488 2.609 1.821 1.100 0.426 -0.226 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.065 6.847 5.614 4.496 3.506 2.629 1.841 1.121 0.449 -0.200 -0.854 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.083 6.869 5.638 4.521 3.532 2.655 1.869 1.151 0.480 -0.165 -0.813 -1.497 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.106 6.899 5.670 4.554 3.565 2.689 1.905 1.189 0.522 -0.119 -0.760 -1.432 -2.162 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.134 6.936 5.710 4.595 3.608 2.734 1.951 1.238 0.575 -0.060 -0.691 -1.348 -2.059 -2.829 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.169 6.981 5.759 4.647 3.661 2.789 2.009 1.300 0.641 0.014 -0.606 -1.245 -1.929 -2.683 -3.436 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.193 7.015 5.796 4.685 3.701 2.830 2.052 1.346 0.691 0.069 -0.542 -1.167 -1.831 -2.564 -3.432 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.226 7.060 5.847 4.739 3.756 2.888 2.113 1.410 0.761 0.147 -0.453 -1.059 -1.694 -2.392 -3.268 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.254 7.103 5.895 4.789 3.809 2.943 2.171 1.472 0.828 0.221 -0.368 -0.957 -1.565 -2.224 -3.055 2.147 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.280 7.143 5.940 4.838 3.860 2.996 2.227 1.532 0.893 0.292 -0.286 -0.859 -1.442 -2.063 -2.832 -1.110 0.288 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.302 7.180 5.983 4.884 3.908 3.047 2.281 1.590 0.955 0.361 -0.208 -0.766 -1.326 -1.911 -2.616 -1.819 -1.333 -0.474 0.710 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.321 7.214 6.023 4.927 3.954 3.096 2.332 1.645 1.015 0.427 -0.133 -0.677 -1.216 -1.769 -2.412 -2.078 -1.879 -1.509 -0.925 -0.164 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.336 7.245 6.061 4.969 3.999 3.142 2.382 1.698 1.072 0.490 -0.061 -0.593 -1.113 -1.637 -2.222 -2.181 -2.108 -1.942 -1.657 -1.239 -0.716 -0.179 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.349 7.274 6.097 5.008 4.041 3.187 2.429 1.749 1.128 0.551 0.008 -0.512 -1.016 -1.514 -2.050 -2.211 -2.205 -2.142 -2.007 -1.787 -1.479 -1.103 -0.711 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.359 7.301 6.130 5.046 4.081 3.230 2.475 1.798 1.181 0.610 0.074 -0.436 -0.925 -1.401 -1.894 -2.203 -2.237 -2.232 -2.181 -2.073 -1.902 -1.671 -1.393 -1.099 -0.824 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.366 7.325 6.162 5.081 4.119 3.271 2.519 1.845 1.233 0.667 0.137 -0.364 -0.840 -1.297 -1.755 -2.172 -2.231 -2.263 -2.262 -2.222 -2.137 -2.006 -1.830 -1.620 -1.395 -1.174 -0.976 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.370 7.346 6.191 5.114 4.155 3.310 2.561 1.891 1.282 0.722 0.198 -0.295 -0.760 -1.201 -1.631 -2.128 -2.204 -2.260 -2.291 -2.294 -2.265 -2.200 -2.099 -1.964 -1.803 -1.627 -1.447 -1.275 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.372 7.366 6.218 5.145 4.190 3.347 2.601 1.935 1.330 0.774 0.256 -0.229 -0.685 -1.114 -1.522 -2.075 -2.163 -2.234 -2.288 -2.320 -2.327 -2.308 -2.260 -2.183 -2.079 -1.954 -1.814 -1.665 -1.515 -1.366 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 8.371 7.383 6.243 5.175 4.222 3.382 2.640 1.976 1.376 0.825 0.313 -0.166 -0.614 -1.033 -1.425 -2.017 -2.112 -2.195 -2.264 -2.316 -2.349 -2.361 -2.351 -2.316 -2.258 -2.179 -2.080 -1.966 -1.842 -1.710 -1.572 99999.999 99999.999 99999.999 99999.999 99999.999 8.367 7.398 6.266 5.203 4.253 3.416 2.677 2.017 1.420 0.873 0.366 -0.106 -0.548 -0.959 -1.339 -1.955 -2.056 -2.147 -2.226 -2.292 -2.344 -2.378 -2.395 -2.392 -2.369 -2.326 -2.265 -2.186 -2.093 -1.987 -1.870 -1.743 -1.605 99999.999 99999.999 99999.999 8.361 7.411 6.287 5.229 4.283 3.449 2.712 2.055 1.463 0.920 0.418 -0.049 -0.485 -0.890 -1.263 -1.891 -1.996 -2.093 -2.180 -2.256 -2.320 -2.371 -2.408 -2.428 -2.432 -2.418 -2.387 -2.340 -2.276 -2.199 -2.107 -2.003 -1.886 -1.756 99999.999 99999.999 8.353 7.422 6.307 5.253 4.311 3.480 2.746 2.093 1.504 0.966 0.468 0.006 -0.425 -0.824 -1.193 -1.826 -1.934 -2.035 -2.127 -2.211 -2.285 -2.347 -2.398 -2.436 -2.460 -2.469 -2.463 -2.442 -2.405 -2.354 -2.288 -2.209 -2.116 -2.008 -1.886 -1.748 8.342 7.431 6.325 5.276 4.337 3.509 2.778 2.128 1.543 1.009 0.516 0.059 -0.367 -0.762 -1.127 -1.761 -1.871 -1.974 -2.071 -2.160 -2.240 -2.312 -2.374 -2.424 -2.464 -2.490 -2.504 -2.504 -2.490 -2.463 -2.421 -2.365 -2.295 -2.212 -2.113 -1.999 8.121 7.423 6.413 5.421 4.522 3.727 3.028 2.411 1.861 1.366 0.915 0.502 0.120 -0.234 -0.561 -1.147 -1.254 -1.358 -1.460 -1.558 -1.654 -1.747 -1.838 -1.926 -2.011 -2.093 -2.171 -2.247 -2.319 -2.388 -2.452 -2.512 -2.567 -2.617 -2.662 -2.702 7.722 7.264 6.365 5.440 4.588 3.831 3.165 2.581 2.064 1.605 1.192 0.816 0.474 0.159 -0.131 -0.647 -0.742 -0.835 -0.925 -1.013 -1.100 -1.184 -1.267 -1.349 -1.429 -1.508 -1.586 -1.663 -1.739 -1.813 -1.887 -1.960 -2.031 -2.102 -2.171 -2.240 7.182 6.983 6.209 5.359 4.559 3.844 3.214 2.662 2.179 1.752 1.373 1.033 0.726 0.447 0.192 -0.257 -0.339 -0.418 -0.496 -0.572 -0.646 -0.718 -0.789 -0.859 -0.928 -0.996 -1.064 -1.130 -1.197 -1.263 -1.328 -1.394 -1.459 -1.524 -1.590 -1.655 6.527 6.603 5.963 5.194 4.453 3.782 3.190 2.673 2.221 1.826 1.479 1.172 0.898 0.651 0.429 0.043 -0.026 -0.094 -0.159 -0.222 -0.284 -0.345 -0.404 -0.462 -0.519 -0.575 -0.631 -0.686 -0.741 -0.795 -0.850 -0.904 -0.959 -1.013 -1.069 -1.124 5.778 6.141 5.642 4.961 4.281 3.658 3.106 2.624 2.204 1.840 1.524 1.247 1.004 0.788 0.596 0.269 0.211 0.155 0.102 0.050 -0.001 -0.050 -0.098 -0.145 -0.191 -0.236 -0.280 -0.324 -0.368 -0.411 -0.454 -0.498 -0.541 -0.585 -0.629 -0.674 4.949 5.609 5.258 4.669 4.054 3.482 2.971 2.524 2.138 1.804 1.518 1.270 1.055 0.869 0.705 0.433 0.386 0.341 0.298 0.257 0.217 0.178 0.141 0.104 0.069 0.034 0.000 -0.033 -0.067 -0.100 -0.133 -0.166 -0.199 -0.232 -0.266 -0.300 4.053 5.018 4.820 4.326 3.780 3.260 2.792 2.383 2.029 1.726 1.468 1.248 1.061 0.902 0.765 0.546 0.509 0.474 0.440 0.409 0.379 0.350 0.322 0.296 0.270 0.245 0.220 0.196 0.172 0.149 0.125 0.102 0.078 0.054 0.030 0.005 99999.999 4.376 4.334 3.940 3.464 2.999 2.575 2.204 1.883 1.611 1.381 1.189 1.028 0.895 0.784 0.613 0.586 0.561 0.537 0.515 0.494 0.474 0.455 0.438 0.421 0.405 0.389 0.374 0.359 0.344 0.329 0.314 0.299 0.284 0.268 0.252 nontronite-Na Na.33Fe2Al.33Si3.67O12H2 P-T:All Wt.(g/mol) = 425.260 V(cc/mol) = 132.110 D(g/cc) = 3.219 Ref: Wo90 7 0.330 13 2.000 11 0.330 8 3.670 7 -3.680 2 0.500 31 -5.320 1 -29.997 -27.778 -26.044 -24.582 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.997 -27.778 -26.044 -24.582 -23.307 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.996 -27.777 -26.043 -24.581 -23.306 -22.177 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.995 -27.775 -26.041 -24.578 -23.303 -22.174 -21.169 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.992 -27.771 -26.036 -24.574 -23.299 -22.169 -21.164 -20.269 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.988 -27.765 -26.030 -24.567 -23.292 -22.162 -21.156 -20.261 -19.468 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.945 -27.706 -25.964 -24.498 -23.219 -22.086 -21.076 -20.175 -19.374 -18.672 -18.074 -17.590 -17.226 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.927 -27.679 -25.934 -24.466 -23.185 -22.051 -21.038 -20.135 -19.330 -18.623 -18.017 -17.521 -17.142 -16.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.907 -27.647 -25.897 -24.426 -23.144 -22.007 -20.992 -20.084 -19.275 -18.562 -17.945 -17.434 -17.034 -16.743 -16.403 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.893 -27.623 -25.869 -24.396 -23.112 -21.974 -20.957 -20.046 -19.234 -18.516 -17.892 -17.369 -16.953 -16.650 -16.467 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.876 -27.592 -25.832 -24.356 -23.070 -21.928 -20.908 -19.994 -19.177 -18.452 -17.818 -17.279 -16.839 -16.510 -16.370 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.862 -27.564 -25.798 -24.318 -23.029 -21.885 -20.862 -19.944 -19.122 -18.391 -17.747 -17.193 -16.731 -16.372 -16.208 -8.521 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.852 -27.538 -25.766 -24.283 -22.991 -21.844 -20.818 -19.896 -19.070 -18.332 -17.679 -17.111 -16.627 -16.238 -16.029 -12.315 -10.337 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.845 -27.516 -25.737 -24.250 -22.955 -21.806 -20.776 -19.851 -19.020 -18.276 -17.615 -17.033 -16.530 -16.111 -15.850 -13.181 -12.261 -10.906 -9.131 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -29.842 -27.496 -25.710 -24.219 -22.921 -21.769 -20.736 -19.807 -18.972 -18.222 -17.553 -16.960 -16.438 -15.992 -15.678 -13.530 -12.944 -12.163 -11.130 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-43.611 -42.116 -40.814 -39.678 -38.686 -37.820 -37.065 -35.840 -35.636 -35.443 -35.262 -35.092 -34.933 -34.785 -34.646 -34.517 -34.398 -34.288 -34.186 -34.093 -34.008 -33.932 -33.863 -33.801 -33.747 -33.701 -33.661 -33.628 99999.999 -63.273 -58.973 -55.293 -52.152 -49.462 -47.150 -45.152 -43.420 -41.911 -40.592 -39.438 -38.427 -37.540 -36.762 -35.489 -35.274 -35.071 -34.879 -34.699 -34.529 -34.369 -34.219 -34.079 -33.948 -33.826 -33.713 -33.608 -33.512 -33.423 -33.342 -33.268 -33.202 -33.143 -33.091 -33.045 orpiment As2S3 P-T:All Wt.(g/mol) = 246.030 V(cc/mol) = 70.500 D(g/cc) = 3.490 Ref: Bess05 5 -6.000 2 2.000 25 -6.000 31 8.000 1 3.000 4 385.817 349.949 318.782 291.478 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 385.817 349.949 318.782 291.478 267.321 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 385.823 349.954 318.787 291.483 267.326 245.744 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 385.834 349.964 318.796 291.491 267.334 245.753 226.292 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 385.852 349.981 318.811 291.506 267.349 245.768 226.307 208.600 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 385.882 350.007 318.836 291.530 267.372 245.791 226.332 208.626 192.368 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 385.926 350.047 318.873 291.565 267.407 245.826 226.368 208.665 192.411 177.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 385.990 350.103 318.926 291.616 267.457 245.877 226.420 208.720 192.471 177.404 163.257 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 386.077 350.182 318.999 291.686 267.526 245.946 226.492 208.796 192.555 177.501 163.375 149.896 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 386.194 350.286 319.096 291.780 267.618 246.038 226.587 208.897 192.666 177.627 163.530 150.102 136.985 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 386.347 350.423 319.224 291.902 267.738 246.159 226.711 209.028 192.809 177.791 163.728 150.362 137.370 124.139 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 386.544 350.599 319.388 292.059 267.892 246.313 226.870 209.196 192.992 177.997 163.975 150.682 137.830 124.938 110.365 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 386.697 350.735 319.515 292.181 268.011 246.433 226.992 209.325 193.131 178.155 164.162 150.920 138.162 125.477 111.738 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 386.915 350.930 319.696 292.355 268.181 246.603 227.166 209.507 193.328 178.375 164.421 151.246 138.607 126.165 113.133 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 387.133 351.124 319.877 292.527 268.350 246.771 227.338 209.687 193.522 178.591 164.673 151.557 139.022 126.776 114.221 79.057 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 387.349 351.317 320.057 292.699 268.517 246.938 227.508 209.865 193.712 178.802 164.916 151.853 139.409 127.328 115.133 89.241 80.329 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 387.564 351.509 320.235 292.869 268.683 247.104 227.677 210.041 193.900 179.008 165.152 152.138 139.773 127.833 115.925 92.240 86.114 78.698 69.304 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 387.778 351.700 320.413 293.039 268.849 247.268 227.844 210.214 194.084 179.209 165.381 152.410 140.117 128.297 116.626 93.994 88.756 82.985 76.394 68.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 387.991 351.890 320.590 293.208 269.013 247.431 228.009 210.385 194.265 179.407 165.604 152.673 140.442 128.727 117.253 95.254 90.451 85.375 79.895 73.856 67.121 59.662 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 388.204 352.080 320.766 293.375 269.176 247.593 228.173 210.554 194.444 179.601 165.821 152.926 140.751 129.126 117.818 96.252 91.710 87.013 82.092 76.863 71.238 65.149 58.591 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 388.415 352.268 320.941 293.542 269.338 247.754 228.335 210.722 194.621 179.792 166.033 153.170 141.045 129.499 118.331 97.086 92.720 88.264 83.676 78.906 73.899 68.604 62.991 57.064 50.879 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 388.625 352.456 321.115 293.708 269.499 247.913 228.496 210.887 194.795 179.979 166.240 153.406 141.325 129.848 118.798 97.807 93.570 89.282 84.915 80.437 75.812 71.005 65.989 60.749 55.297 49.673 43.940 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 388.835 352.643 321.289 293.873 269.659 248.071 228.656 211.051 194.966 180.163 166.442 153.635 141.594 130.175 119.226 98.446 94.307 90.144 85.936 81.660 77.292 72.808 68.185 63.409 58.476 53.400 48.213 42.958 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 389.044 352.829 321.461 294.037 269.819 248.229 228.814 211.213 195.136 180.344 166.640 153.858 141.851 130.484 119.618 99.023 94.962 90.896 86.807 82.680 78.497 74.239 69.891 65.438 60.874 56.203 51.437 46.601 41.730 36.862 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 389.251 353.014 321.633 294.201 269.977 248.385 228.971 211.374 195.304 180.522 166.834 154.074 142.098 130.777 119.980 99.550 95.554 91.564 87.570 83.558 79.513 75.423 71.275 67.057 62.763 58.391 53.947 49.443 44.901 40.346 35.808 99999.999 99999.999 99999.999 99999.999 99999.999 389.458 353.199 321.805 294.363 270.134 248.540 229.126 211.533 195.469 180.698 167.025 154.284 142.336 131.054 120.316 100.037 96.094 92.169 88.251 84.329 80.394 76.433 72.436 68.396 64.304 60.159 55.962 51.718 47.442 43.150 38.862 34.601 30.391 99999.999 99999.999 99999.999 389.665 353.383 321.975 294.525 270.291 248.694 229.281 211.691 195.633 180.872 167.211 154.490 142.567 131.319 120.630 100.490 96.593 92.722 88.867 85.020 81.172 77.313 73.436 69.534 65.599 61.630 57.624 53.587 49.524 45.448 41.372 37.314 33.291 29.321 99999.999 99999.999 389.870 353.566 322.145 294.686 270.447 248.848 229.435 211.847 195.795 181.043 167.395 154.691 142.791 131.573 120.927 100.915 97.058 93.233 89.432 85.647 81.870 78.095 74.315 70.522 66.712 62.882 59.029 55.156 51.267 47.368 43.470 39.586 35.728 31.911 28.149 24.454 390.074 353.748 322.314 294.847 270.602 249.000 229.587 212.002 195.955 181.211 167.576 154.887 143.009 131.819 121.209 101.316 97.494 93.709 89.953 86.221 82.505 78.800 75.099 71.396 67.687 63.970 60.241 56.501 52.753 49.001 45.252 41.515 37.801 34.120 30.484 26.904 392.079 355.537 323.970 296.414 272.112 250.479 231.057 213.487 197.479 182.799 169.254 156.687 144.965 133.976 123.622 104.486 100.869 97.313 93.814 90.367 86.969 83.617 80.307 77.037 73.805 70.607 67.442 64.307 61.203 58.127 55.080 52.060 49.068 46.104 43.170 40.265 394.019 357.268 325.570 297.924 273.561 251.889 232.448 214.877 198.887 184.244 170.756 158.266 146.641 135.773 125.566 106.826 103.308 99.859 96.474 93.150 89.884 86.674 83.516 80.408 77.348 74.333 71.362 68.432 65.541 62.690 59.874 57.095 54.351 51.640 48.962 46.317 395.907 358.950 327.123 299.387 274.960 253.244 233.777 216.196 200.211 185.588 172.135 159.694 148.135 137.347 127.237 108.744 105.286 101.900 98.582 95.329 92.139 89.008 85.933 82.913 79.945 77.027 74.156 71.331 68.550 65.812 63.114 60.455 57.834 55.250 52.702 50.188 397.753 360.593 328.636 300.810 276.317 254.554 235.056 217.458 201.469 186.854 173.422 161.014 149.499 138.767 128.724 110.401 106.983 103.639 100.365 97.159 94.017 90.937 87.916 84.951 82.041 79.183 76.375 73.615 70.901 68.231 65.605 63.019 60.473 57.965 55.495 53.060 399.566 362.203 330.116 302.198 277.638 255.826 236.293 218.673 202.673 188.059 174.637 162.250 150.766 140.073 130.078 111.876 108.487 105.172 101.930 98.756 95.649 92.604 89.620 86.694 83.823 81.007 78.241 75.525 72.856 70.233 67.653 65.116 62.620 60.163 57.745 55.363 401.352 363.784 331.567 303.557 278.929 257.066 237.496 219.849 203.834 189.214 175.796 163.421 151.956 141.290 131.330 113.218 109.850 106.557 103.338 100.188 97.105 94.086 91.129 88.230 85.389 82.601 79.866 77.181 74.545 71.954 69.409 66.907 64.446 62.025 59.642 57.297 403.115 365.343 332.993 304.889 280.192 258.277 238.667 220.993 204.958 190.327 176.907 164.537 153.084 142.438 132.503 114.457 111.104 107.828 104.625 101.493 98.429 95.430 92.492 89.615 86.794 84.029 81.316 78.655 76.042 73.476 70.955 68.478 66.043 63.648 61.292 58.974 99999.999 366.881 334.397 306.199 281.432 259.463 239.813 222.107 206.051 191.406 177.978 165.608 154.162 143.528 133.610 115.613 112.272 109.008 105.819 102.700 99.650 96.665 93.743 90.881 88.077 85.328 82.633 79.988 77.393 74.846 72.344 69.886 67.470 65.094 62.758 60.460 pentlandite-Co Co9S8 P-T:All Wt.(g/mol) = 786.930 V(cc/mol) = 157.380 D(g/cc) = 5.000 Ref: RG97 5 -10.250 1 -0.250 4 9.000 28 8.250 6 1.000 2 -71.156 -68.659 -67.032 -66.001 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -71.156 -68.659 -67.032 -66.001 -65.437 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -71.150 -68.654 -67.028 -65.996 -65.433 -65.271 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -71.139 -68.645 -67.020 -65.989 -65.425 -65.263 -65.470 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -71.120 -68.630 -67.006 -65.975 -65.411 -65.249 -65.454 -66.013 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -71.089 -68.605 -66.984 -65.954 -65.390 -65.226 -65.429 -65.984 -66.893 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -71.044 -68.569 -66.951 -65.922 -65.357 -65.192 -65.392 -65.942 -66.843 -68.134 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -70.980 -68.517 -66.904 -65.876 -65.311 -65.143 -65.338 -65.881 -66.773 -68.048 -69.798 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -70.892 -68.445 -66.839 -65.814 -65.248 -65.077 -65.265 -65.799 -66.676 -67.931 -69.646 -71.965 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -70.776 -68.350 -66.753 -65.731 -65.164 -64.988 -65.168 -65.689 -66.549 -67.776 -69.448 -71.694 -74.693 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -70.625 -68.227 -66.641 -65.623 -65.056 -64.874 -65.043 -65.548 -66.385 -67.578 -69.195 -71.350 -74.208 -77.992 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -70.434 -68.071 -66.499 -65.486 -64.917 -64.728 -64.885 -65.370 -66.178 -67.330 -68.879 -70.924 -73.607 -77.169 -82.032 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -70.288 -67.951 -66.391 -65.382 -64.812 -64.617 -64.764 -65.234 -66.022 -67.142 -68.642 -70.606 -73.160 -76.538 -81.481 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -70.082 -67.783 -66.237 -65.234 -64.662 -64.460 -64.594 -65.043 -65.802 -66.880 -68.314 -70.169 -72.550 -75.664 -80.309 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -69.882 -67.617 -66.087 -65.088 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-36.315 -36.672 -37.334 -38.141 -39.029 -39.965 -40.926 -41.900 -42.882 -43.869 -44.859 -45.854 -46.856 -47.866 -49.913 -50.327 -50.743 -51.160 -51.579 -52.000 -52.424 -52.849 -53.278 -53.709 -54.143 -54.581 -55.022 -55.467 -55.916 -56.370 -56.828 -57.291 -57.759 -58.232 -58.710 99999.999 -35.989 -36.258 -36.867 -37.634 -38.489 -39.392 -40.319 -41.257 -42.198 -43.138 -44.077 -45.014 -45.953 -46.895 -48.795 -49.178 -49.563 -49.949 -50.337 -50.727 -51.119 -51.513 -51.909 -52.308 -52.710 -53.114 -53.523 -53.934 -54.350 -54.770 -55.194 -55.622 -56.056 -56.494 -56.938 pentlandite Fe4.5Ni4.5S8 P-T:All Wt.(g/mol) = 771.990 V(cc/mol) = 157.240 D(g/cc) = 4.910 Ref: RG97 6 -2.000 1 -16.500 31 4.500 11 4.500 26 8.000 4 1.000 2 1210.758 1097.023 998.493 912.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1210.758 1097.024 998.493 912.464 836.607 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1210.778 1097.041 998.510 912.481 836.622 769.075 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1210.813 1097.074 998.541 912.511 836.652 769.105 708.389 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1210.874 1097.131 998.594 912.562 836.702 769.155 708.440 653.369 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1210.970 1097.220 998.679 912.644 836.782 769.235 708.523 653.455 603.054 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1211.115 1097.354 998.806 912.766 836.902 769.355 708.646 653.585 603.195 556.615 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1211.321 1097.546 998.988 912.941 837.074 769.527 708.821 653.769 603.395 556.842 513.291 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1211.605 1097.810 999.238 913.182 837.310 769.763 709.063 654.023 603.669 557.151 513.663 472.360 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1211.985 1098.163 999.571 913.503 837.624 770.077 709.384 654.360 604.033 557.560 514.151 472.992 433.126 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1212.479 1098.621 1000.006 913.921 838.034 770.486 709.801 654.796 604.503 558.087 514.776 473.793 434.251 394.769 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1213.112 1099.210 1000.562 914.456 838.558 771.008 710.334 655.352 605.100 558.752 515.560 474.785 435.617 396.882 355.346 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1213.600 1099.663 1000.991 914.869 838.961 771.410 710.743 655.778 605.556 559.258 516.151 475.525 436.619 398.379 358.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1214.295 1100.310 1001.603 915.457 839.535 771.982 711.324 656.382 606.200 559.969 516.976 476.545 437.979 400.359 361.547 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1214.984 1100.950 1002.208 916.038 840.103 772.546 711.896 656.976 606.831 560.663 517.773 477.520 439.255 402.171 364.498 294.880 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1215.666 1101.584 1002.808 916.614 840.665 773.104 712.461 657.560 607.450 561.339 518.546 478.452 440.456 403.838 367.123 304.283 287.981 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1216.341 1102.212 1003.401 917.184 841.220 773.655 713.018 658.136 608.058 562.001 519.295 479.346 441.589 405.380 369.484 307.830 294.047 278.994 261.026 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1217.010 1102.834 1003.990 917.748 841.770 774.200 713.568 658.702 608.655 562.647 520.021 480.203 442.659 406.808 371.616 310.422 297.441 284.045 269.785 253.901 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1217.674 1103.451 1004.572 918.307 842.314 774.738 714.111 659.261 609.242 563.280 520.728 481.027 443.672 408.133 373.544 312.565 300.021 287.322 274.289 260.643 245.985 229.917 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1218.331 1104.062 1005.150 918.860 842.853 775.271 714.648 659.812 609.819 563.900 521.415 481.820 444.632 409.363 375.290 314.433 302.179 289.888 277.467 264.786 251.663 237.878 223.233 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1218.983 1104.669 1005.723 919.409 843.387 775.798 715.178 660.355 610.387 564.508 522.085 482.585 445.543 410.508 376.870 316.107 304.067 292.056 280.016 267.873 255.534 242.880 229.787 216.159 201.972 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1219.629 1105.270 1006.291 919.953 843.915 776.320 715.702 660.891 610.947 565.104 522.737 483.322 446.408 411.574 378.299 317.636 305.763 293.962 282.190 270.401 258.537 246.531 234.309 221.802 208.966 195.806 182.383 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1220.269 1105.866 1006.854 920.492 844.439 776.837 716.220 661.420 611.498 565.690 523.374 484.035 447.233 412.568 379.592 319.050 307.314 295.678 284.110 272.577 261.039 249.452 237.773 225.954 213.962 201.781 189.429 176.959 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1220.905 1106.457 1007.412 921.027 844.958 777.348 716.732 661.943 612.040 566.265 523.997 484.725 448.020 413.499 380.764 320.372 308.750 297.250 285.844 274.508 263.211 251.923 240.614 229.254 217.816 206.287 194.668 182.983 171.278 159.617 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1221.535 1107.044 1007.966 921.557 845.472 777.855 717.239 662.459 612.576 566.830 524.605 485.394 448.773 414.372 381.830 321.615 310.092 298.705 287.434 276.256 265.148 254.087 243.050 232.016 220.967 209.891 198.785 187.661 176.543 165.473 154.502 99999.999 99999.999 99999.999 99999.999 99999.999 1222.160 1107.627 1008.516 922.083 845.982 778.356 717.741 662.969 613.104 567.386 525.201 486.045 449.497 415.195 382.805 322.792 311.355 300.066 288.908 277.861 266.907 256.025 245.200 234.413 223.651 212.906 202.173 191.458 180.777 170.154 159.625 149.233 139.024 99999.999 99999.999 99999.999 1222.781 1108.205 1009.061 922.604 846.488 778.854 718.238 663.473 613.625 567.934 525.786 486.678 450.194 415.977 383.706 323.912 312.550 301.347 290.287 279.352 268.525 257.791 247.136 236.544 226.005 215.512 205.062 194.656 184.305 174.025 163.840 153.782 143.885 134.186 99999.999 99999.999 1223.396 1108.778 1009.603 923.122 846.989 779.346 718.729 663.972 614.139 568.473 526.359 487.296 450.869 416.724 384.548 324.981 313.686 302.560 291.585 280.746 270.029 259.420 248.905 238.473 228.113 217.821 207.592 197.427 187.332 177.320 167.407 157.616 147.973 138.506 129.246 120.222 1224.007 1109.348 1010.140 923.636 847.486 779.835 719.216 664.465 614.647 569.004 526.922 487.902 451.527 417.446 385.350 326.006 314.772 303.713 292.813 282.060 271.438 260.936 250.540 240.241 230.031 219.902 209.852 199.881 189.992 180.194 170.499 160.924 151.488 142.215 133.127 124.248 1229.885 1114.834 1015.317 928.577 852.261 784.507 723.853 669.135 619.420 573.954 532.122 493.424 457.447 423.847 392.330 334.546 323.709 313.083 302.656 292.417 282.357 272.465 262.733 253.153 243.718 234.421 225.256 216.220 207.307 198.516 189.845 181.291 172.856 164.539 156.343 148.269 1235.403 1119.998 1020.188 933.218 856.731 788.861 728.145 673.418 623.751 578.389 536.715 498.228 462.512 429.222 398.068 341.196 330.578 320.184 310.003 300.026 290.242 280.643 271.221 261.966 252.873 243.933 235.140 226.489 217.975 209.591 201.334 193.199 185.184 177.284 169.497 161.821 1240.635 1124.903 1024.813 937.619 860.959 792.966 732.170 677.410 627.754 582.448 540.875 502.530 466.994 433.921 403.018 346.760 336.284 326.040 316.016 306.204 296.593 287.175 277.942 268.884 259.996 251.269 242.696 234.273 225.992 217.848 209.836 201.951 194.188 186.544 179.014 171.594 1245.640 1129.597 1029.237 941.824 864.992 796.869 735.983 681.171 631.501 586.219 544.708 506.459 471.051 438.134 407.413 351.597 341.222 331.084 321.171 311.473 301.982 292.689 283.584 274.661 265.911 257.328 248.904 240.633 232.509 224.526 216.679 208.962 201.371 193.900 186.546 179.305 1250.464 1134.120 1033.494 945.865 868.862 800.605 739.622 684.747 635.046 589.765 548.286 510.099 474.781 441.977 411.393 355.907 345.608 335.547 325.715 316.103 306.699 297.497 288.487 279.661 271.012 262.532 254.214 246.053 238.042 230.174 222.445 214.848 207.380 200.034 192.807 185.694 1255.141 1138.501 1037.611 949.768 872.594 804.203 743.117 688.169 638.424 593.127 551.659 513.509 478.252 445.532 415.048 359.815 349.573 339.572 329.802 320.254 310.917 301.783 292.844 284.091 275.518 267.115 258.878 250.799 242.871 235.089 227.448 219.941 212.564 205.311 198.178 191.161 1259.696 1142.767 1041.611 953.553 876.208 807.681 746.489 691.462 641.664 596.338 554.864 516.732 481.514 448.853 418.445 363.404 353.206 343.252 333.530 324.031 314.746 305.666 296.781 288.085 279.569 271.227 263.050 255.034 247.170 239.454 231.879 224.440 217.132 209.950 202.889 195.945 99999.999 1146.935 1045.510 957.236 879.721 811.057 749.756 694.645 644.786 599.422 557.931 519.801 484.604 451.982 421.629 366.735 356.572 346.654 336.970 327.510 318.265 309.226 300.384 291.732 283.261 274.965 266.836 258.868 251.054 243.389 235.866 228.479 221.225 214.097 207.091 200.202 pentlandite1 Fe4.5Ni4.5S8 P-T:All Wt.(g/mol) = 771.990 V(cc/mol) = 157.240 D(g/cc) = 4.910 Ref: RG97 6 -10.250 1 -0.250 4 4.500 11 4.500 26 8.250 6 1.000 2 -44.229 -44.091 -44.485 -45.203 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -44.229 -44.091 -44.485 -45.202 -46.167 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -44.223 -44.086 -44.481 -45.198 -46.163 -47.349 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -44.212 -44.077 -44.472 -45.190 -46.154 -47.340 -48.744 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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1102.212 1003.547 917.454 841.599 774.128 713.575 658.766 608.755 562.757 520.105 480.205 442.493 406.324 370.466 308.879 295.109 280.068 262.111 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1216.838 1102.834 1004.135 918.018 842.149 774.673 714.125 659.333 609.352 563.404 520.832 481.062 443.563 407.752 372.598 311.471 298.503 285.118 270.870 254.997 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1217.501 1103.451 1004.718 918.577 842.693 775.212 714.668 659.891 609.939 564.037 521.538 481.886 444.576 409.077 374.527 313.615 301.083 288.395 275.374 261.739 247.092 231.035 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1218.159 1104.062 1005.296 919.131 843.232 775.744 715.204 660.442 610.516 564.657 522.225 482.680 445.536 410.308 376.272 315.482 303.241 290.961 278.552 265.882 252.770 238.996 224.361 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1218.810 1104.669 1005.869 919.680 843.765 776.272 715.734 660.985 611.084 565.265 522.895 483.444 446.447 411.453 377.852 317.156 305.129 293.129 281.101 268.970 256.641 243.998 230.915 217.297 203.120 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1219.456 1105.270 1006.436 920.224 844.294 776.793 716.258 661.521 611.643 565.861 523.548 484.181 447.312 412.519 379.281 318.685 306.825 295.035 283.275 271.497 259.644 247.648 235.437 222.940 210.114 196.963 183.550 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1220.097 1105.866 1006.999 920.763 844.817 777.310 716.776 662.051 612.194 566.446 524.185 484.894 448.137 413.513 380.574 320.100 308.376 296.752 285.195 273.673 262.146 250.570 238.901 227.092 215.110 202.939 190.596 178.135 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1220.732 1106.457 1007.558 921.297 845.336 777.821 717.289 662.573 612.737 567.021 524.807 485.584 448.924 414.443 381.747 321.421 309.812 298.323 286.929 275.604 264.318 253.041 241.742 230.392 218.964 207.444 195.835 184.159 172.462 160.811 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1221.363 1107.044 1008.112 921.828 845.851 778.328 717.796 663.090 613.272 567.587 525.416 486.254 449.677 415.317 382.813 322.665 311.154 299.779 288.519 277.352 266.255 255.204 244.178 233.154 222.115 211.048 199.952 188.836 177.728 166.666 155.704 99999.999 99999.999 99999.999 99999.999 99999.999 1221.988 1107.627 1008.662 922.353 846.361 778.830 718.297 663.600 613.800 568.143 526.012 486.904 450.401 416.140 383.788 323.842 312.416 301.140 289.993 278.958 268.014 257.143 246.328 235.551 224.799 214.063 203.340 192.634 181.961 171.347 160.827 150.443 140.242 99999.999 99999.999 99999.999 1222.608 1108.205 1009.207 922.875 846.866 779.327 718.794 664.104 614.321 568.690 526.596 487.537 451.098 416.922 384.688 324.962 313.611 302.421 291.372 280.448 269.632 258.909 248.264 237.682 227.153 216.670 206.228 195.832 185.489 175.218 165.042 154.992 145.103 135.412 99999.999 99999.999 1223.224 1108.778 1009.749 923.393 847.368 779.819 719.286 664.603 614.836 569.229 527.169 488.156 451.773 417.669 385.531 326.031 314.748 303.633 292.670 281.842 271.137 260.538 250.033 239.611 229.261 218.978 208.758 198.602 188.517 178.513 168.609 158.826 149.190 139.731 130.479 121.462 1223.835 1109.348 1010.286 923.906 847.865 780.308 719.773 665.096 615.344 569.760 527.733 488.761 452.431 418.391 386.333 327.055 315.833 304.786 293.899 283.156 272.545 262.053 251.668 241.379 231.179 221.060 211.019 201.057 191.177 181.387 171.701 162.134 152.706 143.440 134.360 125.489 1229.713 1114.834 1015.462 928.847 852.639 784.981 724.409 669.765 620.117 574.710 532.932 494.283 458.351 424.792 393.313 335.595 324.771 314.156 303.741 293.513 283.464 273.583 263.861 254.291 244.866 235.578 226.423 217.396 208.492 199.709 191.046 182.501 174.074 165.765 157.576 149.510 1235.230 1119.998 1020.333 933.488 857.109 789.335 728.701 674.049 624.448 579.145 537.526 499.087 463.416 430.167 399.051 342.246 331.640 321.257 311.088 301.122 291.349 281.761 272.349 263.104 254.021 245.090 236.307 227.665 219.159 210.784 202.535 194.409 186.401 178.510 170.731 163.062 1240.462 1124.903 1024.959 937.890 861.338 793.439 732.726 678.040 628.450 583.204 541.686 503.389 467.898 434.866 404.000 347.810 337.346 327.113 317.101 307.300 297.700 288.293 279.070 270.022 261.143 252.426 243.863 235.449 227.176 219.041 211.037 203.161 195.406 187.770 180.247 172.835 1245.468 1129.597 1029.383 942.094 865.371 797.342 736.539 681.802 632.198 586.976 545.518 507.318 471.955 439.078 408.395 352.647 342.284 332.157 322.256 312.569 303.089 293.806 284.712 275.799 267.059 258.485 250.071 241.809 233.694 225.719 217.880 210.172 202.588 195.126 187.779 180.545 1250.292 1134.120 1033.640 946.136 869.240 801.078 740.179 685.377 635.742 590.521 549.096 510.958 475.684 442.922 412.375 356.957 346.669 336.621 326.801 317.199 307.807 298.615 289.615 280.799 272.159 263.689 255.381 247.229 239.226 231.367 223.646 216.058 208.597 201.260 194.040 186.935 1254.969 1138.501 1037.757 950.038 872.972 804.676 743.673 688.799 639.121 593.883 552.469 514.368 479.156 446.476 416.031 360.864 350.634 340.645 330.887 321.350 312.024 302.901 293.972 285.229 276.665 268.273 260.045 251.974 244.056 236.282 228.649 221.151 213.781 206.536 199.411 192.402 1259.523 1142.767 1041.756 953.823 876.587 808.154 747.045 692.092 642.361 597.094 555.674 517.591 482.418 449.797 419.427 364.453 354.268 344.325 334.615 325.128 315.853 306.783 297.909 289.223 280.717 272.384 264.217 256.209 248.355 240.647 233.081 225.650 218.350 211.176 204.122 197.185 99999.999 1146.935 1045.656 957.506 880.099 811.530 750.312 695.275 645.483 600.178 558.741 520.660 485.508 452.927 422.612 367.785 357.634 347.727 338.055 328.606 319.372 310.343 301.512 292.870 284.409 276.122 268.003 260.044 252.239 244.582 237.067 229.689 222.443 215.322 208.324 201.442 PtTe PtTe P-T:All Wt.(g/mol) = 322.680 V(cc/mol) = 32.270 D(g/cc) = 9.999 Ref: RG97 3 -1.000 1 1.000 40 1.000 41 -88.937 -82.463 -77.142 -72.713 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -88.937 -82.463 -77.142 -72.713 -68.987 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-45.897 -45.698 -45.508 -45.327 -45.155 -44.992 -44.836 -44.688 -44.548 -44.415 -44.288 -44.168 -44.055 -43.948 -43.846 -43.751 realgar AsS P-T:All Wt.(g/mol) = 427.920 V(cc/mol) = 29.800 D(g/cc) = 14.360 Ref: Bess05 5 -0.500 4 -10.000 2 4.000 25 4.500 6 7.500 1 -92.765 -84.652 -77.916 -72.284 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -92.765 -84.652 -77.916 -72.284 -67.548 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -92.766 -84.654 -77.918 -72.285 -67.549 -63.556 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -92.768 -84.656 -77.920 -72.288 -67.551 -63.557 -60.192 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -92.771 -84.661 -77.925 -72.292 -67.555 -63.560 -60.193 -57.371 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -92.776 -84.668 -77.933 -72.299 -67.561 -63.564 -60.196 -57.371 -55.032 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -92.784 -84.679 -77.944 -72.309 -67.569 -63.570 -60.199 -57.371 -55.028 -53.139 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -92.795 -84.695 -77.960 -72.323 -67.581 -63.579 -60.204 -57.372 -55.022 -53.125 -51.682 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -92.810 -84.716 -77.981 -72.343 -67.598 -63.592 -60.212 -57.372 -55.015 -53.106 -51.646 -50.679 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -92.831 -84.745 -78.011 -72.370 -67.620 -63.608 -60.221 -57.374 -55.005 -53.081 -51.599 -50.594 -50.185 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -92.858 -84.783 -78.049 -72.404 -67.649 -63.630 -60.234 -57.376 -54.993 -53.051 -51.540 -50.490 -49.994 -50.339 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -92.894 -84.832 -78.098 -72.449 -67.686 -63.658 -60.251 -57.379 -54.979 -53.014 -51.469 -50.365 -49.772 -49.897 -51.664 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -92.922 -84.870 -78.136 -72.483 -67.715 -63.680 -60.265 -57.382 -54.970 -52.987 -51.418 -50.274 -49.615 -49.604 -50.871 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -92.962 -84.924 -78.190 -72.533 -67.757 -63.712 -60.284 -57.387 -54.957 -52.951 -51.348 -50.154 -49.408 -49.235 -50.061 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.003 -84.978 -78.244 -72.581 -67.798 -63.744 -60.304 -57.393 -54.946 -52.918 -51.284 -50.043 -49.222 -48.914 -49.431 -57.141 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.044 -85.032 -78.298 -72.630 -67.839 -63.775 -60.325 -57.400 -54.936 -52.887 -51.225 -49.941 -49.053 -48.630 -48.907 -51.400 -54.274 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.085 -85.086 -78.351 -72.678 -67.880 -63.807 -60.345 -57.408 -54.928 -52.859 -51.170 -49.847 -48.899 -48.377 -48.459 -49.726 -51.008 -53.102 -56.458 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.127 -85.140 -78.404 -72.726 -67.920 -63.838 -60.366 -57.416 -54.921 -52.833 -51.118 -49.759 -48.758 -48.150 -48.069 -48.749 -49.524 -50.670 -52.358 -54.781 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.169 -85.193 -78.457 -72.774 -67.961 -63.870 -60.387 -57.425 -54.915 -52.809 -51.070 -49.679 -48.629 -47.945 -47.726 -48.051 -48.575 -49.320 -50.360 -51.791 -53.704 -56.133 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.211 -85.246 -78.510 -72.822 -68.001 -63.902 -60.409 -57.434 -54.910 -52.787 -51.026 -49.604 -48.511 -47.760 -47.424 -47.503 -47.874 -48.398 -49.113 -50.067 -51.316 -52.903 -54.841 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.254 -85.300 -78.562 -72.869 -68.042 -63.933 -60.430 -57.444 -54.907 -52.766 -50.985 -49.534 -48.402 -47.593 -47.157 -47.051 -47.317 -47.698 -48.218 -48.903 -49.784 -50.893 -52.251 -53.859 -55.689 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.297 -85.353 -78.614 -72.916 -68.082 -63.965 -60.452 -57.454 -54.904 -52.748 -50.946 -49.470 -48.302 -47.442 -46.921 -46.665 -46.853 -47.134 -47.522 -48.034 -48.689 -49.506 -50.504 -51.689 -53.059 -54.589 -56.245 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.341 -85.406 -78.666 -72.963 -68.122 -63.997 -60.474 -57.465 -54.902 -52.730 -50.910 -49.410 -48.210 -47.304 -46.712 -46.327 -46.455 -46.660 -46.953 -47.344 -47.846 -48.471 -49.231 -50.135 -51.185 -52.373 -53.680 -55.080 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.385 -85.459 -78.718 -73.010 -68.162 -64.028 -60.496 -57.477 -54.901 -52.715 -50.876 -49.354 -48.125 -47.180 -46.526 -46.026 -46.105 -46.251 -46.471 -46.773 -47.163 -47.652 -48.248 -48.956 -49.781 -50.720 -51.764 -52.897 -54.100 -55.346 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.429 -85.512 -78.769 -73.057 -68.201 -64.060 -60.519 -57.489 -54.900 -52.700 -50.845 -49.302 -48.047 -47.066 -46.362 -45.755 -45.794 -45.891 -46.053 -46.285 -46.592 -46.979 -47.454 -48.020 -48.681 -49.436 -50.282 -51.209 -52.203 -53.249 -54.327 99999.999 99999.999 99999.999 99999.999 99999.999 -93.473 -85.564 -78.821 -73.103 -68.241 -64.092 -60.541 -57.501 -54.901 -52.687 -50.815 -49.253 -47.974 -46.963 -46.214 -45.508 -45.512 -45.570 -45.684 -45.860 -46.100 -46.409 -46.791 -47.250 -47.788 -48.405 -49.099 -49.865 -50.693 -51.574 -52.492 -53.433 -54.381 99999.999 99999.999 99999.999 -93.518 -85.617 -78.872 -73.149 -68.281 -64.123 -60.564 -57.513 -54.902 -52.675 -50.788 -49.207 -47.906 -46.867 -46.082 -45.282 -45.256 -45.279 -45.354 -45.483 -45.669 -45.915 -46.224 -46.599 -47.041 -47.551 -48.127 -48.766 -49.463 -50.209 -50.994 -51.806 -52.634 -53.466 99999.999 99999.999 -93.563 -85.670 -78.923 -73.195 -68.320 -64.155 -60.587 -57.526 -54.904 -52.663 -50.762 -49.164 -47.842 -46.778 -45.961 -45.072 -45.021 -45.014 -45.054 -45.144 -45.285 -45.479 -45.729 -46.036 -46.402 -46.827 -47.309 -47.848 -48.437 -49.073 -49.747 -50.451 -51.175 -51.910 -52.644 -53.369 -93.609 -85.723 -78.974 -73.241 -68.359 -64.187 -60.610 -57.540 -54.906 -52.653 -50.737 -49.123 -47.782 -46.695 -45.849 -44.878 -44.803 -44.770 -44.781 -44.837 -44.939 -45.090 -45.291 -45.542 -45.845 -46.201 -46.607 -47.063 -47.566 -48.112 -48.694 -49.306 -49.940 -50.589 -51.244 -51.896 -94.083 -86.249 -79.477 -73.694 -68.748 -64.504 -60.848 -57.690 -54.959 -52.597 -50.559 -48.808 -47.310 -46.043 -44.986 -43.448 -43.228 -43.036 -42.873 -42.737 -42.628 -42.547 -42.493 -42.465 -42.464 -42.489 -42.539 -42.614 -42.713 -42.835 -42.979 -43.144 -43.328 -43.529 -43.747 -43.978 -94.587 -86.778 -79.973 -74.138 -69.132 -64.822 -61.096 -57.863 -55.051 -52.601 -50.467 -48.611 -46.999 -45.605 -44.408 -42.534 -42.236 -41.961 -41.710 -41.481 -41.275 -41.090 -40.927 -40.784 -40.662 -40.560 -40.476 -40.412 -40.366 -40.337 -40.325 -40.330 -40.350 -40.385 -40.434 -40.497 -95.117 -87.312 -80.467 -74.579 -69.515 -65.143 -61.353 -58.054 -55.171 -52.647 -50.434 -48.492 -46.788 -45.297 -43.994 -41.883 -41.531 -41.202 -40.894 -40.606 -40.339 -40.090 -39.861 -39.650 -39.457 -39.281 -39.122 -38.979 -38.852 -38.740 -38.644 -38.562 -38.493 -38.438 -38.396 -38.367 -95.668 -87.851 -80.962 -75.019 -69.897 -65.468 -61.618 -58.258 -55.313 -52.724 -50.442 -48.428 -46.649 -45.077 -43.690 -41.395 -41.004 -40.634 -40.284 -39.953 -39.641 -39.348 -39.072 -38.813 -38.571 -38.345 -38.135 -37.940 -37.759 -37.593 -37.441 -37.302 -37.176 -37.062 -36.961 -36.871 -96.236 -88.396 -81.457 -75.460 -70.282 -65.796 -61.891 -58.475 -55.473 -52.826 -50.484 -48.407 -46.563 -44.923 -43.465 -41.019 -40.597 -40.194 -39.812 -39.448 -39.102 -38.774 -38.462 -38.168 -37.889 -37.625 -37.377 -37.143 -36.923 -36.717 -36.524 -36.344 -36.176 -36.021 -35.877 -35.745 -96.818 -88.946 -81.956 -75.903 -70.669 -66.129 -62.170 -58.701 -55.647 -52.947 -50.551 -48.419 -46.517 -44.819 -43.300 -40.727 -40.278 -39.849 -39.439 -39.048 -38.675 -38.318 -37.979 -37.655 -37.347 -37.054 -36.775 -36.511 -36.261 -36.024 -35.799 -35.588 -35.388 -35.201 -35.025 -34.860 -97.413 -89.500 -82.457 -76.348 -71.059 -66.466 -62.456 -58.938 -55.834 -53.085 -50.640 -48.458 -46.505 -44.754 -43.182 -40.499 -40.028 -39.576 -39.143 -38.729 -38.332 -37.952 -37.589 -37.241 -36.909 -36.592 -36.289 -36.000 -35.725 -35.463 -35.213 -34.976 -34.752 -34.539 -34.337 -34.146 99999.999 -90.060 -82.962 -76.797 -71.454 -66.808 -62.749 -59.182 -56.033 -53.238 -50.747 -48.519 -46.521 -44.723 -43.103 -40.323 -39.832 -39.360 -38.908 -38.473 -38.056 -37.656 -37.273 -36.905 -36.552 -36.214 -35.891 -35.581 -35.285 -35.002 -34.732 -34.474 -34.228 -33.994 -33.772 -33.560 realgar AsS P-T:All Wt.(g/mol) = 427.920 V(cc/mol) = 29.800 D(g/cc) = 14.360 Ref: Bess05 5 4.000 4 -10.000 2 4.000 25 -9.000 31 12.000 1 591.679 537.774 491.060 450.227 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 591.679 537.774 491.060 450.227 414.171 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 591.686 537.780 491.066 450.232 414.176 382.024 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 591.697 537.790 491.075 450.242 414.186 382.034 353.093 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 591.718 537.808 491.092 450.258 414.202 382.050 353.111 326.824 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 591.750 537.836 491.118 450.283 414.227 382.077 353.139 326.855 302.761 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 591.798 537.878 491.158 450.322 414.266 382.116 353.181 326.901 302.813 280.509 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 591.866 537.938 491.214 450.377 414.321 382.173 353.241 326.967 302.888 280.598 259.704 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 591.961 538.022 491.292 450.452 414.396 382.251 353.323 327.057 302.990 280.720 259.859 239.986 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 592.088 538.133 491.396 450.553 414.497 382.354 353.433 327.177 303.126 280.880 260.061 240.265 220.955 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 592.253 538.278 491.532 450.685 414.628 382.489 353.576 327.332 303.301 281.086 260.319 240.615 221.491 202.034 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 592.466 538.466 491.707 450.854 414.797 382.662 353.758 327.530 303.523 281.346 260.640 241.044 222.126 203.175 181.741 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 592.630 538.610 491.842 450.984 414.927 382.795 353.898 327.681 303.692 281.543 260.882 241.361 222.583 203.938 183.756 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 592.865 538.817 492.035 451.171 415.112 382.985 354.097 327.896 303.931 281.819 261.217 241.795 223.194 204.905 185.776 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 593.099 539.023 492.226 451.356 415.296 383.172 354.293 328.107 304.165 282.087 261.539 242.207 223.758 205.760 187.335 134.897 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 593.332 539.227 492.417 451.540 415.479 383.358 354.487 328.315 304.394 282.348 261.850 242.598 224.283 206.527 188.633 150.286 136.984 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 593.563 539.430 492.606 451.722 415.659 383.541 354.678 328.519 304.618 282.602 262.151 242.971 224.774 207.225 189.751 154.780 145.697 134.669 120.684 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 593.793 539.633 492.794 451.904 415.839 383.723 354.867 328.721 304.839 282.851 262.441 243.327 225.236 207.864 190.736 157.381 149.646 141.103 131.327 119.889 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 594.022 539.834 492.981 452.084 416.017 383.903 355.054 328.920 305.055 283.094 262.723 243.668 225.670 208.453 191.613 159.235 152.158 144.667 136.567 127.628 117.650 106.602 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 594.249 540.034 493.167 452.262 416.193 384.082 355.239 329.116 305.268 283.331 262.997 243.996 226.081 208.998 192.401 160.691 154.008 147.092 139.837 132.118 123.803 114.798 105.101 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 594.475 540.232 493.352 452.440 416.369 384.259 355.422 329.309 305.477 283.564 263.263 244.311 226.471 209.504 193.112 161.898 155.483 148.931 142.179 135.152 127.768 119.954 111.664 102.912 93.781 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 594.700 540.430 493.536 452.617 416.543 384.434 355.603 329.500 305.683 283.791 263.522 244.615 226.841 209.975 193.758 162.937 156.715 150.417 143.999 137.413 130.606 123.525 116.130 108.402 100.361 92.067 83.617 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 594.924 540.627 493.719 452.792 416.715 384.608 355.782 329.688 305.886 284.015 263.774 244.909 227.194 210.417 194.345 163.852 157.779 151.669 145.490 139.210 132.790 126.195 119.391 112.358 105.091 97.613 89.971 82.232 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 595.147 540.823 493.901 452.967 416.887 384.781 355.959 329.875 306.086 284.234 264.020 245.192 227.530 210.831 194.883 164.672 158.718 152.754 146.756 140.700 134.559 128.305 121.914 115.366 108.653 101.778 94.764 87.647 80.479 73.317 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 595.369 541.018 494.082 453.140 417.057 384.952 356.135 330.059 306.283 284.449 264.260 245.467 227.853 211.220 195.376 165.419 159.562 153.715 147.859 141.975 136.043 130.042 123.953 117.759 111.450 105.024 98.490 91.868 85.188 78.491 71.820 99999.999 99999.999 99999.999 99999.999 99999.999 595.589 541.212 494.262 453.312 417.226 385.122 356.309 330.241 306.477 284.661 264.495 245.734 228.162 211.589 195.833 166.106 160.329 154.579 148.838 143.092 137.323 131.516 125.656 119.728 113.724 107.639 101.474 95.242 88.959 82.653 76.354 70.095 63.909 99999.999 99999.999 99999.999 595.809 541.405 494.441 453.484 417.395 385.290 356.481 330.421 306.669 284.869 264.726 245.993 228.460 211.940 196.257 166.742 161.035 155.366 149.720 144.086 138.449 132.797 127.116 121.396 115.628 109.806 103.931 98.007 92.044 86.061 80.078 74.121 68.215 62.387 99999.999 99999.999 596.027 541.597 494.619 453.654 417.562 385.458 356.652 330.599 306.858 285.074 264.951 246.246 228.749 212.275 196.657 167.337 161.690 156.089 150.525 144.984 139.456 133.929 128.394 122.839 117.259 111.647 106.001 100.323 94.620 88.903 83.186 77.488 71.829 66.230 60.712 55.293 596.245 541.788 494.796 453.824 417.728 385.624 356.822 330.775 307.045 285.275 265.173 246.493 229.029 212.598 197.036 167.895 162.301 156.761 151.265 145.804 140.367 134.945 129.529 124.110 118.682 113.239 107.779 102.302 96.812 91.315 85.822 80.345 74.901 69.506 64.176 58.929 598.365 543.654 496.524 455.472 419.335 387.223 358.443 332.448 308.801 287.149 267.202 248.720 231.505 215.387 200.219 172.231 166.948 161.755 156.646 151.616 146.659 141.769 136.943 132.176 127.465 122.805 118.193 113.628 109.106 104.627 100.189 95.792 91.436 87.122 82.851 78.624 600.399 545.445 498.179 457.045 420.862 388.731 359.956 333.991 310.397 288.823 268.980 250.630 233.576 217.653 202.717 175.342 170.210 165.180 160.246 155.403 150.647 145.972 141.376 136.854 132.403 128.020 123.701 119.443 115.244 111.103 107.016 102.982 99.000 95.067 91.184 87.349 602.363 547.173 499.773 458.556 422.322 390.165 361.385 335.434 311.874 290.353 270.583 252.326 235.385 219.596 204.818 177.834 172.796 167.864 163.033 158.300 153.659 149.106 144.638 140.250 135.939 131.703 127.537 123.439 119.406 115.436 111.526 107.675 103.880 100.139 96.451 92.815 604.272 548.848 501.316 460.014 423.727 391.539 362.746 336.799 313.259 291.775 272.056 253.867 237.008 221.317 206.652 179.945 174.970 170.104 165.344 160.683 156.119 151.645 147.260 142.958 138.737 134.593 130.523 126.525 122.595 118.730 114.929 111.189 107.507 103.883 100.313 96.797 606.136 550.478 502.813 461.426 425.083 392.860 364.050 338.099 314.570 293.109 273.428 255.288 238.491 222.873 208.294 181.791 176.863 172.046 167.336 162.728 158.218 153.801 149.474 145.232 141.074 136.994 132.991 129.060 125.200 121.407 117.680 114.015 110.410 106.864 103.373 99.937 607.964 552.072 504.272 462.798 426.398 394.138 365.305 339.346 315.820 294.374 274.718 256.614 239.865 224.303 209.789 183.444 178.551 173.771 169.099 164.530 160.061 155.686 151.402 147.206 143.093 139.061 135.106 131.225 127.415 123.675 120.000 116.389 112.839 109.348 105.915 102.536 609.762 553.635 505.697 464.135 427.676 395.376 366.519 340.547 317.019 295.580 275.941 257.864 241.150 225.632 211.169 184.947 180.081 175.330 170.688 166.149 161.711 157.369 153.119 148.956 144.879 140.883 136.964 133.121 129.350 125.648 122.013 118.443 114.934 111.485 108.093 104.757 99999.999 555.172 507.094 465.441 428.922 396.581 367.695 341.707 318.173 296.737 277.109 259.050 242.363 226.878 212.455 186.330 181.487 176.758 172.139 167.625 163.212 158.895 154.671 150.536 146.485 142.517 138.628 134.814 131.072 127.401 123.796 120.257 116.779 113.362 110.002 106.698 senarmontite Sb2O3 P-T:All Wt.(g/mol) = 291.510 V(cc/mol) = 52.210 D(g/cc) = 5.583 Ref: Bess05 2 -3.000 2 2.000 24 -11.175 -9.854 -8.732 -7.781 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-2.479 -2.422 -2.368 -2.315 -2.263 -2.213 -2.164 -2.115 -2.068 -2.023 -1.980 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.052 -9.837 -8.754 -7.817 -7.010 -6.314 -5.711 -5.187 -4.730 -4.330 -3.979 -3.670 -3.398 -3.159 -2.947 -2.594 -2.532 -2.474 -2.418 -2.364 -2.311 -2.261 -2.212 -2.165 -2.118 -2.073 -2.030 -1.988 -1.948 -1.910 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.042 -9.833 -8.752 -7.817 -7.010 -6.314 -5.711 -5.187 -4.729 -4.329 -3.977 -3.668 -3.395 -3.155 -2.942 -2.588 -2.527 -2.468 -2.412 -2.358 -2.307 -2.257 -2.209 -2.163 -2.118 -2.074 -2.032 -1.992 -1.953 -1.916 -1.880 99999.999 99999.999 99999.999 99999.999 99999.999 -11.033 -9.830 -8.751 -7.817 -7.010 -6.314 -5.711 -5.186 -4.728 -4.327 -3.975 -3.665 -3.392 -3.151 -2.938 -2.582 -2.521 -2.462 -2.406 -2.353 -2.301 -2.252 -2.205 -2.159 -2.115 -2.072 -2.031 -1.992 -1.954 -1.917 -1.883 -1.850 -1.819 99999.999 99999.999 99999.999 -11.023 -9.826 -8.750 -7.816 -7.010 -6.314 -5.711 -5.186 -4.727 -4.326 -3.973 -3.662 -3.388 -3.147 -2.933 -2.577 -2.515 -2.456 -2.400 -2.347 -2.295 -2.246 -2.199 -2.154 -2.110 -2.068 -2.028 -1.989 -1.952 -1.917 -1.883 -1.850 -1.820 -1.791 99999.999 99999.999 -11.013 -9.822 -8.748 -7.815 -7.010 -6.314 -5.710 -5.185 -4.726 -4.324 -3.970 -3.659 -3.385 -3.142 -2.928 -2.571 -2.509 -2.450 -2.394 -2.340 -2.289 -2.240 -2.193 -2.148 -2.105 -2.063 -2.024 -1.985 -1.949 -1.914 -1.880 -1.848 -1.818 -1.789 -1.762 -1.737 -11.002 -9.817 -8.746 -7.814 -7.009 -6.313 -5.709 -5.183 -4.724 -4.322 -3.968 -3.656 -3.381 -3.138 -2.923 -2.565 -2.503 -2.444 -2.387 -2.334 -2.282 -2.233 -2.187 -2.142 -2.099 -2.057 -2.018 -1.980 -1.944 -1.909 -1.876 -1.844 -1.814 -1.786 -1.759 -1.734 -10.894 -9.765 -8.716 -7.793 -6.992 -6.296 -5.691 -5.163 -4.700 -4.294 -3.936 -3.620 -3.340 -3.092 -2.872 -2.503 -2.439 -2.378 -2.320 -2.265 -2.212 -2.161 -2.113 -2.067 -2.024 -1.982 -1.942 -1.904 -1.868 -1.833 -1.800 -1.769 -1.739 -1.711 -1.684 -1.658 -10.776 -9.699 -8.670 -7.757 -6.959 -6.265 -5.659 -5.130 -4.665 -4.256 -3.895 -3.576 -3.293 -3.041 -2.817 -2.440 -2.374 -2.311 -2.252 -2.194 -2.140 -2.088 -2.038 -1.991 -1.945 -1.902 -1.861 -1.821 -1.784 -1.748 -1.714 -1.681 -1.650 -1.620 -1.592 -1.565 -10.652 -9.621 -8.612 -7.708 -6.915 -6.222 -5.617 -5.087 -4.621 -4.210 -3.847 -3.526 -3.240 -2.985 -2.758 -2.375 -2.308 -2.244 -2.183 -2.124 -2.069 -2.015 -1.964 -1.915 -1.869 -1.824 -1.781 -1.741 -1.702 -1.665 -1.629 -1.595 -1.563 -1.532 -1.503 -1.475 -10.523 -9.536 -8.545 -7.650 -6.862 -6.172 -5.567 -5.037 -4.570 -4.159 -3.794 -3.471 -3.183 -2.926 -2.697 -2.309 -2.241 -2.176 -2.114 -2.054 -1.998 -1.943 -1.891 -1.841 -1.793 -1.748 -1.704 -1.662 -1.622 -1.584 -1.548 -1.513 -1.479 -1.447 -1.417 -1.388 -10.390 -9.444 -8.471 -7.585 -6.802 -6.114 -5.511 -4.981 -4.514 -4.102 -3.737 -3.412 -3.123 -2.865 -2.634 -2.242 -2.174 -2.108 -2.045 -1.985 -1.927 -1.872 -1.819 -1.768 -1.720 -1.673 -1.629 -1.586 -1.545 -1.506 -1.469 -1.433 -1.399 -1.366 -1.335 -1.305 -10.255 -9.347 -8.391 -7.514 -6.736 -6.051 -5.450 -4.921 -4.454 -4.042 -3.676 -3.351 -3.061 -2.801 -2.569 -2.175 -2.106 -2.040 -1.976 -1.915 -1.857 -1.801 -1.747 -1.696 -1.647 -1.600 -1.555 -1.511 -1.470 -1.430 -1.392 -1.356 -1.321 -1.287 -1.255 -1.225 -10.117 -9.247 -8.306 -7.438 -6.666 -5.984 -5.385 -4.857 -4.391 -3.979 -3.613 -3.287 -2.996 -2.737 -2.504 -2.107 -2.038 -1.971 -1.907 -1.846 -1.787 -1.731 -1.677 -1.625 -1.575 -1.527 -1.482 -1.438 -1.396 -1.356 -1.317 -1.280 -1.245 -1.211 -1.178 -1.147 99999.999 -9.143 -8.218 -7.359 -6.592 -5.914 -5.316 -4.790 -4.325 -3.913 -3.548 -3.222 -2.931 -2.671 -2.438 -2.040 -1.970 -1.903 -1.839 -1.777 -1.718 -1.661 -1.607 -1.554 -1.504 -1.456 -1.410 -1.366 -1.323 -1.283 -1.244 -1.206 -1.170 -1.136 -1.103 -1.071 sepiolite Mg4Si6O15(OH)2(H2O)2*4H2O P-T:All Wt.(g/mol) = 647.860 V(cc/mol) = 285.600 D(g/cc) = 2.268 Ref: ST88 4 4.000 10 6.000 7 -1.000 2 -8.000 1 34.712 31.520 28.620 26.137 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.712 31.520 28.620 26.137 24.040 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.714 31.522 28.622 26.139 24.042 22.267 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.716 31.525 28.625 26.143 24.046 22.271 20.753 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.720 31.531 28.631 26.149 24.053 22.278 20.761 19.445 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.726 31.540 28.641 26.160 24.063 22.289 20.773 19.458 18.296 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.735 31.553 28.656 26.175 24.079 22.306 20.790 19.476 18.316 17.261 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.748 31.572 28.677 26.197 24.102 22.329 20.815 19.503 18.345 17.294 16.297 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.765 31.597 28.705 26.226 24.132 22.361 20.848 19.538 18.384 17.337 16.348 15.363 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.786 31.629 28.741 26.265 24.173 22.403 20.892 19.586 18.435 17.394 16.415 15.446 14.447 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.810 31.669 28.787 26.314 24.223 22.456 20.948 19.646 18.500 17.468 16.501 15.551 14.577 13.590 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.839 31.717 28.843 26.374 24.286 22.522 21.018 19.720 18.582 17.559 16.607 15.682 14.742 13.762 12.920 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.857 31.752 28.884 26.418 24.333 22.571 21.070 19.776 18.643 17.627 16.687 15.780 14.867 13.909 12.847 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.880 31.798 28.940 26.479 24.397 22.639 21.142 19.854 18.727 17.721 16.797 15.916 15.041 14.127 13.016 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.897 31.840 28.991 26.536 24.458 22.703 21.211 19.927 18.808 17.811 16.902 16.045 15.206 14.342 13.279 22.604 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.909 31.877 29.039 26.589 24.515 22.764 21.276 19.998 18.885 17.898 17.002 16.167 15.362 14.549 13.565 16.969 19.508 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.916 31.911 29.083 26.639 24.569 22.821 21.338 20.065 18.958 17.980 17.097 16.282 15.509 14.744 13.847 15.684 16.653 18.278 20.515 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.919 31.940 29.124 26.685 24.620 22.876 21.397 20.129 19.029 18.059 17.188 16.392 15.647 14.926 14.115 15.167 15.641 16.416 17.573 19.069 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.917 31.965 29.160 26.728 24.667 22.928 21.452 20.190 19.096 18.134 17.275 16.495 15.777 15.096 14.363 14.920 15.174 15.593 16.224 17.099 18.179 19.322 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.910 31.987 29.194 26.768 24.712 22.976 21.506 20.248 19.160 18.206 17.357 16.593 15.897 15.251 14.588 14.801 14.935 15.173 15.541 16.064 16.751 17.571 18.448 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.899 32.004 29.224 26.805 24.754 23.022 21.556 20.303 19.221 18.274 17.435 16.685 16.009 15.393 14.790 14.750 14.813 14.946 15.166 15.489 15.928 16.482 17.129 17.824 18.507 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.884 32.019 29.251 26.839 24.793 23.065 21.603 20.356 19.279 18.340 17.510 16.772 16.113 15.522 14.968 14.741 14.757 14.824 14.953 15.154 15.438 15.811 16.268 16.794 17.360 17.933 18.481 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.865 32.030 29.275 26.870 24.829 23.106 21.648 20.406 19.335 18.402 17.581 16.854 16.209 15.640 15.124 14.759 14.742 14.765 14.834 14.956 15.140 15.390 15.710 16.094 16.532 17.006 17.496 17.982 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.842 32.037 29.295 26.899 24.862 23.144 21.691 20.453 19.388 18.462 17.648 16.931 16.299 15.745 15.259 14.793 14.754 14.746 14.774 14.843 14.958 15.125 15.346 15.623 15.952 16.325 16.730 17.156 17.592 18.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 34.816 32.041 29.313 26.924 24.893 23.180 21.731 20.498 19.438 18.518 17.712 17.004 16.382 15.841 15.376 14.839 14.783 14.753 14.752 14.783 14.851 14.959 15.110 15.308 15.550 15.835 16.158 16.512 16.889 17.282 17.688 99999.999 99999.999 99999.999 99999.999 99999.999 34.785 32.042 29.328 26.947 24.922 23.213 21.768 20.540 19.486 18.573 17.774 17.072 16.459 15.928 15.477 14.892 14.824 14.778 14.756 14.760 14.793 14.858 14.959 15.097 15.274 15.489 15.740 16.025 16.338 16.676 17.035 17.412 17.807 99999.999 99999.999 99999.999 34.751 32.040 29.341 26.968 24.948 23.243 21.804 20.581 19.532 18.624 17.832 17.138 16.532 16.008 15.565 14.951 14.874 14.816 14.777 14.761 14.769 14.803 14.867 14.960 15.087 15.246 15.439 15.663 15.917 16.199 16.505 16.835 17.186 17.560 99999.999 99999.999 34.713 32.035 29.350 26.986 24.972 23.272 21.837 20.619 19.575 18.674 17.887 17.200 16.600 16.082 15.643 15.013 14.929 14.862 14.812 14.780 14.769 14.780 14.815 14.875 14.963 15.079 15.224 15.398 15.601 15.831 16.087 16.367 16.672 17.000 17.353 17.730 34.672 32.027 29.357 27.001 24.993 23.298 21.868 20.654 19.617 18.720 17.941 17.259 16.665 16.152 15.716 15.077 14.989 14.914 14.855 14.812 14.787 14.780 14.793 14.828 14.885 14.967 15.075 15.208 15.367 15.551 15.762 15.996 16.256 16.539 16.846 17.177 34.093 31.804 29.297 27.037 25.095 23.454 22.072 20.907 19.920 19.078 18.356 17.733 17.195 16.732 16.336 15.719 15.621 15.530 15.447 15.370 15.301 15.238 15.182 15.133 15.090 15.054 15.026 15.005 14.991 14.985 14.987 14.998 15.017 15.046 15.084 15.132 33.254 31.360 29.039 26.890 25.025 23.444 22.114 20.999 20.061 19.270 18.600 18.031 17.546 17.133 16.784 16.244 16.158 16.078 16.004 15.935 15.871 15.812 15.757 15.707 15.660 15.617 15.577 15.540 15.507 15.477 15.449 15.424 15.402 15.383 15.366 15.351 32.209 30.740 28.623 26.597 24.819 23.304 22.030 20.965 20.076 19.334 18.713 18.193 17.757 17.393 17.090 16.636 16.565 16.500 16.441 16.386 16.336 16.290 16.248 16.209 16.173 16.140 16.110 16.081 16.055 16.030 16.007 15.986 15.965 15.945 15.926 15.907 30.997 29.976 28.078 26.186 24.501 23.058 21.843 20.830 19.990 19.295 18.721 18.248 17.859 17.540 17.281 16.911 16.856 16.807 16.763 16.724 16.689 16.658 16.630 16.605 16.584 16.565 16.548 16.533 16.520 16.508 16.497 16.487 16.477 16.468 16.459 16.451 29.649 29.094 27.426 25.676 24.090 22.723 21.572 20.613 19.822 19.173 18.644 18.216 17.870 17.595 17.379 17.090 17.050 17.017 16.988 16.963 16.943 16.926 16.913 16.903 16.896 16.891 16.888 16.887 16.888 16.890 16.893 16.896 16.900 16.905 16.909 16.913 28.185 28.113 26.684 25.083 23.602 22.315 21.228 20.326 19.584 18.982 18.497 18.111 17.808 17.575 17.399 17.187 17.162 17.143 17.129 17.119 17.113 17.110 17.111 17.115 17.121 17.130 17.141 17.154 17.168 17.183 17.199 17.216 17.234 17.251 17.269 17.287 26.623 27.047 25.866 24.418 23.046 21.843 20.824 19.979 19.289 18.732 18.291 17.947 17.684 17.490 17.353 17.215 17.205 17.200 17.199 17.203 17.210 17.221 17.235 17.252 17.272 17.293 17.317 17.343 17.369 17.397 17.426 17.456 17.486 17.516 17.546 17.576 99999.999 25.909 24.980 23.692 22.433 21.317 20.368 19.582 18.943 18.433 18.035 17.731 17.508 17.352 17.252 17.184 17.188 17.196 17.209 17.225 17.246 17.269 17.296 17.326 17.357 17.391 17.427 17.465 17.503 17.543 17.584 17.625 17.667 17.709 17.750 17.792 sperrylite PtAs2 P-T:All Wt.(g/mol) = 344.930 V(cc/mol) = 29.230 D(g/cc) = 11.801 Ref: RG97 6 -1.000 4 -2.000 2 -1.000 1 1.000 40 2.000 25 1.000 6 -93.626 -86.046 -79.507 -73.827 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.626 -86.046 -79.507 -73.827 -68.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.626 -86.046 -79.508 -73.827 -68.851 -64.457 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.626 -86.047 -79.508 -73.828 -68.851 -64.458 -60.553 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.627 -86.048 -79.510 -73.829 -68.852 -64.458 -60.554 -57.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.629 -86.049 -79.511 -73.830 -68.853 -64.459 -60.554 -57.064 -53.931 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.630 -86.052 -79.514 -73.833 -68.855 -64.461 -60.555 -57.065 -53.931 -51.108 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.633 -86.056 -79.517 -73.836 -68.858 -64.463 -60.557 -57.065 -53.930 -51.106 -48.561 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.637 -86.061 -79.522 -73.841 -68.862 -64.466 -60.559 -57.066 -53.929 -51.104 -48.556 -46.264 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.642 -86.067 -79.529 -73.847 -68.867 -64.470 -60.561 -57.067 -53.929 -51.100 -48.549 -46.251 -44.191 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.649 -86.076 -79.538 -73.855 -68.874 -64.475 -60.565 -57.069 -53.928 -51.096 -48.540 -46.235 -44.165 -42.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.658 -86.087 -79.549 -73.865 -68.882 -64.482 -60.569 -57.070 -53.926 -51.091 -48.529 -46.216 -44.133 -42.272 -40.625 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.665 -86.096 -79.557 -73.872 -68.889 -64.487 -60.573 -57.072 -53.925 -51.087 -48.521 -46.201 -44.109 -42.236 -40.606 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.675 -86.108 -79.569 -73.883 -68.898 -64.495 -60.578 -57.074 -53.924 -51.082 -48.510 -46.182 -44.077 -42.186 -40.541 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.685 -86.120 -79.581 -73.894 -68.907 -64.502 -60.583 -57.076 -53.923 -51.077 -48.500 -46.164 -44.047 -42.139 -40.467 -35.608 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.695 -86.132 -79.593 -73.905 -68.916 -64.509 -60.588 -57.079 -53.923 -51.072 -48.490 -46.147 -44.019 -42.094 -40.394 -36.460 -35.474 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.705 -86.144 -79.605 -73.915 -68.925 -64.516 -60.592 -57.081 -53.922 -51.068 -48.481 -46.131 -43.993 -42.053 -40.325 -36.633 -35.883 -35.058 -34.177 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.715 -86.156 -79.616 -73.925 -68.934 -64.523 -60.597 -57.083 -53.921 -51.064 -48.473 -46.116 -43.969 -42.015 -40.262 -36.689 -36.011 -35.309 -34.573 -33.814 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.726 -86.168 -79.627 -73.936 -68.943 -64.530 -60.602 -57.085 -53.921 -51.060 -48.465 -46.102 -43.947 -41.981 -40.204 -36.706 -36.059 -35.407 -34.743 -34.065 -33.381 -32.718 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.736 -86.180 -79.639 -73.946 -68.951 -64.536 -60.607 -57.088 -53.921 -51.057 -48.457 -46.090 -43.927 -41.950 -40.153 -36.706 -36.074 -35.446 -34.818 -34.186 -33.551 -32.917 -32.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.747 -86.192 -79.650 -73.956 -68.960 -64.543 -60.611 -57.090 -53.920 -51.054 -48.450 -46.078 -43.909 -41.922 -40.108 -36.698 -36.073 -35.458 -34.849 -34.243 -33.639 -33.037 -32.440 -31.857 -31.296 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.757 -86.203 -79.661 -73.965 -68.968 -64.549 -60.616 -57.093 -53.920 -51.051 -48.444 -46.067 -43.892 -41.897 -40.068 -36.684 -36.065 -35.457 -34.858 -34.268 -33.682 -33.102 -32.527 -31.959 -31.403 -30.863 -30.344 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.768 -86.215 -79.672 -73.975 -68.976 -64.556 -60.620 -57.095 -53.920 -51.048 -48.438 -46.057 -43.876 -41.874 -40.034 -36.668 -36.051 -35.448 -34.856 -34.274 -33.700 -33.134 -32.575 -32.022 -31.478 -30.944 -30.422 -29.915 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.779 -86.226 -79.683 -73.985 -68.984 -64.562 -60.625 -57.097 -53.920 -51.045 -48.432 -46.047 -43.862 -41.854 -40.004 -36.651 -36.035 -35.434 -34.846 -34.270 -33.704 -33.147 -32.598 -32.057 -31.524 -30.999 -30.483 -29.978 -29.484 -29.000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -93.790 -86.238 -79.693 -73.994 -68.992 -64.568 -60.629 -57.100 -53.920 -51.042 -48.426 -46.038 -43.850 -41.836 -39.979 -36.632 -36.017 -35.418 -34.832 -34.259 -33.698 -33.147 -32.606 -32.073 -31.549 -31.033 -30.525 -30.025 -29.534 -29.051 -28.576 99999.999 99999.999 99999.999 99999.999 99999.999 -93.801 -86.249 -79.704 -74.003 -69.000 -64.575 -60.634 -57.102 -53.920 -51.040 -48.421 -46.030 -43.838 -41.820 -39.958 -36.613 -35.998 -35.399 -34.815 -34.244 -33.686 -33.139 -32.603 -32.077 -31.559 -31.050 -30.549 -30.055 -29.570 -29.091 -28.620 -28.154 -27.694 99999.999 99999.999 99999.999 -93.812 -86.260 -79.714 -74.013 -69.008 -64.581 -60.638 -57.104 -53.920 -51.038 -48.416 -46.022 -43.827 -41.806 -39.939 -36.594 -35.979 -35.380 -34.797 -34.227 -33.671 -33.127 -32.594 -32.071 -31.559 -31.055 -30.560 -30.072 -29.592 -29.119 -28.652 -28.191 -27.735 -27.283 99999.999 99999.999 -93.823 -86.272 -79.725 -74.022 -69.015 -64.587 -60.642 -57.107 -53.921 -51.036 -48.411 -46.015 -43.817 -41.793 -39.923 -36.575 -35.960 -35.361 -34.777 -34.208 -33.653 -33.111 -32.580 -32.061 -31.551 -31.052 -30.561 -30.078 -29.603 -29.135 -28.673 -28.218 -27.767 -27.320 -26.877 -26.436 -93.834 -86.283 -79.735 -74.031 -69.023 -64.593 -60.646 -57.109 -53.921 -51.034 -48.407 -46.008 -43.807 -41.780 -39.908 -36.555 -35.940 -35.341 -34.757 -34.189 -33.634 -33.092 -32.563 -32.046 -31.539 -31.042 -30.555 -30.076 -29.605 -29.142 -28.685 -28.234 -27.788 -27.347 -26.910 -26.475 -93.950 -86.393 -79.834 -74.116 -69.094 -64.649 -60.687 -57.132 -53.925 -51.018 -48.369 -45.947 -43.723 -41.673 -39.777 -36.381 -35.758 -35.152 -34.562 -33.987 -33.428 -32.883 -32.352 -31.834 -31.329 -30.836 -30.355 -29.885 -29.426 -28.977 -28.538 -28.107 -27.686 -27.272 -26.867 -26.468 -94.073 -86.501 -79.927 -74.196 -69.160 -64.701 -60.724 -57.155 -53.932 -51.008 -48.342 -45.901 -43.658 -41.589 -39.673 -36.239 -35.608 -34.994 -34.396 -33.814 -33.247 -32.695 -32.156 -31.632 -31.120 -30.620 -30.133 -29.657 -29.193 -28.739 -28.296 -27.863 -27.440 -27.026 -26.621 -26.225 -94.202 -86.607 -80.016 -74.270 -69.221 -64.749 -60.759 -57.176 -53.940 -51.002 -48.321 -45.865 -43.606 -41.520 -39.589 -36.121 -35.484 -34.863 -34.259 -33.670 -33.096 -32.537 -31.992 -31.460 -30.942 -30.436 -29.942 -29.459 -28.988 -28.528 -28.079 -27.640 -27.211 -26.791 -26.381 -25.980 -94.335 -86.713 -80.103 -74.341 -69.278 -64.793 -60.792 -57.198 -53.949 -50.999 -48.305 -45.836 -43.563 -41.464 -39.518 -36.023 -35.379 -34.753 -34.143 -33.549 -32.969 -32.404 -31.853 -31.316 -30.791 -30.279 -29.779 -29.291 -28.814 -28.349 -27.893 -27.448 -27.013 -26.588 -26.172 -25.765 -94.472 -86.818 -80.187 -74.410 -69.333 -64.836 -60.824 -57.218 -53.959 -50.998 -48.293 -45.812 -43.528 -41.416 -39.458 -35.939 -35.290 -34.659 -34.044 -33.445 -32.861 -32.291 -31.735 -31.192 -30.663 -30.146 -29.641 -29.147 -28.666 -28.195 -27.734 -27.284 -26.844 -26.414 -25.992 -25.580 -94.612 -86.922 -80.270 -74.476 -69.386 -64.878 -60.854 -57.239 -53.970 -50.998 -48.284 -45.793 -43.498 -41.376 -39.407 -35.866 -35.214 -34.578 -33.959 -33.355 -32.767 -32.193 -31.632 -31.085 -30.552 -30.030 -29.521 -29.023 -28.537 -28.062 -27.597 -27.142 -26.698 -26.263 -25.837 -25.421 -94.755 -87.027 -80.352 -74.541 -69.438 -64.918 -60.884 -57.259 -53.981 -51.000 -48.277 -45.776 -43.472 -41.341 -39.363 -35.803 -35.147 -34.508 -33.885 -33.277 -32.685 -32.107 -31.543 -30.992 -30.455 -29.929 -29.416 -28.915 -28.425 -27.946 -27.477 -27.019 -26.570 -26.132 -25.702 -25.282 99999.999 -87.131 -80.433 -74.606 -69.489 -64.957 -60.913 -57.279 -53.992 -51.003 -48.271 -45.763 -43.451 -41.311 -39.325 -35.748 -35.088 -34.446 -33.819 -33.209 -32.613 -32.032 -31.464 -30.910 -30.369 -29.841 -29.325 -28.820 -28.326 -27.844 -27.372 -26.911 -26.459 -26.017 -25.584 -25.161 sperrylite PtAs2 P-T:All Wt.(g/mol) = 344.930 V(cc/mol) = 29.230 D(g/cc) = 11.801 Ref: RG97 4 -2.000 2 -2.000 31 1.000 40 2.000 25 58.473 52.271 46.932 42.287 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.473 52.271 46.932 42.287 38.198 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.474 52.272 46.933 42.288 38.199 34.561 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.477 52.275 46.935 42.290 38.202 34.563 31.288 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.481 52.279 46.939 42.293 38.205 34.566 31.292 28.313 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.488 52.285 46.944 42.299 38.211 34.572 31.298 28.319 25.578 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.499 52.294 46.953 42.307 38.219 34.581 31.307 28.329 25.590 23.036 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.514 52.307 46.966 42.319 38.231 34.593 31.320 28.343 25.605 23.054 20.636 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.534 52.326 46.983 42.336 38.248 34.610 31.338 28.363 25.627 23.080 20.667 18.329 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.562 52.350 47.006 42.358 38.270 34.633 31.362 28.388 25.656 23.113 20.709 18.384 16.062 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.598 52.382 47.036 42.387 38.299 34.662 31.393 28.422 25.693 23.157 20.762 18.455 16.165 13.765 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.644 52.423 47.075 42.425 38.336 34.700 31.433 28.465 25.741 23.211 20.829 18.542 16.289 13.966 11.242 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.680 52.455 47.104 42.454 38.365 34.730 31.463 28.498 25.777 23.253 20.879 18.607 16.379 14.106 11.534 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.732 52.501 47.147 42.495 38.406 34.771 31.507 28.544 25.829 23.312 20.949 18.696 16.501 14.289 11.867 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.782 52.547 47.190 42.537 38.447 34.813 31.550 28.590 25.879 23.369 21.016 18.781 16.615 14.456 12.148 7.067 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.833 52.592 47.232 42.578 38.487 34.854 31.593 28.636 25.929 23.424 21.082 18.862 16.722 14.608 12.393 8.359 7.028 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.883 52.637 47.275 42.618 38.528 34.895 31.635 28.681 25.977 23.479 21.146 18.940 16.823 14.748 12.610 8.813 7.829 6.669 5.188 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.934 52.682 47.317 42.659 38.568 34.935 31.677 28.725 26.025 23.532 21.207 19.014 16.918 14.877 12.806 9.118 8.249 7.307 6.246 5.001 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.983 52.727 47.359 42.699 38.608 34.976 31.718 28.769 26.072 23.585 21.267 19.086 17.008 14.996 12.982 9.357 8.549 7.702 6.796 5.806 4.697 3.446 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 59.033 52.771 47.401 42.740 38.648 35.016 31.760 28.812 26.119 23.636 21.325 19.155 17.093 15.108 13.141 9.559 8.789 7.997 7.171 6.300 5.365 4.350 3.243 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 59.082 52.816 47.442 42.780 38.687 35.055 31.800 28.855 26.165 23.686 21.382 19.221 17.174 15.211 13.286 9.735 8.993 8.237 7.462 6.658 5.817 4.929 3.985 2.981 1.919 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 59.131 52.860 47.484 42.820 38.726 35.095 31.841 28.897 26.210 23.736 21.438 19.285 17.251 15.307 13.416 9.894 9.173 8.444 7.702 6.943 6.161 5.349 4.503 3.617 2.690 1.727 0.737 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 59.180 52.904 47.525 42.860 38.766 35.134 31.881 28.939 26.255 23.785 21.492 19.347 17.324 15.397 13.535 10.038 9.334 8.626 7.910 7.183 6.441 5.680 4.897 4.087 3.250 2.387 1.500 0.598 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 59.228 52.947 47.566 42.899 38.804 35.173 31.921 28.981 26.299 23.833 21.545 19.408 17.394 15.481 13.642 10.171 9.481 8.789 8.094 7.391 6.679 5.955 5.216 4.459 3.684 2.889 2.078 1.254 0.423 -0.408 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 59.276 52.991 47.607 42.939 38.843 35.212 31.961 29.022 26.343 23.880 21.597 19.466 17.461 15.561 13.740 10.296 9.617 8.939 8.260 7.577 6.888 6.191 5.485 4.766 4.036 3.292 2.536 1.770 0.998 0.225 -0.544 99999.999 99999.999 99999.999 99999.999 99999.999 59.324 53.034 47.648 42.978 38.882 35.251 32.000 29.063 26.386 23.926 21.648 19.523 17.526 15.636 13.831 10.412 9.744 9.078 8.412 7.745 7.075 6.400 5.718 5.030 4.332 3.626 2.912 2.190 1.464 0.737 0.013 -0.704 -1.407 99999.999 99999.999 99999.999 59.372 53.078 47.689 43.017 38.920 35.289 32.039 29.103 26.429 23.972 21.698 19.578 17.588 15.707 13.914 10.523 9.863 9.207 8.553 7.899 7.244 6.587 5.926 5.261 4.590 3.913 3.231 2.544 1.854 1.163 0.475 -0.208 -0.880 -1.538 99999.999 99999.999 59.419 53.121 47.729 43.056 38.958 35.327 32.078 29.143 26.471 24.017 21.747 19.632 17.648 15.775 13.992 10.627 9.976 9.329 8.685 8.042 7.400 6.758 6.114 5.467 4.818 4.165 3.508 2.849 2.187 1.526 0.867 0.213 -0.432 -1.067 -1.687 -2.289 59.467 53.164 47.770 43.095 38.996 35.365 32.116 29.183 26.513 24.062 21.795 19.685 17.707 15.840 14.067 10.727 10.083 9.444 8.808 8.176 7.545 6.915 6.286 5.655 5.023 4.389 3.753 3.116 2.479 1.842 1.207 0.577 -0.046 -0.660 -1.261 -1.848 59.927 53.585 48.166 43.476 39.369 35.734 32.489 29.565 26.910 24.481 22.244 20.170 18.236 16.423 14.713 11.548 10.948 10.357 9.776 9.202 8.636 8.076 7.523 6.975 6.433 5.895 5.363 4.835 4.311 3.792 3.277 2.767 2.262 1.761 1.266 0.777 60.368 53.993 48.551 43.845 39.728 36.089 32.843 29.924 27.279 24.864 22.646 20.597 18.692 16.913 15.243 12.178 11.602 11.037 10.483 9.938 9.402 8.875 8.355 7.844 7.339 6.842 6.351 5.866 5.387 4.914 4.446 3.984 3.527 3.075 2.628 2.186 60.794 54.389 48.926 44.204 40.077 36.431 33.183 30.265 27.625 25.221 23.016 20.983 19.099 17.345 15.703 12.705 12.144 11.596 11.058 10.531 10.014 9.506 9.008 8.517 8.035 7.561 7.094 6.633 6.180 5.733 5.292 4.857 4.428 4.004 3.585 3.171 61.207 54.776 49.292 44.555 40.416 36.763 33.511 30.593 27.956 25.557 23.361 21.341 19.472 17.735 16.113 13.164 12.615 12.077 11.552 11.037 10.533 10.039 9.554 9.078 8.611 8.152 7.700 7.256 6.820 6.390 5.967 5.549 5.138 4.733 4.333 3.939 61.611 55.154 49.651 44.898 40.748 37.087 33.830 30.909 28.273 25.877 23.687 21.676 19.818 18.094 16.488 13.575 13.034 12.505 11.988 11.483 10.988 10.504 10.029 9.563 9.107 8.659 8.219 7.787 7.362 6.944 6.533 6.129 5.731 5.339 4.952 4.571 62.006 55.526 50.003 45.235 41.073 37.404 34.140 31.216 28.579 26.184 23.999 21.993 20.143 18.429 16.835 13.950 13.415 12.893 12.383 11.884 11.397 10.919 10.452 9.995 9.546 9.106 8.675 8.251 7.836 7.427 7.025 6.630 6.242 5.859 5.483 5.112 62.395 55.892 50.349 45.566 41.392 37.714 34.444 31.515 28.875 26.481 24.297 22.295 20.451 18.745 17.160 14.296 13.766 13.249 12.745 12.251 11.769 11.298 10.837 10.385 9.943 9.509 9.084 8.667 8.258 7.857 7.462 7.074 6.693 6.318 5.949 5.585 99999.999 56.254 50.691 45.892 41.706 38.018 34.741 31.808 29.164 26.769 24.585 22.586 20.746 19.045 17.466 14.620 14.094 13.581 13.080 12.591 12.113 11.647 11.190 10.743 10.306 9.877 9.457 9.046 8.642 8.246 7.856 7.474 7.098 6.729 6.366 6.008 stibnite Sb2S3 P-T:All Wt.(g/mol) = 339.690 V(cc/mol) = 73.414 D(g/cc) = 4.627 Ref: Bess05 4 -6.000 2 2.000 24 3.000 6 3.000 1 -61.423 -56.099 -51.781 -48.248 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -61.423 -56.099 -51.781 -48.248 -45.338 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-37.513 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -61.038 -55.906 -51.648 -48.120 -45.188 -42.743 -40.702 -39.001 -37.588 -36.426 -35.482 -34.732 -34.157 -33.744 -33.492 -33.377 -33.439 -33.531 -33.655 -33.813 -34.008 -34.243 -34.521 -34.846 -35.220 -35.642 -36.110 -36.621 -37.164 -37.731 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -61.014 -55.893 -51.638 -48.111 -45.178 -42.730 -40.686 -38.980 -37.563 -36.394 -35.442 -34.682 -34.095 -33.665 -33.388 -33.236 -33.282 -33.356 -33.458 -33.589 -33.753 -33.950 -34.184 -34.455 -34.766 -35.116 -35.505 -35.930 -36.385 -36.865 -37.361 99999.999 99999.999 99999.999 99999.999 99999.999 -60.991 -55.880 -51.628 -48.101 -45.167 -42.717 -40.670 -38.960 -37.538 -36.363 -35.404 -34.635 -34.036 -33.592 -33.294 -33.104 -33.137 -33.195 -33.278 -33.389 -33.527 -33.695 -33.894 -34.125 -34.389 -34.686 -35.015 -35.375 -35.763 -36.174 -36.602 -37.041 -37.484 99999.999 99999.999 99999.999 -60.968 -55.867 -51.618 -48.092 -45.156 -42.704 -40.654 -38.940 -37.513 -36.332 -35.366 -34.589 -33.980 -33.523 -33.208 -32.981 -33.002 -33.046 -33.114 -33.206 -33.324 -33.468 -33.639 -33.838 -34.065 -34.321 -34.605 -34.916 -35.251 -35.607 -35.980 -36.366 -36.759 -37.153 99999.999 99999.999 -60.945 -55.854 -51.608 -48.082 -45.145 -42.691 -40.638 -38.921 -37.489 -36.302 -35.330 -34.545 -33.926 -33.458 -33.128 -32.864 -32.875 -32.907 -32.961 -33.038 -33.138 -33.262 -33.410 -33.584 -33.782 -34.005 -34.253 -34.525 -34.818 -35.131 -35.460 -35.802 -36.152 -36.506 -36.860 -37.210 -60.922 -55.840 -51.597 -48.072 -45.134 -42.678 -40.622 -38.901 -37.465 -36.273 -35.294 -34.501 -33.874 -33.395 -33.053 -32.754 -32.755 -32.776 -32.819 -32.882 -32.967 -33.074 -33.203 -33.355 -33.529 -33.726 -33.945 -34.185 -34.444 -34.722 -35.015 -35.320 -35.635 -35.955 -36.277 -36.598 -60.707 -55.709 -51.492 -47.969 -45.022 -42.549 -40.468 -38.715 -37.240 -36.003 -34.970 -34.116 -33.418 -32.858 -32.421 -31.875 -31.813 -31.767 -31.736 -31.720 -31.718 -31.730 -31.755 -31.794 -31.847 -31.912 -31.990 -32.079 -32.181 -32.293 -32.415 -32.548 -32.689 -32.838 -32.995 -33.157 -60.511 -55.580 -51.384 -47.863 -44.907 -42.419 -40.318 -38.541 -37.036 -35.764 -34.691 -33.791 -33.042 -32.426 -31.926 -31.229 -31.133 -31.051 -30.981 -30.924 -30.879 -30.845 -30.823 -30.813 -30.813 -30.823 -30.844 -30.874 -30.914 -30.963 -31.021 -31.087 -31.162 -31.243 -31.332 -31.428 -60.333 -55.456 -51.275 -47.754 -44.792 -42.291 -40.174 -38.376 -36.847 -35.547 -34.443 -33.508 -32.720 -32.060 -31.514 -30.710 -30.591 -30.483 -30.388 -30.304 -30.232 -30.170 -30.119 -30.077 -30.046 -30.023 -30.010 -30.006 -30.010 -30.023 -30.043 -30.071 -30.107 -30.150 -30.199 -30.255 -60.168 -55.335 -51.166 -47.646 -44.677 -42.165 -40.034 -38.219 -36.670 -35.347 -34.217 -33.254 -32.434 -31.740 -31.157 -30.273 -30.136 -30.010 -29.896 -29.793 -29.701 -29.618 -29.546 -29.483 -29.430 -29.385 -29.348 -29.321 -29.301 -29.288 -29.284 -29.286 -29.296 -29.312 -29.335 -29.364 -60.015 -55.219 -51.060 -47.538 -44.563 -42.042 -39.898 -38.068 -36.503 -35.161 -34.010 -33.022 -32.177 -31.455 -30.842 -29.893 -29.742 -29.602 -29.473 -29.356 -29.248 -29.150 -29.062 -28.983 -28.913 -28.851 -28.797 -28.752 -28.714 -28.684 -28.661 -28.644 -28.635 -28.632 -28.635 -28.645 -59.871 -55.106 -50.955 -47.432 -44.450 -41.920 -39.766 -37.923 -36.344 -34.986 -33.816 -32.809 -31.942 -31.197 -30.559 -29.556 -29.394 -29.243 -29.102 -28.972 -28.853 -28.742 -28.642 -28.550 -28.466 -28.392 -28.325 -28.265 -28.214 -28.169 -28.132 -28.101 -28.077 -28.060 -28.048 -28.043 -59.736 -54.997 -50.852 -47.328 -44.340 -41.802 -39.637 -37.784 -36.191 -34.819 -33.634 -32.610 -31.725 -30.960 -30.302 -29.254 -29.082 -28.921 -28.771 -28.631 -28.501 -28.381 -28.270 -28.168 -28.074 -27.988 -27.910 -27.840 -27.777 -27.722 -27.673 -27.631 -27.596 -27.567 -27.544 -27.526 99999.999 -54.891 -50.752 -47.226 -44.232 -41.686 -39.512 -37.649 -36.045 -34.661 -33.463 -32.424 -31.523 -30.741 -30.065 -28.978 -28.798 -28.630 -28.471 -28.323 -28.185 -28.056 -27.937 -27.826 -27.723 -27.628 -27.542 -27.463 -27.391 -27.326 -27.268 -27.217 -27.172 -27.134 -27.101 -27.075 stibnite Sb2S3 P-T:All Wt.(g/mol) = 339.690 V(cc/mol) = 73.414 D(g/cc) = 4.627 Ref: Bess05 5 -6.000 2 2.000 24 -6.000 31 6.000 1 3.000 4 394.873 358.852 327.536 300.093 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 394.874 358.852 327.536 300.093 275.808 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 394.879 358.857 327.541 300.097 275.812 254.116 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 394.890 358.866 327.550 300.106 275.820 254.125 234.566 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 394.907 358.882 327.564 300.120 275.834 254.138 234.580 216.793 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 394.936 358.908 327.588 300.142 275.856 254.161 234.603 216.817 200.502 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 394.978 358.945 327.623 300.176 275.889 254.194 234.637 216.853 200.541 185.436 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 395.040 359.000 327.674 300.224 275.936 254.241 234.685 216.905 200.598 185.500 171.362 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 395.124 359.075 327.743 300.291 276.002 254.306 234.752 216.975 200.675 185.588 171.468 158.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 395.236 359.175 327.836 300.380 276.089 254.393 234.841 217.069 200.777 185.704 171.608 158.235 145.259 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 395.383 359.305 327.958 300.496 276.202 254.507 234.957 217.191 200.909 185.854 171.787 158.468 145.599 132.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 395.573 359.474 328.114 300.645 276.348 254.652 235.106 217.347 201.077 186.043 172.012 158.755 146.006 133.344 119.376 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 395.720 359.604 328.236 300.761 276.461 254.765 235.221 217.467 201.206 186.187 172.181 158.968 146.301 133.814 120.539 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 395.930 359.791 328.409 300.926 276.622 254.925 235.384 217.637 201.389 186.390 172.417 159.262 146.697 134.418 121.738 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 396.139 359.977 328.581 301.090 276.782 255.084 235.546 217.805 201.568 186.588 172.646 159.542 147.067 134.957 122.682 90.556 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 396.347 360.162 328.753 301.254 276.940 255.242 235.706 217.971 201.745 186.781 172.868 159.810 147.414 135.445 123.480 98.861 90.925 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 396.555 360.346 328.924 301.416 277.098 255.398 235.864 218.135 201.919 186.971 173.083 160.067 147.740 135.893 124.175 101.334 95.665 88.954 80.614 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 396.761 360.530 329.094 301.578 277.255 255.553 236.021 218.297 202.090 187.157 173.293 160.314 148.049 136.306 124.792 102.797 97.851 92.483 86.455 79.516 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 396.967 360.713 329.263 301.739 277.411 255.708 236.176 218.457 202.258 187.340 173.497 160.553 148.341 136.689 125.347 103.859 99.268 94.468 89.350 83.784 77.651 70.917 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 397.172 360.894 329.431 301.899 277.566 255.861 236.331 218.616 202.425 187.519 173.696 160.783 148.619 137.046 125.848 104.706 100.329 95.840 91.179 86.279 81.062 75.471 69.495 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 397.376 361.076 329.599 302.058 277.720 256.013 236.483 218.773 202.589 187.695 173.891 161.005 148.885 137.379 126.303 105.418 101.186 96.895 92.508 87.983 83.276 78.342 73.154 67.712 62.059 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 397.579 361.256 329.766 302.216 277.873 256.164 236.635 218.928 202.751 187.868 174.081 161.220 149.138 137.692 126.718 106.038 101.912 97.758 93.553 89.269 84.877 80.346 75.651 70.781 65.743 60.568 55.307 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 397.781 361.436 329.932 302.374 278.026 256.314 236.786 219.081 202.911 188.039 174.267 161.429 149.381 137.986 127.098 106.589 102.545 98.494 94.420 90.303 86.122 81.857 77.488 73.002 68.397 63.681 58.879 54.028 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 397.983 361.615 330.098 302.531 278.177 256.463 236.935 219.234 203.070 188.207 174.449 161.632 149.614 138.263 127.448 107.089 103.109 99.139 95.163 91.169 87.140 83.062 78.920 74.702 70.403 66.023 61.574 57.076 52.555 48.044 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 398.184 361.793 330.263 302.687 278.328 256.611 237.083 219.385 203.226 188.372 174.628 161.830 149.838 138.526 127.771 107.547 103.621 99.715 95.817 91.918 88.004 84.064 80.087 76.064 71.988 67.857 63.676 59.454 55.209 50.962 46.737 99999.999 99999.999 99999.999 99999.999 99999.999 398.384 361.971 330.427 302.842 278.478 256.758 237.230 219.534 203.381 188.535 174.803 162.023 150.055 138.776 128.071 107.972 104.091 100.238 96.403 92.579 88.755 84.922 81.071 77.194 73.286 69.344 65.367 61.362 57.339 53.311 49.295 45.311 41.376 99999.999 99999.999 99999.999 398.583 362.148 330.591 302.997 278.628 256.905 237.376 219.682 203.534 188.697 174.976 162.211 150.264 139.015 128.352 108.369 104.526 100.717 96.936 93.173 89.422 85.674 81.922 78.159 74.381 70.584 66.767 62.933 59.087 55.239 51.401 47.585 43.807 40.082 99999.999 99999.999 398.782 362.324 330.754 303.151 278.776 257.050 237.521 219.829 203.686 188.856 175.146 162.395 150.468 139.245 128.617 108.742 104.932 101.162 97.425 93.714 90.023 86.344 82.672 79.000 75.325 71.643 67.953 64.256 60.554 56.853 53.163 49.492 45.851 42.254 38.710 35.232 398.980 362.500 330.916 303.305 278.924 257.195 237.665 219.975 203.836 189.013 175.313 162.576 150.667 139.467 128.870 109.095 105.314 101.577 97.879 94.212 90.571 86.950 83.343 79.747 76.156 72.567 68.980 65.393 61.808 58.229 54.662 51.114 47.593 44.108 40.669 37.285 400.925 364.226 332.508 304.808 280.367 258.603 239.060 221.377 205.267 190.495 176.871 164.236 152.459 141.429 131.049 111.912 108.304 104.760 101.276 97.848 94.473 91.148 87.869 84.633 81.439 78.284 75.165 72.082 69.032 66.015 63.030 60.076 57.154 54.263 51.404 48.577 402.812 365.902 334.051 306.259 281.756 259.950 240.383 222.695 206.596 191.853 178.274 165.703 154.008 143.079 132.824 114.021 110.497 107.044 103.656 100.333 97.069 93.863 90.712 87.613 84.564 81.563 78.607 75.696 72.826 69.996 67.206 64.454 61.738 59.058 56.413 53.803 404.654 367.534 335.553 307.669 283.100 261.248 241.652 223.949 207.850 193.120 179.568 167.038 155.396 144.535 134.361 115.768 112.294 108.894 105.563 102.300 99.100 95.961 92.881 89.856 86.885 83.966 81.095 78.272 75.495 72.761 70.070 67.420 64.808 62.235 59.699 57.199 406.458 369.131 337.018 309.043 284.406 262.505 242.876 225.152 209.045 194.318 180.782 168.276 156.671 145.856 135.737 117.286 113.847 110.482 107.189 103.965 100.806 97.710 94.675 91.698 88.776 85.908 83.090 80.322 77.602 74.927 72.296 69.707 67.160 64.651 62.181 59.748 408.233 370.697 338.454 310.386 285.681 263.729 244.063 226.314 210.193 195.462 181.931 169.441 157.859 147.076 136.997 118.647 115.231 111.892 108.625 105.428 102.298 99.233 96.229 93.284 90.396 87.562 84.781 82.050 79.368 76.732 74.142 71.595 69.089 66.624 64.198 61.810 409.983 372.239 339.864 311.702 286.928 264.924 245.218 227.442 211.302 196.562 183.030 170.547 158.980 148.218 138.167 119.891 116.492 113.171 109.923 106.746 103.637 100.594 97.612 94.691 91.827 89.018 86.263 83.559 80.904 78.296 75.734 73.216 70.741 68.306 65.911 63.554 411.714 373.760 341.251 312.995 288.150 266.093 246.346 228.539 212.377 197.624 184.087 171.605 160.045 149.297 139.266 121.044 117.658 114.350 111.117 107.955 104.861 101.833 98.868 95.964 93.118 90.328 87.592 84.907 82.272 79.685 77.145 74.648 72.194 69.782 67.410 65.076 99999.999 375.263 342.618 314.266 289.351 267.239 247.450 229.611 213.425 198.656 185.108 172.623 161.066 150.326 140.307 122.123 118.747 115.449 112.227 109.076 105.994 102.978 100.026 97.135 94.302 91.526 88.804 86.134 83.514 80.942 78.417 75.937 73.499 71.104 68.748 66.431 topaz Al2SiO4F2 P-T:All Wt.(g/mol) = 184.043 V(cc/mol) = 51.530 D(g/cc) = 3.572 Ref: RH95 4 2.000 8 1.000 7 2.000 23 -4.000 1 -10.778 -12.338 -13.862 -15.290 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.778 -12.338 -13.862 -15.290 -16.627 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.776 -12.336 -13.860 -15.288 -16.624 -17.891 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.772 -12.332 -13.856 -15.284 -16.620 -17.887 -19.107 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.799 73.337 61.493 51.165 42.104 34.066 26.842 20.259 14.180 8.469 2.980 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.885 73.428 61.584 51.256 42.196 34.160 26.940 20.364 14.294 8.596 3.129 -2.244 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.999 73.548 61.704 51.377 42.318 34.285 27.071 20.503 14.445 8.765 3.325 -2.007 -7.271 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 87.144 73.701 61.858 51.532 42.474 34.446 27.239 20.682 14.639 8.981 3.578 -1.700 -6.915 -11.807 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 87.325 73.893 62.053 51.727 42.672 34.649 27.451 20.908 14.884 9.254 3.895 -1.312 -6.448 -11.450 -14.959 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 87.460 74.039 62.200 51.875 42.822 34.803 27.612 21.080 15.069 9.460 4.135 -1.019 -6.085 -11.079 -15.808 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 87.646 74.241 62.407 52.083 43.033 35.020 27.838 21.320 15.330 9.749 4.470 -0.610 -5.572 -10.485 -15.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 87.824 74.436 62.606 52.285 43.238 35.230 28.058 21.554 15.582 10.029 4.793 -0.217 -5.075 -9.867 -15.073 25.745 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 87.993 74.624 62.799 52.481 43.437 35.435 28.272 21.781 15.828 10.300 5.105 0.161 -4.598 -9.255 -14.288 -1.409 10.388 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 88.154 74.806 62.987 52.670 43.630 35.634 28.480 22.002 16.066 10.564 5.406 0.522 -4.143 -8.664 -13.463 -7.809 -3.564 3.930 14.870 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 88.307 74.980 63.168 52.855 43.818 35.827 28.683 22.217 16.298 10.819 5.696 0.868 -3.713 -8.105 -12.656 -10.589 -8.712 -5.364 -0.074 7.138 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 88.452 75.148 63.343 53.034 44.001 36.016 28.880 22.426 16.523 11.066 5.976 1.198 -3.307 -7.581 -11.897 -12.075 -11.266 -9.645 -6.957 -3.009 2.123 7.903 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 88.590 75.310 63.513 53.208 44.179 36.199 29.071 22.630 16.743 11.307 6.247 1.513 -2.925 -7.097 -11.200 -12.940 -12.718 -11.982 -10.594 -8.414 -5.367 -1.533 2.791 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 88.720 75.466 63.678 53.377 44.352 36.378 29.258 22.829 16.956 11.540 6.507 1.813 -2.567 -6.651 -10.574 -13.456 -13.596 -13.381 -12.729 -11.550 -9.770 -7.365 -4.405 -1.068 2.391 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 88.844 75.616 63.837 53.541 44.520 36.552 29.440 23.022 17.164 11.767 6.759 2.099 -2.232 -6.244 -10.019 -13.758 -14.138 -14.258 -14.064 -13.499 -12.505 -11.046 -9.118 -6.778 -4.138 -1.349 1.439 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 88.960 75.761 63.991 53.700 44.683 36.721 29.618 23.210 17.366 11.987 7.003 2.373 -1.918 -5.873 -9.535 -13.918 -14.467 -14.816 -14.928 -14.764 -14.283 -13.453 -12.253 -10.691 -8.807 -6.677 -4.392 -2.045 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.070 75.900 64.140 53.855 44.843 36.886 29.790 23.393 17.564 12.201 7.238 2.634 -1.625 -5.536 -9.115 -13.981 -14.654 -15.165 -15.492 -15.604 -15.475 -15.077 -14.388 -13.400 -12.123 -10.587 -8.841 -6.942 -4.948 -2.903 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.173 76.033 64.285 54.005 44.998 37.047 29.959 23.572 17.756 12.410 7.466 2.884 -1.349 -5.229 -8.755 -13.975 -14.741 -15.373 -15.855 -16.167 -16.287 -16.195 -15.873 -15.307 -14.495 -13.444 -12.178 -10.728 -9.130 -7.422 -5.631 99999.999 99999.999 99999.999 99999.999 99999.999 89.270 76.161 64.425 54.151 45.148 37.203 30.123 23.747 17.943 12.613 7.686 3.124 -1.089 -4.949 -8.445 -13.919 -14.755 -15.479 -16.078 -16.537 -16.841 -16.974 -16.920 -16.667 -16.208 -15.541 -14.673 -13.621 -12.404 -11.047 -9.573 -7.999 -6.335 99999.999 99999.999 99999.999 89.361 76.285 64.560 54.292 45.295 37.356 30.283 23.917 18.126 12.810 7.900 3.355 -0.842 -4.690 -8.174 -13.826 -14.718 -15.513 -16.201 -16.772 -17.214 -17.515 -17.663 -17.646 -17.456 -17.088 -16.543 -15.825 -14.945 -13.916 -12.755 -11.475 -10.088 -8.599 99999.999 99999.999 89.446 76.403 64.691 54.430 45.438 37.504 30.439 24.083 18.304 13.003 8.109 3.579 -0.606 -4.447 -7.932 -13.705 -14.640 -15.491 -16.249 -16.907 -17.456 -17.886 -18.188 -18.352 -18.370 -18.237 -17.948 -17.505 -16.910 -16.172 -15.298 -14.299 -13.184 -11.959 -10.629 -9.194 89.525 76.517 64.818 54.564 45.577 37.649 30.591 24.244 18.478 13.191 8.312 3.796 -0.377 -4.213 -7.704 -13.563 -14.533 -15.428 -16.242 -16.968 -17.600 -18.131 -18.553 -18.858 -19.039 -19.090 -19.007 -18.787 -18.430 -17.940 -17.320 -16.576 -15.714 -14.740 -13.658 -12.472 90.027 77.414 65.873 55.704 46.779 38.912 31.925 25.666 20.007 14.845 10.102 5.722 1.668 -2.085 -5.552 -11.681 -12.783 -13.845 -14.868 -15.852 -16.797 -17.703 -18.569 -19.395 -20.181 -20.925 -21.628 -22.287 -22.902 -23.473 -23.997 -24.473 -24.902 -25.281 -25.612 -25.892 90.085 77.945 66.603 56.543 47.694 39.893 32.974 26.792 21.223 16.166 11.539 7.279 3.343 -0.304 -3.686 -9.736 -10.842 -11.917 -12.960 -13.975 -14.961 -15.920 -16.852 -17.758 -18.640 -19.498 -20.333 -21.144 -21.934 -22.701 -23.447 -24.173 -24.877 -25.562 -26.227 -26.872 89.791 78.184 67.072 57.141 48.381 40.651 33.800 27.688 22.199 17.232 12.705 8.552 4.723 1.181 -2.105 -8.000 -9.083 -10.136 -11.163 -12.162 -13.137 -14.088 -15.016 -15.922 -16.809 -17.675 -18.524 -19.355 -20.170 -20.970 -21.755 -22.527 -23.285 -24.032 -24.767 -25.492 89.213 78.185 67.329 57.543 48.881 41.228 34.446 28.403 22.985 18.097 13.657 9.598 5.867 2.422 -0.770 -6.495 -7.547 -8.571 -9.569 -10.542 -11.491 -12.418 -13.323 -14.208 -15.074 -15.923 -16.754 -17.571 -18.372 -19.160 -19.936 -20.700 -21.454 -22.197 -22.932 -23.659 88.402 77.989 67.410 57.782 49.227 41.656 34.944 28.967 23.617 18.801 14.438 10.462 6.818 3.462 0.359 -5.198 -6.219 -7.212 -8.180 -9.123 -10.043 -10.941 -11.819 -12.677 -13.516 -14.338 -15.144 -15.935 -16.712 -17.476 -18.229 -18.970 -19.701 -20.422 -21.136 -21.841 87.397 77.630 67.342 57.882 49.441 41.957 35.318 29.407 24.122 19.371 15.078 11.176 7.611 4.336 1.314 -4.084 -5.074 -6.038 -6.976 -7.889 -8.780 -9.650 -10.499 -11.328 -12.140 -12.935 -13.713 -14.477 -15.227 -15.964 -16.689 -17.403 -18.107 -18.802 -19.489 -20.168 86.229 77.132 67.147 57.864 49.544 42.151 35.586 29.741 24.519 19.830 15.600 11.766 8.271 5.069 2.123 -3.128 -4.089 -5.024 -5.933 -6.819 -7.683 -8.524 -9.346 -10.149 -10.933 -11.701 -12.453 -13.190 -13.913 -14.624 -15.322 -16.010 -16.687 -17.356 -18.015 -18.667 99999.999 76.516 66.843 57.744 49.550 42.251 35.762 29.985 24.823 20.194 16.024 12.251 8.820 5.685 2.806 -2.308 -3.242 -4.150 -5.033 -5.892 -6.729 -7.545 -8.341 -9.119 -9.878 -10.621 -11.347 -12.059 -12.758 -13.443 -14.117 -14.780 -15.432 -16.075 -16.710 -17.337 tourmaline-schorl NaFe3Al6Si6B3O27(OH4) Ssln ID, Coef: 17 3.000 P-T:All Wt.(g/mol) = 1053.379 V(cc/mol) = 330.700 D(g/cc) = 3.185 Ref: Ogor12 7 -25.000 1 -2.000 2 1.000 13 3.000 11 6.000 8 6.000 7 3.000 33 47.860 37.632 28.506 20.488 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.860 37.632 28.506 20.488 13.407 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.866 37.638 28.513 20.495 13.414 7.088 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.877 37.650 28.525 20.506 13.425 7.100 1.368 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.897 37.670 28.545 20.526 13.446 7.121 1.389 -3.883 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.927 37.701 28.576 20.558 13.478 7.153 1.424 -3.846 -8.767 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 47.972 37.749 28.624 20.606 13.525 7.202 1.475 -3.792 -8.708 -13.387 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.037 37.816 28.691 20.673 13.593 7.272 1.547 -3.715 -8.624 -13.293 -17.848 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.124 37.908 28.784 20.765 13.686 7.367 1.647 -3.609 -8.510 -13.165 -17.699 -22.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.239 38.029 28.905 20.887 13.809 7.493 1.778 -3.469 -8.358 -12.996 -17.502 -21.993 -26.500 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.386 38.184 29.062 21.044 13.968 7.656 1.948 -3.289 -8.164 -12.780 -17.250 -21.687 -26.145 -30.363 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.568 38.379 29.259 21.242 14.168 7.861 2.162 -3.062 -7.918 -12.507 -16.933 -21.301 -25.679 -30.001 -32.944 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.704 38.527 29.409 21.392 14.320 8.017 2.324 -2.889 -7.731 -12.300 -16.693 -21.008 -25.317 -29.629 -33.758 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.893 38.732 29.618 21.603 14.533 8.235 2.552 -2.647 -7.470 -12.010 -16.358 -20.600 -24.806 -29.037 -33.626 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.072 38.929 29.820 21.807 14.740 8.448 2.774 -2.412 -7.216 -11.730 -16.035 -20.208 -24.311 -28.422 -33.006 7.687 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.243 39.120 30.016 22.006 14.942 8.655 2.990 -2.183 -6.970 -11.458 -15.723 -19.832 -23.837 -27.813 -32.224 -18.762 -7.114 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.405 39.304 30.206 22.198 15.138 8.856 3.200 -1.961 -6.730 -11.194 -15.422 -19.471 -23.384 -27.226 -31.405 -24.992 -20.702 -13.254 -2.472 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.560 39.481 30.390 22.385 15.328 9.052 3.404 -1.744 -6.497 -10.938 -15.132 -19.126 -22.956 -26.670 -30.604 -27.693 -25.710 -22.299 -17.007 -9.857 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.706 39.651 30.568 22.567 15.513 9.242 3.603 -1.533 -6.271 -10.690 -14.852 -18.797 -22.551 -26.150 -29.851 -29.132 -28.190 -26.462 -23.703 -19.724 -14.602 -8.866 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.846 39.815 30.740 22.743 15.693 9.428 3.797 -1.328 -6.050 -10.449 -14.581 -18.483 -22.171 -25.667 -29.159 -29.966 -29.595 -28.731 -27.237 -24.978 -21.882 -18.029 -13.711 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.977 39.974 30.907 22.914 15.868 9.608 3.985 -1.129 -5.836 -10.215 -14.320 -18.183 -21.814 -25.224 -28.538 -30.460 -30.442 -30.084 -29.307 -28.023 -26.160 -23.695 -20.698 -17.343 -13.879 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.102 40.126 31.069 23.081 16.039 9.784 4.169 -0.934 -5.627 -9.988 -14.068 -17.897 -21.480 -24.818 -27.987 -30.745 -30.961 -30.930 -30.599 -29.912 -28.814 -27.269 -25.274 -22.884 -20.210 -17.400 -14.599 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.220 40.272 31.225 23.242 16.205 9.956 4.348 -0.744 -5.423 -9.766 -13.825 -17.623 -21.167 -24.449 -27.505 -30.893 -31.273 -31.464 -31.431 -31.135 -30.537 -29.603 -28.316 -26.681 -24.741 -22.566 -20.248 -17.876 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.331 40.413 31.377 23.399 16.366 10.122 4.522 -0.559 -5.225 -9.551 -13.589 -17.362 -20.874 -24.113 -27.088 -30.946 -31.447 -31.797 -31.972 -31.945 -31.689 -31.175 -30.385 -29.309 -27.957 -26.358 -24.560 -22.620 -20.593 -18.522 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.435 40.549 31.524 23.552 16.523 10.285 4.693 -0.379 -5.032 -9.342 -13.361 -17.112 -20.598 -23.807 -26.728 -30.932 -31.523 -31.990 -32.317 -32.484 -32.471 -32.256 -31.822 -31.156 -30.255 -29.128 -27.796 -26.289 -24.645 -22.898 -21.075 99999.999 99999.999 99999.999 99999.999 99999.999 50.533 40.679 31.666 23.700 16.676 10.444 4.858 -0.203 -4.843 -9.139 -13.140 -16.872 -20.338 -23.527 -26.418 -30.870 -31.530 -32.086 -32.527 -32.837 -33.002 -33.005 -32.832 -32.471 -31.913 -31.158 -30.213 -29.092 -27.817 -26.409 -24.892 -23.281 -21.588 99999.999 99999.999 99999.999 50.625 40.805 31.803 23.844 16.825 10.598 5.020 -0.032 -4.660 -8.940 -12.925 -16.640 -20.091 -23.268 -26.147 -30.772 -31.485 -32.110 -32.638 -33.057 -33.357 -33.524 -33.547 -33.415 -33.119 -32.655 -32.022 -31.227 -30.277 -29.188 -27.974 -26.648 -25.221 -23.699 99999.999 99999.999 50.711 40.925 31.936 23.983 16.970 10.749 5.178 0.135 -4.480 -8.747 -12.716 -16.416 -19.855 -23.024 -25.904 -30.646 -31.402 -32.082 -32.677 -33.181 -33.584 -33.877 -34.050 -34.093 -34.000 -33.764 -33.381 -32.852 -32.180 -31.372 -30.436 -29.382 -28.219 -26.952 -25.586 -24.121 50.791 41.040 32.065 24.119 17.111 10.895 5.332 0.299 -4.305 -8.558 -12.513 -16.199 -19.626 -22.790 -25.676 -30.501 -31.291 -32.013 -32.662 -33.232 -33.716 -34.107 -34.397 -34.578 -34.643 -34.586 -34.402 -34.090 -33.649 -33.082 -32.392 -31.586 -30.668 -29.645 -28.520 -27.295 51.302 41.955 33.140 25.279 18.332 12.176 6.681 1.733 -2.766 -6.896 -10.717 -14.270 -17.580 -20.661 -23.522 -28.604 -29.521 -30.406 -31.258 -32.077 -32.864 -33.618 -34.339 -35.026 -35.678 -36.295 -36.875 -37.417 -37.920 -38.383 -38.805 -39.185 -39.521 -39.813 -40.059 -40.261 51.365 42.501 33.887 26.135 19.264 13.172 7.744 2.871 -1.540 -5.567 -9.275 -12.709 -15.904 -18.881 -21.656 -26.659 -27.579 -28.474 -29.346 -30.194 -31.021 -31.825 -32.609 -33.374 -34.118 -34.844 -35.551 -36.240 -36.912 -37.566 -38.204 -38.824 -39.428 -40.016 -40.587 -41.143 51.073 42.751 34.371 26.749 19.965 13.944 8.583 3.780 -0.553 -4.493 -8.103 -11.433 -14.521 -17.396 -20.076 -24.926 -25.822 -26.697 -27.550 -28.384 -29.198 -29.995 -30.774 -31.537 -32.285 -33.019 -33.739 -34.447 -35.142 -35.827 -36.501 -37.166 -37.821 -38.468 -39.108 -39.740 50.496 42.762 34.642 27.166 20.480 14.535 9.241 4.505 0.242 -3.620 -7.144 -10.382 -13.375 -16.154 -18.742 -23.423 -24.289 -25.135 -25.961 -26.767 -27.556 -28.329 -29.085 -29.827 -30.555 -31.270 -31.973 -32.665 -33.348 -34.020 -34.685 -35.341 -35.991 -36.635 -37.273 -37.906 49.684 42.575 34.734 27.417 20.838 14.975 9.750 5.080 0.883 -2.909 -6.357 -9.514 -12.421 -15.112 -17.613 -22.130 -22.965 -23.780 -24.575 -25.353 -26.113 -26.857 -27.586 -28.301 -29.002 -29.691 -30.369 -31.036 -31.694 -32.342 -32.983 -33.617 -34.244 -34.866 -35.483 -36.095 48.676 42.223 34.676 27.529 21.064 15.287 10.135 5.529 1.396 -2.331 -5.711 -8.795 -11.625 -14.236 -16.657 -21.018 -21.823 -22.608 -23.374 -24.123 -24.854 -25.570 -26.271 -26.958 -27.632 -28.294 -28.944 -29.584 -30.215 -30.837 -31.451 -32.058 -32.659 -33.254 -33.844 -34.430 47.504 41.731 34.491 27.522 21.178 15.491 10.413 5.873 1.801 -1.865 -5.182 -8.200 -10.961 -13.500 -15.848 -20.063 -20.839 -21.596 -22.335 -23.055 -23.760 -24.448 -25.122 -25.783 -26.430 -27.065 -27.689 -28.303 -28.908 -29.504 -30.091 -30.672 -31.247 -31.815 -32.379 -32.938 99999.999 41.120 34.196 27.412 21.194 15.602 10.599 6.125 2.114 -1.493 -4.752 -7.710 -10.408 -12.882 -15.162 -19.243 -19.993 -20.723 -21.436 -22.131 -22.809 -23.473 -24.121 -24.757 -25.379 -25.989 -26.589 -27.178 -27.758 -28.329 -28.893 -29.449 -29.998 -30.542 -31.081 -31.616 tourmali-foitite-Mg (Mg2Al)Al6Si6B3O27(OH4) P-T:All Wt.(g/mol) = 938.440 V(cc/mol) = 332.000 D(g/cc) = 2.827 Ref: Ogor12 6 -25.000 1 -2.000 2 2.000 10 7.000 8 6.000 7 3.000 33 53.996 42.317 31.941 22.834 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.996 42.317 31.942 22.834 14.792 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.003 42.324 31.948 22.841 14.798 7.615 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.015 42.337 31.961 22.853 14.811 7.628 1.123 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.036 42.358 31.983 22.875 14.833 7.651 1.146 -4.830 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.068 42.392 32.017 22.909 14.867 7.686 1.183 -4.791 -10.358 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.117 42.444 32.068 22.960 14.919 7.739 1.238 -4.732 -10.295 -15.571 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.186 42.516 32.141 23.033 14.992 7.814 1.316 -4.649 -10.205 -15.471 -20.585 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.280 42.615 32.241 23.133 15.093 7.916 1.423 -4.536 -10.082 -15.335 -20.427 -25.486 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.404 42.746 32.373 23.265 15.226 8.053 1.565 -4.385 -9.920 -15.154 -20.218 -25.235 -30.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.562 42.915 32.543 23.435 15.397 8.228 1.748 -4.192 -9.711 -14.923 -19.949 -24.911 -29.858 -34.493 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.760 43.127 32.757 23.650 15.614 8.450 1.979 -3.947 -9.447 -14.630 -19.611 -24.500 -29.367 -34.128 -37.296 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.908 43.287 32.919 23.813 15.779 8.619 2.154 -3.761 -9.246 -14.409 -19.355 -24.190 -28.985 -33.744 -38.224 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.114 43.511 33.147 24.042 16.011 8.856 2.401 -3.500 -8.965 -14.098 -18.998 -23.756 -28.445 -33.124 -38.128 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.310 43.727 33.369 24.265 16.237 9.087 2.642 -3.245 -8.692 -13.797 -18.652 -23.338 -27.920 -32.477 -37.494 6.990 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.498 43.936 33.583 24.482 16.456 9.312 2.876 -2.998 -8.426 -13.505 -18.318 -22.936 -27.416 -31.835 -36.679 -22.107 -9.309 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.678 44.139 33.792 24.693 16.671 9.532 3.104 -2.757 -8.167 -13.221 -17.995 -22.552 -26.936 -31.214 -35.818 -28.961 -24.260 -16.073 -4.157 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 55.850 44.334 33.994 24.899 16.879 9.746 3.327 -2.522 -7.915 -12.945 -17.684 -22.183 -26.479 -30.625 -34.974 -31.945 -29.778 -26.039 -20.217 -12.316 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.014 44.524 34.191 25.099 17.083 9.954 3.544 -2.293 -7.670 -12.677 -17.383 -21.831 -26.049 -30.073 -34.178 -33.544 -32.521 -30.632 -27.604 -23.223 -17.562 -11.183 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.170 44.707 34.382 25.294 17.281 10.158 3.755 -2.069 -7.431 -12.417 -17.092 -21.494 -25.643 -29.561 -33.446 -34.477 -34.083 -33.144 -31.509 -29.028 -25.616 -21.354 -16.554 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.319 44.883 34.568 25.483 17.474 10.356 3.962 -1.851 -7.198 -12.164 -16.811 -21.172 -25.262 -29.090 -32.788 -35.037 -35.031 -34.650 -33.805 -32.399 -30.350 -27.631 -24.312 -20.583 -16.711 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.461 45.054 34.748 25.668 17.663 10.550 4.163 -1.639 -6.970 -11.918 -16.539 -20.865 -24.905 -28.659 -32.204 -35.366 -35.619 -35.597 -35.244 -34.496 -33.293 -31.591 -29.388 -26.741 -23.767 -20.629 -17.484 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.597 45.219 34.923 25.848 17.846 10.739 4.360 -1.431 -6.749 -11.678 -16.276 -20.571 -24.570 -28.265 -31.693 -35.544 -35.979 -36.202 -36.177 -35.860 -35.208 -34.184 -32.765 -30.958 -28.806 -26.387 -23.800 -21.141 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.725 45.379 35.093 26.023 18.026 10.923 4.552 -1.229 -6.532 -11.444 -16.021 -20.290 -24.256 -27.907 -31.251 -35.617 -36.185 -36.584 -36.789 -36.770 -36.495 -35.935 -35.066 -33.879 -32.383 -30.609 -28.609 -26.444 -24.176 -21.852 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.847 45.533 35.259 26.194 18.201 11.104 4.740 -1.031 -6.321 -11.217 -15.774 -20.020 -23.961 -27.581 -30.870 -35.616 -36.283 -36.813 -37.185 -37.380 -37.374 -37.144 -36.669 -35.936 -34.942 -33.693 -32.214 -30.538 -28.704 -26.751 -24.710 99999.999 99999.999 99999.999 99999.999 99999.999 56.963 45.682 35.419 26.360 18.371 11.280 4.923 -0.838 -6.115 -10.995 -15.534 -19.761 -23.681 -27.281 -30.541 -35.561 -36.305 -36.933 -37.431 -37.785 -37.976 -37.987 -37.802 -37.406 -36.792 -35.957 -34.909 -33.664 -32.245 -30.676 -28.981 -27.181 -25.287 99999.999 99999.999 99999.999 57.072 45.826 35.575 26.522 18.538 11.451 5.102 -0.649 -5.914 -10.779 -15.301 -19.511 -23.416 -27.004 -30.253 -35.465 -36.269 -36.974 -37.569 -38.043 -38.383 -38.576 -38.607 -38.466 -38.142 -37.630 -36.929 -36.046 -34.991 -33.779 -32.426 -30.947 -29.354 -27.656 99999.999 99999.999 57.176 45.965 35.727 26.680 18.700 11.619 5.277 -0.464 -5.717 -10.567 -15.074 -19.269 -23.162 -26.743 -29.994 -35.339 -36.191 -36.956 -37.627 -38.194 -38.649 -38.981 -39.178 -39.232 -39.132 -38.873 -38.450 -37.863 -37.117 -36.219 -35.177 -34.004 -32.707 -31.295 -29.773 -28.141 57.273 46.099 35.874 26.833 18.859 11.783 5.448 -0.284 -5.525 -10.361 -14.853 -19.034 -22.915 -26.493 -29.751 -35.190 -36.080 -36.893 -37.624 -38.266 -38.811 -39.251 -39.578 -39.783 -39.859 -39.799 -39.597 -39.252 -38.762 -38.132 -37.365 -36.467 -35.445 -34.306 -33.054 -31.691 57.961 47.199 37.132 28.171 20.254 13.234 6.965 1.318 -3.818 -8.529 -12.885 -16.931 -20.695 -24.194 -27.439 -33.190 -34.225 -35.223 -36.183 -37.106 -37.992 -38.839 -39.648 -40.419 -41.149 -41.838 -42.486 -43.091 -43.651 -44.166 -44.635 -45.055 -45.426 -45.747 -46.018 -46.239 58.202 47.929 38.059 29.203 21.355 14.395 8.189 2.615 -2.432 -7.041 -11.281 -15.207 -18.854 -22.249 -25.411 -31.097 -32.141 -33.155 -34.142 -35.102 -36.036 -36.945 -37.829 -38.689 -39.527 -40.343 -41.136 -41.909 -42.660 -43.391 -44.102 -44.793 -45.464 -46.117 -46.750 -47.365 58.090 48.363 38.723 29.990 22.223 15.329 9.185 3.678 -1.293 -5.814 -9.957 -13.777 -17.317 -20.608 -23.675 -29.212 -30.234 -31.229 -32.200 -33.148 -34.073 -34.976 -35.860 -36.724 -37.569 -38.398 -39.211 -40.007 -40.790 -41.559 -42.315 -43.059 -43.792 -44.514 -45.226 -45.930 57.693 48.556 39.170 30.576 22.902 16.078 9.998 4.554 -0.350 -4.795 -8.852 -12.580 -16.023 -19.218 -22.192 -27.561 -28.553 -29.520 -30.464 -31.385 -32.286 -33.166 -34.028 -34.872 -35.700 -36.512 -37.309 -38.093 -38.864 -39.623 -40.372 -41.111 -41.842 -42.564 -43.279 -43.987 57.062 48.551 39.438 30.997 23.422 16.674 10.658 5.276 0.435 -3.942 -7.924 -11.571 -14.928 -18.035 -20.921 -26.125 -27.085 -28.022 -28.936 -29.828 -30.700 -31.553 -32.388 -33.205 -34.006 -34.793 -35.565 -36.324 -37.072 -37.808 -38.535 -39.252 -39.960 -40.662 -41.356 -42.045 56.237 48.381 39.556 31.276 23.809 17.141 11.191 5.870 1.089 -3.226 -7.142 -10.716 -13.997 -17.024 -19.830 -24.876 -25.806 -26.713 -27.598 -28.461 -29.305 -30.129 -30.935 -31.725 -32.499 -33.258 -34.003 -34.736 -35.456 -36.166 -36.866 -37.556 -38.238 -38.913 -39.581 -40.243 55.248 48.070 39.545 31.435 24.082 17.497 11.616 6.355 1.633 -2.624 -6.480 -9.990 -13.203 -16.158 -18.890 -23.790 -24.692 -25.570 -26.427 -27.263 -28.078 -28.876 -29.655 -30.418 -31.165 -31.897 -32.616 -33.322 -34.016 -34.700 -35.373 -36.037 -36.693 -37.341 -37.982 -38.617 99999.999 47.641 39.423 31.490 24.255 17.759 11.948 6.747 2.082 -2.120 -5.920 -9.372 -12.523 -15.414 -18.079 -22.844 -23.719 -24.572 -25.402 -26.212 -27.002 -27.773 -28.527 -29.265 -29.987 -30.694 -31.388 -32.069 -32.739 -33.398 -34.046 -34.685 -35.316 -35.939 -36.556 -37.166 tourmaline-uvite CaMg3(Al5Mg)Si6B3O27(OH4) P-T:All Wt.(g/mol) = 973.165 V(cc/mol) = 334.200 D(g/cc) = 2.912 Ref: Ogor12 7 -25.000 1 -2.000 2 1.000 9 4.000 10 5.000 8 6.000 7 3.000 33 98.637 84.462 72.029 61.204 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.637 84.462 72.029 61.204 51.713 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.643 84.468 72.036 61.210 51.719 43.305 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.654 84.480 72.047 61.222 51.731 43.317 35.760 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.673 84.500 72.067 61.241 51.751 43.338 35.782 28.903 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.704 84.531 72.098 61.272 51.782 43.370 35.815 28.939 22.596 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.749 84.577 72.145 61.319 51.829 43.418 35.865 28.993 22.654 16.708 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.813 84.644 72.211 61.385 51.896 43.486 35.937 29.069 22.736 16.801 11.111 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 98.899 84.734 72.301 61.475 51.987 43.580 36.034 29.173 22.849 16.927 11.258 5.704 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.014 84.853 72.421 61.595 52.107 43.703 36.164 29.310 22.999 17.094 11.453 5.940 0.506 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.159 85.006 72.575 61.749 52.263 43.862 36.330 29.488 23.191 17.308 11.703 6.244 0.861 -4.210 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.340 85.198 72.768 61.943 52.459 44.064 36.540 29.711 23.433 17.577 12.017 6.628 1.325 -3.844 -7.602 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.476 85.343 72.915 62.090 52.608 44.216 36.700 29.881 23.617 17.782 12.254 6.918 1.686 -3.471 -8.391 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.664 85.545 73.120 62.296 52.817 44.431 36.924 30.119 23.874 18.068 12.586 7.323 2.194 -2.878 -8.244 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99.842 85.740 73.319 62.497 53.020 44.640 37.142 30.350 24.124 18.345 12.905 7.712 2.687 -2.264 -7.618 30.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.012 85.928 73.511 62.691 53.217 44.842 37.354 30.575 24.367 18.613 13.214 8.086 3.159 -1.657 -6.835 5.021 16.206 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.175 86.109 73.697 62.880 53.409 45.040 37.560 30.794 24.603 18.873 13.512 8.443 3.608 -1.072 -6.016 -1.102 2.859 9.924 20.244 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.329 86.283 73.878 63.063 53.596 45.232 37.760 31.007 24.833 19.126 13.799 8.785 4.034 -0.518 -5.216 -3.753 -2.060 1.042 5.996 12.768 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.475 86.451 74.053 63.241 53.778 45.419 37.956 31.214 25.056 19.371 14.076 9.112 4.436 0.001 -4.464 -5.163 -4.493 -3.044 -0.575 3.096 7.886 13.270 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.614 86.613 74.222 63.414 53.954 45.601 38.146 31.416 25.273 19.609 14.343 9.423 4.814 0.481 -3.775 -5.977 -5.869 -5.269 -4.042 -2.058 0.753 4.307 8.313 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.746 86.769 74.386 63.582 54.126 45.778 38.331 31.612 25.484 19.840 14.602 9.720 5.168 0.922 -3.155 -6.457 -6.696 -6.594 -6.071 -5.043 -3.441 -1.243 1.480 4.552 7.728 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.871 86.920 74.545 63.745 54.293 45.950 38.511 31.804 25.690 20.064 14.851 10.004 5.500 1.325 -2.606 -6.732 -7.201 -7.419 -7.334 -6.893 -6.041 -4.743 -3.000 -0.867 1.547 4.094 6.631 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 100.989 87.064 74.698 63.904 54.456 46.118 38.687 31.990 25.890 20.282 15.092 10.274 5.810 1.693 -2.125 -6.872 -7.503 -7.939 -8.146 -8.088 -7.727 -7.029 -5.978 -4.582 -2.882 -0.950 1.124 3.253 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 101.101 87.203 74.847 64.058 54.614 46.282 38.859 32.172 26.086 20.494 15.324 10.533 6.101 2.027 -1.710 -6.920 -7.668 -8.260 -8.672 -8.878 -8.852 -8.566 -8.003 -7.153 -6.027 -4.656 -3.086 -1.373 0.426 2.271 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 101.206 87.337 74.992 64.207 54.768 46.442 39.026 32.349 26.276 20.700 15.550 10.781 6.374 2.331 -1.352 -6.902 -7.738 -8.445 -9.006 -9.402 -9.614 -9.621 -9.406 -8.958 -8.274 -7.363 -6.246 -4.955 -3.525 -1.991 -0.380 99999.999 99999.999 99999.999 99999.999 99999.999 101.305 87.466 75.131 64.353 54.918 46.597 39.188 32.522 26.462 20.901 15.768 11.018 6.632 2.609 -1.043 -6.836 -7.740 -8.534 -9.206 -9.743 -10.130 -10.351 -10.392 -10.242 -9.894 -9.347 -8.608 -7.692 -6.620 -5.416 -4.099 -2.688 -1.192 99999.999 99999.999 99999.999 101.398 87.590 75.266 64.494 55.064 46.749 39.347 32.691 26.643 21.097 15.980 11.247 6.877 2.867 -0.773 -6.735 -7.691 -8.553 -9.310 -9.954 -10.473 -10.854 -11.088 -11.163 -11.071 -10.808 -10.375 -9.776 -9.022 -8.127 -7.105 -5.969 -4.730 -3.395 99999.999 99999.999 101.485 87.709 75.397 64.631 55.206 46.896 39.502 32.855 26.819 21.288 16.187 11.469 7.111 3.109 -0.531 -6.607 -7.606 -8.520 -9.344 -10.070 -10.690 -11.195 -11.575 -11.822 -11.929 -11.889 -11.700 -11.362 -10.879 -10.258 -9.507 -8.636 -7.653 -6.565 -5.375 -4.085 101.566 87.823 75.524 64.764 55.344 47.040 39.653 33.016 26.991 21.474 16.388 11.684 7.338 3.341 -0.303 -6.460 -7.492 -8.448 -9.325 -10.116 -10.815 -11.416 -11.910 -12.291 -12.553 -12.689 -12.695 -12.570 -12.312 -11.926 -11.415 -10.785 -10.042 -9.190 -8.235 -7.178 102.092 88.729 76.581 65.902 56.542 48.296 40.978 34.426 28.507 23.113 18.161 13.592 9.365 5.453 1.838 -4.563 -5.717 -6.830 -7.904 -8.938 -9.932 -10.887 -11.803 -12.679 -13.514 -14.308 -15.061 -15.771 -16.437 -17.059 -17.635 -18.165 -18.647 -19.081 -19.467 -19.804 102.179 89.274 77.317 66.743 57.456 49.274 42.021 35.545 29.714 24.422 19.585 15.135 11.024 7.218 3.689 -2.625 -3.781 -4.903 -5.994 -7.055 -8.087 -9.090 -10.066 -11.016 -11.940 -12.840 -13.715 -14.568 -15.398 -16.205 -16.991 -17.755 -18.499 -19.222 -19.925 -20.608 101.917 89.530 77.796 67.347 58.144 50.032 42.845 36.438 30.684 25.481 20.741 16.396 12.392 8.689 5.257 -0.902 -2.033 -3.134 -4.206 -5.251 -6.269 -7.263 -8.233 -9.180 -10.107 -11.013 -11.900 -12.769 -13.621 -14.457 -15.277 -16.084 -16.876 -17.656 -18.424 -19.181 101.374 89.550 78.065 67.757 58.649 50.611 43.492 37.150 31.468 26.342 21.687 17.434 13.526 9.920 6.580 0.591 -0.509 -1.581 -2.625 -3.642 -4.635 -5.603 -6.550 -7.475 -8.381 -9.268 -10.137 -10.989 -11.827 -12.650 -13.460 -14.257 -15.043 -15.818 -16.584 -17.341 100.601 89.376 78.160 68.005 59.001 51.043 43.992 37.716 32.099 27.043 22.464 18.292 14.470 10.952 7.699 1.876 0.807 -0.234 -1.247 -2.235 -3.198 -4.139 -5.057 -5.955 -6.834 -7.694 -8.537 -9.364 -10.177 -10.975 -11.761 -12.535 -13.297 -14.050 -14.794 -15.529 99.636 89.041 78.108 68.117 59.224 51.351 44.370 38.158 32.604 27.612 23.102 19.003 15.258 11.819 8.647 2.980 1.942 0.931 -0.053 -1.012 -1.946 -2.858 -3.748 -4.618 -5.469 -6.302 -7.118 -7.918 -8.703 -9.474 -10.233 -10.980 -11.715 -12.441 -13.158 -13.866 98.510 88.568 77.931 68.112 59.337 51.552 44.643 38.496 33.003 28.072 23.624 19.591 15.915 12.548 9.449 3.929 2.919 1.936 0.980 0.049 -0.858 -1.743 -2.606 -3.449 -4.273 -5.079 -5.868 -6.642 -7.400 -8.145 -8.878 -9.598 -10.307 -11.006 -11.696 -12.378 99999.999 87.979 77.646 68.006 59.354 51.660 44.827 38.744 33.311 28.439 24.049 20.076 16.463 13.161 10.129 4.743 3.759 2.803 1.873 0.968 0.087 -0.772 -1.610 -2.428 -3.227 -4.008 -4.772 -5.521 -6.255 -6.975 -7.683 -8.379 -9.063 -9.738 -10.403 -11.059 tourmaline-elbaite Na(Li1.5Al1.5)Al6Si6B3O27(OH)4 P-T:All Wt.(g/mol) = 936.717 V(cc/mol) = 325.000 D(g/cc) = 2.882 Ref: Ogor12 7 -25.000 1 -2.000 2 1.500 66 1.000 13 7.500 8 6.000 7 3.000 33 58.069 46.812 36.827 28.082 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.069 46.812 36.828 28.082 20.379 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.075 46.818 36.834 28.089 20.385 13.521 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.086 46.830 36.845 28.100 20.397 13.534 7.332 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.104 46.849 36.865 28.120 20.417 13.554 7.353 1.668 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.134 46.881 36.897 28.152 20.449 13.587 7.388 1.704 -3.583 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.178 46.927 36.944 28.199 20.497 13.636 7.439 1.759 -3.524 -8.530 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.240 46.994 37.011 28.266 20.565 13.706 7.512 1.837 -3.439 -8.435 -13.285 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.325 47.084 37.102 28.358 20.658 13.802 7.612 1.944 -3.323 -8.306 -13.135 -17.933 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.436 47.203 37.223 28.480 20.781 13.928 7.745 2.085 -3.170 -8.135 -12.936 -17.693 -22.433 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.577 47.356 37.379 28.636 20.939 14.091 7.915 2.266 -2.974 -7.916 -12.680 -17.383 -22.076 -26.473 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.753 47.548 37.574 28.833 21.140 14.297 8.130 2.495 -2.725 -7.640 -12.359 -16.991 -21.606 -26.123 -29.106 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 58.885 47.693 37.722 28.983 21.292 14.453 8.294 2.669 -2.537 -7.430 -12.116 -16.695 -21.240 -25.753 -30.006 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 59.066 47.894 37.930 29.193 21.505 14.672 8.523 2.913 -2.273 -7.137 -11.776 -16.281 -20.722 -25.157 -29.915 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 59.239 48.089 38.130 29.397 21.712 14.886 8.746 3.151 -2.017 -6.853 -11.449 -15.883 -20.219 -24.536 -29.303 13.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 59.403 48.276 38.325 29.594 21.914 15.093 8.963 3.381 -1.767 -6.578 -11.133 -15.500 -19.737 -23.918 -28.517 -14.216 -1.783 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 59.558 48.456 38.513 29.786 22.110 15.295 9.175 3.606 -1.525 -6.311 -10.827 -15.134 -19.277 -23.322 -27.687 -20.859 -16.271 -8.307 3.273 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 59.706 48.630 38.695 29.973 22.300 15.492 9.380 3.824 -1.290 -6.052 -10.533 -14.784 -18.841 -22.756 -26.873 -23.752 -21.620 -17.964 -12.291 -4.603 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 59.846 48.797 38.871 30.154 22.486 15.683 9.581 4.037 -1.061 -5.801 -10.249 -14.449 -18.430 -22.227 -26.106 -25.305 -24.280 -22.416 -19.450 -15.173 -9.657 -3.445 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 59.978 48.959 39.042 30.330 22.666 15.870 9.776 4.244 -0.838 -5.556 -9.974 -14.130 -18.044 -21.737 -25.402 -26.213 -25.796 -24.853 -23.236 -20.800 -17.463 -13.303 -8.621 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.104 49.114 39.208 30.500 22.841 16.051 9.966 4.446 -0.621 -5.319 -9.709 -13.826 -17.681 -21.286 -24.769 -26.759 -26.718 -26.315 -25.463 -24.068 -22.051 -19.386 -16.140 -12.496 -8.714 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.222 49.263 39.368 30.666 23.012 16.228 10.151 4.643 -0.409 -5.089 -9.454 -13.535 -17.342 -20.874 -24.209 -27.083 -27.292 -27.236 -26.860 -26.103 -24.905 -23.225 -21.060 -18.464 -15.554 -12.483 -9.406 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.333 49.406 39.523 30.828 23.178 16.400 10.331 4.834 -0.203 -4.865 -9.206 -13.257 -17.024 -20.499 -23.719 -27.259 -27.645 -27.826 -27.768 -27.427 -26.763 -25.739 -24.333 -22.552 -20.438 -18.065 -15.528 -12.923 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.437 49.544 39.674 30.984 23.340 16.568 10.507 5.021 -0.002 -4.647 -8.967 -12.992 -16.726 -20.158 -23.296 -27.335 -27.848 -28.200 -28.364 -28.312 -28.013 -27.438 -26.565 -25.384 -23.905 -22.157 -20.190 -18.064 -15.837 -13.556 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.535 49.677 39.819 31.136 23.498 16.731 10.679 5.203 0.193 -4.435 -8.736 -12.738 -16.446 -19.848 -22.932 -27.338 -27.948 -28.426 -28.752 -28.907 -28.867 -28.612 -28.121 -27.380 -26.386 -25.147 -23.684 -22.032 -20.227 -18.307 -16.300 99999.999 99999.999 99999.999 99999.999 99999.999 60.627 49.805 39.960 31.284 23.651 16.891 10.846 5.381 0.384 -4.228 -8.511 -12.494 -16.183 -19.564 -22.619 -27.290 -27.974 -28.546 -28.994 -29.303 -29.454 -29.432 -29.221 -28.806 -28.181 -27.342 -26.298 -25.063 -23.659 -22.111 -20.442 -18.670 -16.807 99999.999 99999.999 99999.999 60.712 49.927 40.096 31.428 23.800 17.046 11.009 5.554 0.570 -4.027 -8.293 -12.260 -15.932 -19.302 -22.346 -27.202 -27.944 -28.591 -29.132 -29.557 -29.852 -30.006 -30.004 -29.836 -29.491 -28.965 -28.257 -27.373 -26.322 -25.120 -23.782 -22.321 -20.751 -19.078 99999.999 99999.999 60.792 50.044 40.228 31.567 23.945 17.198 11.168 5.723 0.752 -3.830 -8.081 -12.032 -15.693 -19.056 -22.102 -27.085 -27.873 -28.578 -29.192 -29.707 -30.114 -30.402 -30.561 -30.581 -30.454 -30.172 -29.733 -29.135 -28.384 -27.486 -26.450 -25.285 -24.002 -22.608 -21.106 -19.499 60.866 50.157 40.356 31.703 24.087 17.345 11.324 5.889 0.929 -3.639 -7.875 -11.811 -15.461 -18.819 -21.872 -26.946 -27.770 -28.522 -29.194 -29.781 -30.274 -30.667 -30.952 -31.119 -31.161 -31.072 -30.847 -30.483 -29.980 -29.341 -28.571 -27.674 -26.658 -25.527 -24.288 -22.942 61.314 51.045 41.420 32.862 25.313 18.636 12.687 7.342 2.491 -1.950 -6.049 -9.849 -13.381 -16.659 -19.694 -25.061 -26.026 -26.954 -27.847 -28.705 -29.527 -30.312 -31.062 -31.774 -32.448 -33.084 -33.680 -34.235 -34.748 -35.217 -35.642 -36.021 -36.353 -36.637 -36.874 -37.061 61.318 51.567 42.159 33.719 26.252 19.644 13.765 8.498 3.740 -0.596 -4.578 -8.257 -11.671 -14.844 -17.795 -23.092 -24.063 -25.006 -25.923 -26.815 -27.682 -28.526 -29.347 -30.145 -30.923 -31.679 -32.415 -33.131 -33.827 -34.504 -35.163 -35.803 -36.425 -37.029 -37.615 -38.184 60.969 51.796 42.638 34.336 26.962 20.428 14.619 9.425 4.747 0.502 -3.379 -6.951 -10.257 -13.325 -16.180 -21.325 -22.274 -23.198 -24.098 -24.977 -25.834 -26.672 -27.490 -28.291 -29.075 -29.843 -30.596 -31.335 -32.060 -32.773 -33.474 -34.164 -34.844 -35.515 -36.177 -36.830 60.335 51.786 42.903 34.756 27.485 21.031 15.293 10.168 5.563 1.398 -2.395 -5.873 -9.080 -12.051 -14.812 -19.788 -20.706 -21.601 -22.474 -23.326 -24.159 -24.973 -25.770 -26.550 -27.315 -28.065 -28.803 -29.528 -30.241 -30.944 -31.637 -32.322 -32.999 -33.668 -34.331 -34.989 59.468 51.579 42.991 35.012 27.853 21.485 15.819 10.762 6.225 2.132 -1.584 -4.978 -8.097 -10.978 -13.651 -18.460 -19.346 -20.210 -21.053 -21.876 -22.680 -23.466 -24.235 -24.989 -25.727 -26.452 -27.164 -27.865 -28.554 -29.234 -29.904 -30.566 -31.221 -31.870 -32.512 -33.150 58.407 51.209 42.931 35.129 28.090 21.811 16.220 11.230 6.758 2.732 -0.914 -4.233 -7.274 -10.074 -12.664 -17.314 -18.170 -19.004 -19.818 -20.611 -21.386 -22.144 -22.885 -23.610 -24.321 -25.019 -25.704 -26.377 -27.039 -27.692 -28.336 -28.972 -29.600 -30.222 -30.838 -31.449 57.182 50.700 42.744 35.128 28.215 22.030 16.515 11.592 7.184 3.220 -0.362 -3.614 -6.583 -9.310 -11.825 -16.327 -17.154 -17.960 -18.745 -19.511 -20.258 -20.988 -21.702 -22.400 -23.084 -23.755 -24.413 -25.060 -25.696 -26.322 -26.940 -27.549 -28.151 -28.746 -29.336 -29.920 99999.999 50.073 42.447 35.025 28.242 22.155 16.718 11.863 7.517 3.613 0.091 -3.100 -6.005 -8.665 -11.112 -15.477 -16.277 -17.056 -17.814 -18.554 -19.275 -19.979 -20.667 -21.340 -21.999 -22.645 -23.278 -23.900 -24.511 -25.112 -25.705 -26.289 -26.866 -27.437 -28.001 -28.560 tourma-liddicoatite Ca(Li2Al)Al6Si6B3O27(OH)4 P-T:All Wt.(g/mol) = 0.000 V(cc/mol) = 322.200 D(g/cc) = 0.000 Ref: Ogor12 7 -25.000 1 -2.000 2 2.000 66 1.000 9 7.000 8 6.000 7 3.000 33 65.026 53.426 43.159 34.174 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.026 53.426 43.159 34.174 26.261 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.031 53.432 43.166 34.180 26.268 19.220 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.042 53.443 43.177 34.191 26.279 19.232 12.867 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.060 53.462 43.196 34.211 26.299 19.252 12.888 7.057 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.088 53.493 43.227 34.242 26.330 19.284 12.922 7.093 1.674 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.131 53.538 43.273 34.288 26.377 19.332 12.972 7.146 1.732 -3.392 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.191 53.602 43.338 34.353 26.443 19.401 13.044 7.223 1.816 -3.299 -8.256 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.273 53.690 43.427 34.443 26.534 19.494 13.142 7.327 1.929 -3.172 -8.108 -13.004 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.380 53.806 43.545 34.561 26.654 19.618 13.271 7.466 2.079 -3.004 -7.912 -12.767 -17.602 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.517 53.954 43.696 34.714 26.809 19.777 13.438 7.643 2.273 -2.788 -7.660 -12.461 -17.248 -21.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.686 54.140 43.886 34.906 27.004 19.978 13.648 7.868 2.516 -2.517 -7.344 -12.075 -16.782 -21.395 -24.535 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.813 54.281 44.030 35.052 27.152 20.131 13.808 8.039 2.701 -2.311 -7.104 -11.782 -16.420 -21.026 -25.395 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.987 54.476 44.231 35.256 27.360 20.345 14.033 8.278 2.960 -2.023 -6.770 -11.374 -15.907 -20.433 -25.286 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.153 54.664 44.426 35.454 27.562 20.553 14.251 8.510 3.212 -1.744 -6.448 -10.981 -15.411 -19.817 -24.671 17.092 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.310 54.845 44.615 35.647 27.759 20.756 14.464 8.736 3.456 -1.474 -6.137 -10.604 -14.934 -19.205 -23.888 -10.283 1.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.459 55.020 44.797 35.833 27.950 20.953 14.670 8.956 3.693 -1.211 -5.836 -10.243 -14.481 -18.615 -23.064 -16.732 -12.340 -4.674 6.476 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.600 55.187 44.974 36.014 28.135 21.145 14.871 9.170 3.924 -0.957 -5.547 -9.898 -14.050 -18.056 -22.258 -19.536 -17.529 -14.043 -8.602 -1.220 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.734 55.349 45.145 36.190 28.316 21.331 15.067 9.378 4.149 -0.710 -5.267 -9.569 -13.645 -17.533 -21.499 -21.037 -20.105 -18.360 -15.543 -11.458 -6.179 -0.241 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.860 55.504 45.311 36.361 28.491 21.513 15.257 9.580 4.367 -0.471 -4.998 -9.255 -13.264 -17.049 -20.803 -21.911 -21.571 -20.718 -19.211 -16.910 -13.736 -9.770 -5.308 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.979 55.653 45.471 36.527 28.662 21.690 15.443 9.778 4.580 -0.238 -4.737 -8.955 -12.906 -16.603 -20.176 -22.434 -22.459 -22.131 -21.366 -20.074 -18.179 -15.656 -12.575 -9.113 -5.527 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 67.090 55.797 45.626 36.688 28.828 21.862 15.623 9.970 4.787 -0.012 -4.486 -8.669 -12.571 -16.196 -19.622 -22.741 -23.008 -23.017 -22.714 -22.040 -20.939 -19.370 -17.332 -14.880 -12.126 -9.222 -6.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 67.195 55.935 45.776 36.844 28.989 22.030 15.799 10.157 4.989 0.208 -4.243 -8.396 -12.258 -15.826 -19.138 -22.906 -23.343 -23.583 -23.588 -23.318 -22.734 -21.800 -20.497 -18.830 -16.842 -14.606 -12.216 -9.762 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 67.294 56.067 45.921 36.996 29.146 22.193 15.971 10.340 5.185 0.422 -4.008 -8.135 -11.965 -15.490 -18.719 -22.972 -23.534 -23.938 -24.159 -24.169 -23.939 -23.440 -22.653 -21.567 -20.191 -18.557 -16.712 -14.715 -12.623 -10.480 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 67.386 56.194 46.061 37.143 29.299 22.352 16.138 10.517 5.377 0.630 -3.781 -7.885 -11.689 -15.183 -18.359 -22.969 -23.624 -24.150 -24.528 -24.739 -24.760 -24.571 -24.153 -23.493 -22.586 -21.443 -20.084 -18.541 -16.852 -15.053 -13.171 99999.999 99999.999 99999.999 99999.999 99999.999 67.471 56.316 46.197 37.286 29.448 22.507 16.301 10.691 5.563 0.832 -3.561 -7.645 -11.429 -14.903 -18.049 -22.915 -23.642 -24.260 -24.756 -25.115 -25.322 -25.359 -25.212 -24.867 -24.317 -23.561 -22.605 -21.465 -20.161 -18.718 -17.159 -15.500 -13.753 99999.999 99999.999 99999.999 67.551 56.433 46.328 37.425 29.593 22.658 16.460 10.860 5.745 1.029 -3.347 -7.414 -11.183 -14.645 -17.779 -22.824 -23.607 -24.296 -24.883 -25.355 -25.701 -25.908 -25.964 -25.857 -25.579 -25.125 -24.494 -23.692 -22.729 -21.619 -20.376 -19.016 -17.549 -15.983 99999.999 99999.999 67.625 56.545 46.455 37.560 29.734 22.805 16.615 11.025 5.923 1.221 -3.139 -7.191 -10.947 -14.402 -17.537 -22.705 -23.532 -24.277 -24.934 -25.494 -25.947 -26.285 -26.496 -26.572 -26.504 -26.286 -25.915 -25.390 -24.716 -23.898 -22.947 -21.872 -20.681 -19.381 -17.978 -16.471 67.693 56.653 46.578 37.691 29.871 22.949 16.766 11.186 6.096 1.409 -2.936 -6.974 -10.719 -14.168 -17.310 -22.564 -23.426 -24.217 -24.929 -25.558 -26.095 -26.534 -26.867 -27.085 -27.181 -27.150 -26.986 -26.687 -26.253 -25.686 -24.991 -24.173 -23.239 -22.194 -21.042 -19.786 68.086 57.491 47.596 38.806 31.056 24.200 18.092 12.602 7.621 3.060 -1.147 -5.049 -8.674 -12.041 -15.160 -20.688 -21.684 -22.644 -23.568 -24.457 -25.310 -26.127 -26.908 -27.652 -28.359 -29.028 -29.657 -30.245 -30.792 -31.296 -31.756 -32.171 -32.540 -32.862 -33.137 -33.364 68.039 57.966 48.292 39.624 31.957 25.172 19.134 13.724 8.835 4.381 0.290 -3.490 -6.997 -10.258 -13.292 -18.743 -19.743 -20.715 -21.661 -22.581 -23.476 -24.348 -25.196 -26.022 -26.826 -27.609 -28.372 -29.115 -29.838 -30.541 -31.226 -31.892 -32.540 -33.170 -33.783 -34.378 67.642 58.152 48.731 40.203 32.632 25.923 19.956 14.619 9.812 5.449 1.458 -2.215 -5.613 -8.769 -11.706 -17.003 -17.980 -18.932 -19.860 -20.766 -21.650 -22.514 -23.359 -24.185 -24.994 -25.787 -26.564 -27.327 -28.076 -28.813 -29.537 -30.251 -30.953 -31.646 -32.330 -33.006 66.964 58.103 48.960 40.589 33.122 26.495 20.601 15.334 10.600 6.317 2.415 -1.164 -4.465 -7.523 -10.366 -15.492 -16.438 -17.361 -18.261 -19.140 -19.999 -20.839 -21.661 -22.466 -23.256 -24.030 -24.791 -25.539 -26.275 -27.001 -27.716 -28.422 -29.120 -29.811 -30.495 -31.173 66.055 57.858 49.013 40.812 33.460 26.919 21.098 15.900 11.235 7.024 3.200 -0.294 -3.507 -6.476 -9.230 -14.189 -15.104 -15.996 -16.866 -17.715 -18.545 -19.357 -20.151 -20.929 -21.691 -22.440 -23.175 -23.898 -24.610 -25.312 -26.004 -26.687 -27.363 -28.032 -28.694 -29.352 64.954 57.452 48.920 40.899 33.668 27.218 21.473 16.343 11.744 7.600 3.846 0.426 -2.708 -5.595 -8.268 -13.068 -13.952 -14.814 -15.654 -16.474 -17.275 -18.058 -18.824 -19.573 -20.308 -21.029 -21.737 -22.433 -23.118 -23.792 -24.458 -25.114 -25.763 -26.405 -27.041 -27.672 63.691 56.909 48.701 40.869 33.765 27.410 21.742 16.681 12.146 8.065 4.376 1.023 -2.040 -4.854 -7.451 -12.103 -12.958 -13.792 -14.604 -15.396 -16.169 -16.924 -17.663 -18.385 -19.093 -19.788 -20.469 -21.138 -21.797 -22.445 -23.083 -23.713 -24.336 -24.951 -25.561 -26.164 99999.999 56.249 48.375 40.737 33.766 27.510 21.922 16.929 12.456 8.436 4.807 1.516 -1.482 -4.229 -6.759 -11.274 -12.102 -12.908 -13.694 -14.460 -15.207 -15.937 -16.649 -17.347 -18.030 -18.699 -19.355 -19.999 -20.633 -21.256 -21.870 -22.475 -23.073 -23.663 -24.247 -24.826 vysotskite PdS P-T:All Wt.(g/mol) = 138.460 V(cc/mol) = 20.980 D(g/cc) = 6.600 Ref: RG97 3 -1.000 1 1.000 39 1.000 6 -48.475 -44.712 -41.588 -38.957 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -48.475 -44.712 -41.588 -38.957 -36.719 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -48.475 -44.711 -41.588 -38.957 -36.719 -34.803 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -48.474 -44.711 -41.587 -38.956 -36.718 -34.802 -33.156 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -48.472 -44.709 -41.585 -38.954 -36.717 -34.801 -33.155 -31.739 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -48.469 -44.707 -41.583 -38.952 -36.714 -34.798 -33.152 -31.735 -30.520 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -48.465 -44.703 -41.580 -38.949 -36.711 -34.795 -33.148 -31.731 -30.514 -29.479 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -48.458 -44.698 -41.575 -38.944 -36.706 -34.789 -33.142 -31.724 -30.506 -29.469 -28.605 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -48.450 -44.691 -41.568 -38.938 -36.699 -34.782 -33.133 -31.714 -30.495 -29.455 -28.587 -27.892 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -48.439 -44.681 -41.560 -38.929 -36.690 -34.772 -33.123 -31.702 -30.480 -29.437 -28.564 -27.859 -27.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -48.425 -44.669 -41.549 -38.918 -36.679 -34.760 -33.109 -31.686 -30.461 -29.414 -28.533 -27.818 -27.275 -26.922 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -48.406 -44.654 -41.534 -38.904 -36.664 -34.744 -33.091 -31.666 -30.437 -29.385 -28.496 -27.767 -27.202 -26.822 -26.668 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -48.393 -44.642 -41.523 -38.893 -36.653 -34.732 -33.078 -31.650 -30.419 -29.363 -28.468 -27.729 -27.148 -26.745 -26.600 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -48.373 -44.626 -41.508 -38.878 -36.637 -34.715 -33.059 -31.629 -30.394 -29.332 -28.429 -27.676 -27.074 -26.638 -26.457 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -48.354 -44.610 -41.493 -38.863 -36.622 -34.698 -33.040 -31.608 -30.369 -29.302 -28.391 -27.626 -27.005 -26.537 -26.305 -23.298 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -48.336 -44.594 -41.478 -38.848 -36.607 -34.682 -33.022 -31.587 -30.345 -29.274 -28.355 -27.579 -26.939 -26.443 -26.158 -24.330 -23.711 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -48.318 -44.579 -41.464 -38.834 -36.592 -34.666 -33.005 -31.567 -30.322 -29.246 -28.321 -27.534 -26.878 -26.356 -26.020 -24.532 -24.199 -23.773 -23.326 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -48.301 -44.564 -41.450 -38.820 -36.577 -34.651 -32.988 -31.548 -30.300 -29.219 -28.288 -27.492 -26.821 -26.275 -25.894 -24.581 -24.339 -24.057 -23.732 -23.403 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -48.284 -44.549 -41.436 -38.806 -36.563 -34.635 -32.971 -31.528 -30.278 -29.193 -28.256 -27.451 -26.767 -26.200 -25.779 -24.579 -24.375 -24.155 -23.912 -23.650 -23.392 -23.187 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -48.268 -44.535 -41.422 -38.793 -36.549 -34.621 -32.954 -31.510 -30.256 -29.168 -28.226 -27.413 -26.717 -26.132 -25.676 -24.555 -24.371 -24.180 -23.979 -23.767 -23.547 -23.335 -23.156 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -48.252 -44.521 -41.409 -38.779 -36.535 -34.606 -32.938 -31.492 -30.235 -29.144 -28.196 -27.377 -26.671 -26.070 -25.583 -24.521 -24.347 -24.172 -23.993 -23.810 -23.622 -23.432 -23.251 -23.093 -22.973 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -48.236 -44.508 -41.396 -38.766 -36.522 -34.591 -32.922 -31.474 -30.215 -29.120 -28.168 -27.342 -26.627 -26.013 -25.502 -24.481 -24.312 -24.146 -23.981 -23.814 -23.647 -23.477 -23.310 -23.151 -23.009 -22.890 -22.801 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -48.221 -44.494 -41.383 -38.754 -36.509 -34.577 -32.907 -31.457 -30.195 -29.097 -28.141 -27.309 -26.586 -25.961 -25.430 -24.439 -24.273 -24.112 -23.954 -23.798 -23.642 -23.488 -23.334 -23.184 -23.041 -22.910 -22.794 -22.697 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -48.207 -44.481 -41.371 -38.741 -36.496 -34.564 -32.892 -31.439 -30.175 -29.074 -28.114 -27.278 -26.548 -25.913 -25.366 -24.395 -24.231 -24.072 -23.918 -23.768 -23.621 -23.476 -23.333 -23.193 -23.056 -22.925 -22.802 -22.689 -22.587 -22.495 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -48.192 -44.468 -41.359 -38.729 -36.483 -34.550 -32.877 -31.423 -30.156 -29.052 -28.089 -27.248 -26.513 -25.870 -25.311 -24.351 -24.187 -24.030 -23.878 -23.732 -23.590 -23.451 -23.316 -23.182 -23.052 -22.926 -22.804 -22.688 -22.578 -22.474 -22.374 99999.999 99999.999 99999.999 99999.999 99999.999 -48.178 -44.456 -41.347 -38.717 -36.470 -34.537 -32.862 -31.406 -30.138 -29.031 -28.064 -27.219 -26.479 -25.830 -25.263 -24.306 -24.143 -23.986 -23.836 -23.692 -23.552 -23.418 -23.287 -23.159 -23.035 -22.913 -22.795 -22.680 -22.569 -22.462 -22.357 -22.253 -22.150 99999.999 99999.999 99999.999 -48.165 -44.444 -41.335 -38.705 -36.458 -34.524 -32.848 -31.390 -30.120 -29.010 -28.040 -27.191 -26.447 -25.794 -25.219 -24.263 -24.098 -23.942 -23.792 -23.649 -23.511 -23.379 -23.251 -23.127 -23.007 -22.890 -22.776 -22.664 -22.555 -22.448 -22.343 -22.238 -22.132 -22.025 99999.999 99999.999 -48.152 -44.432 -41.323 -38.693 -36.446 -34.511 -32.834 -31.375 -30.102 -28.990 -28.017 -27.164 -26.416 -25.759 -25.180 -24.219 -24.054 -23.897 -23.747 -23.604 -23.468 -23.337 -23.211 -23.090 -22.973 -22.859 -22.748 -22.640 -22.534 -22.429 -22.326 -22.223 -22.119 -22.012 -21.903 -21.788 -48.139 -44.420 -41.312 -38.682 -36.434 -34.498 -32.820 -31.359 -30.085 -28.970 -27.994 -27.138 -26.387 -25.726 -25.143 -24.177 -24.011 -23.853 -23.703 -23.560 -23.423 -23.293 -23.168 -23.048 -22.933 -22.822 -22.714 -22.609 -22.506 -22.404 -22.304 -22.203 -22.102 -21.999 -21.894 -21.784 -48.029 -44.316 -41.209 -38.578 -36.326 -34.382 -32.694 -31.220 -29.928 -28.792 -27.792 -26.909 -26.129 -25.437 -24.824 -23.795 -23.617 -23.448 -23.287 -23.134 -22.989 -22.851 -22.720 -22.595 -22.477 -22.365 -22.259 -22.158 -22.062 -21.971 -21.884 -21.801 -21.721 -21.644 -21.569 -21.497 -47.948 -44.232 -41.123 -38.489 -36.233 -34.283 -32.587 -31.102 -29.797 -28.645 -27.626 -26.722 -25.919 -25.204 -24.565 -23.485 -23.297 -23.117 -22.945 -22.781 -22.624 -22.475 -22.333 -22.197 -22.068 -21.946 -21.829 -21.718 -21.614 -21.514 -21.420 -21.330 -21.246 -21.166 -21.090 -21.019 -47.888 -44.164 -41.051 -38.412 -36.152 -34.197 -32.493 -31.000 -29.684 -28.519 -27.485 -26.565 -25.744 -25.009 -24.351 -23.228 -23.031 -22.842 -22.661 -22.488 -22.322 -22.163 -22.011 -21.866 -21.727 -21.595 -21.468 -21.348 -21.233 -21.124 -21.020 -20.921 -20.828 -20.739 -20.655 -20.576 -47.846 -44.109 -40.989 -38.346 -36.081 -34.121 -32.411 -30.910 -29.585 -28.410 -27.364 -26.430 -25.594 -24.843 -24.168 -23.010 -22.806 -22.610 -22.421 -22.240 -22.067 -21.900 -21.740 -21.587 -21.440 -21.299 -21.165 -21.036 -20.912 -20.795 -20.682 -20.575 -20.473 -20.375 -20.283 -20.195 -47.818 -44.064 -40.937 -38.289 -36.018 -34.053 -32.338 -30.830 -29.498 -28.314 -27.258 -26.312 -25.463 -24.700 -24.010 -22.823 -22.613 -22.410 -22.215 -22.028 -21.848 -21.675 -21.508 -21.348 -21.195 -21.047 -20.905 -20.769 -20.639 -20.514 -20.394 -20.280 -20.170 -20.065 -19.965 -19.870 -47.802 -44.029 -40.893 -38.238 -35.963 -33.992 -32.272 -30.759 -29.420 -28.228 -27.164 -26.209 -25.349 -24.574 -23.873 -22.660 -22.444 -22.236 -22.036 -21.844 -21.658 -21.479 -21.307 -21.142 -20.982 -20.829 -20.682 -20.540 -20.403 -20.272 -20.146 -20.026 -19.910 -19.799 -19.693 -19.591 -47.796 -44.000 -40.855 -38.194 -35.913 -33.938 -32.212 -30.694 -29.349 -28.151 -27.079 -26.116 -25.248 -24.462 -23.751 -22.516 -22.296 -22.084 -21.879 -21.682 -21.491 -21.308 -21.131 -20.961 -20.797 -20.638 -20.486 -20.339 -20.198 -20.062 -19.931 -19.805 -19.684 -19.568 -19.456 -19.349 99999.999 -43.977 -40.822 -38.155 -35.869 -33.888 -32.158 -30.635 -29.285 -28.081 -27.003 -26.033 -25.156 -24.363 -23.642 -22.389 -22.164 -21.948 -21.739 -21.538 -21.344 -21.156 -20.976 -20.801 -20.633 -20.470 -20.314 -20.163 -20.017 -19.877 -19.741 -19.611 -19.486 -19.365 -19.249 -19.138 vysotskite PdS P-T:All Wt.(g/mol) = 138.460 V(cc/mol) = 20.980 D(g/cc) = 6.600 Ref: RG97 3 -2.000 31 1.000 39 1.000 4 103.623 93.605 84.851 77.157 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 103.623 93.605 84.851 77.157 70.329 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 103.626 93.607 84.853 77.158 70.331 64.215 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 103.630 93.611 84.857 77.162 70.335 64.218 58.685 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 103.637 93.617 84.863 77.168 70.340 64.224 58.691 53.638 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 103.648 93.628 84.873 77.177 70.350 64.233 58.700 53.648 48.990 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 103.665 93.643 84.887 77.191 70.364 64.247 58.715 53.663 49.006 44.665 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 103.688 93.665 84.908 77.211 70.383 64.267 58.735 53.685 49.030 44.692 40.592 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 103.721 93.695 84.937 77.239 70.411 64.294 58.763 53.714 49.062 44.728 40.636 36.700 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 103.765 93.736 84.975 77.276 70.447 64.330 58.800 53.754 49.105 44.777 40.694 36.776 32.919 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 103.822 93.789 85.025 77.324 70.494 64.378 58.849 53.805 49.160 44.839 40.769 36.872 33.055 29.161 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 103.896 93.856 85.089 77.386 70.554 64.438 58.911 53.870 49.230 44.917 40.862 36.991 33.219 29.417 25.200 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 103.952 93.909 85.138 77.433 70.601 64.485 58.958 53.919 49.283 44.977 40.932 37.079 33.340 29.598 25.539 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 104.033 93.983 85.209 77.501 70.667 64.551 59.026 53.990 49.359 45.061 41.030 37.202 33.504 29.838 25.952 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 104.113 94.057 85.278 77.568 70.733 64.616 59.092 54.059 49.433 45.143 41.125 37.318 33.658 30.057 26.310 19.377 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 104.192 94.130 85.347 77.634 70.797 64.681 59.158 54.127 49.506 45.223 41.217 37.430 33.802 30.258 26.629 20.489 18.791 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 104.270 94.202 85.416 77.700 70.861 64.744 59.223 54.195 49.577 45.301 41.306 37.536 33.938 30.445 26.915 20.914 19.513 17.954 16.039 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 104.348 94.274 85.483 77.765 70.925 64.807 59.287 54.261 49.647 45.377 41.392 37.639 34.067 30.617 27.174 21.226 19.921 18.559 17.086 15.412 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 104.425 94.345 85.550 77.829 70.988 64.870 59.350 54.326 49.716 45.452 41.476 37.737 34.188 30.777 27.407 21.485 20.232 18.953 17.627 16.221 14.686 12.976 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 104.501 94.416 85.617 77.893 71.050 64.931 59.412 54.390 49.784 45.525 41.557 37.831 34.303 30.925 27.619 21.710 20.492 19.262 18.010 16.719 15.368 13.932 12.386 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 104.577 94.486 85.683 77.956 71.111 64.992 59.473 54.453 49.850 45.596 41.636 37.922 34.412 31.063 27.810 21.912 20.720 19.524 18.317 17.091 15.835 14.534 13.175 11.745 10.243 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 104.652 94.555 85.748 78.019 71.172 65.053 59.534 54.516 49.916 45.667 41.714 38.010 34.516 31.191 27.983 22.097 20.925 19.754 18.580 17.396 16.197 14.974 13.719 12.425 11.085 9.700 8.279 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 104.727 94.624 85.813 78.081 71.233 65.113 59.595 54.578 49.980 45.736 41.789 38.095 34.614 31.311 28.139 22.267 21.112 19.961 18.812 17.659 16.499 15.327 14.137 12.925 11.687 10.420 9.128 7.817 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 104.800 94.693 85.878 78.143 71.293 65.172 59.654 54.639 50.044 45.803 41.863 38.177 34.708 31.422 28.280 22.427 21.286 20.151 19.021 17.892 16.761 15.625 14.480 13.324 12.152 10.964 9.760 8.543 7.319 6.096 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 104.874 94.760 85.942 78.204 71.352 65.231 59.713 54.699 50.107 45.870 41.935 38.257 34.798 31.527 28.408 22.577 21.448 20.327 19.213 18.104 16.996 15.887 14.775 13.657 12.532 11.399 10.256 9.107 7.954 6.802 5.658 99999.999 99999.999 99999.999 99999.999 99999.999 104.947 94.828 86.005 78.264 71.411 65.289 59.771 54.758 50.168 45.935 42.005 38.334 34.885 31.626 28.526 22.719 21.600 20.492 19.391 18.298 17.208 16.121 15.035 13.947 12.857 11.763 10.666 9.565 8.465 7.367 6.276 5.197 4.137 99999.999 99999.999 99999.999 105.019 94.895 86.068 78.325 71.470 65.346 59.829 54.817 50.229 46.000 42.074 38.409 34.968 31.719 28.634 22.854 21.744 20.646 19.558 18.478 17.404 16.335 15.269 14.205 13.141 12.078 11.015 9.952 8.891 7.834 6.784 5.746 4.723 3.720 99999.999 99999.999 105.091 94.961 86.131 78.384 71.528 65.403 59.886 54.875 50.290 46.063 42.142 38.482 35.048 31.808 28.735 22.983 21.881 20.793 19.715 18.646 17.586 16.532 15.483 14.438 13.397 12.357 11.321 10.287 9.257 8.232 7.215 6.208 5.216 4.241 3.287 2.359 105.162 95.027 86.193 78.444 71.585 65.460 59.943 54.933 50.349 46.125 42.208 38.554 35.126 31.895 28.831 23.106 22.012 20.932 19.863 18.805 17.756 16.715 15.681 14.652 13.629 12.609 11.594 10.584 9.578 8.579 7.589 6.608 5.640 4.688 3.755 2.844 105.848 95.663 86.791 79.015 72.137 66.001 60.481 55.477 50.908 46.707 42.822 39.208 35.830 32.658 29.666 24.134 23.088 22.061 21.050 20.055 19.075 18.108 17.155 16.214 15.285 14.367 13.459 12.562 11.675 10.798 9.931 9.074 8.227 7.390 6.563 5.748 106.494 96.262 87.355 79.552 72.655 66.506 60.980 55.976 51.414 47.227 43.363 39.776 36.431 33.298 30.351 24.932 23.913 22.915 21.934 20.971 20.025 19.095 18.179 17.278 16.391 15.517 14.655 13.805 12.967 12.139 11.323 10.517 9.721 8.935 8.158 7.391 107.107 96.833 87.892 80.062 73.145 66.983 61.449 56.442 51.882 47.703 43.852 40.284 36.962 33.856 30.941 25.598 24.597 23.617 22.656 21.714 20.789 19.881 18.989 18.112 17.250 16.402 15.567 14.745 13.935 13.138 12.351 11.576 10.811 10.056 9.311 8.576 107.696 97.380 88.406 80.550 73.614 67.436 61.892 56.880 52.320 48.145 44.302 40.747 37.441 34.356 31.463 26.176 25.188 24.221 23.274 22.346 21.436 20.543 19.667 18.807 17.962 17.131 16.315 15.512 14.722 13.944 13.178 12.423 11.679 10.946 10.223 9.509 108.264 97.908 88.901 81.019 74.063 67.871 62.316 57.297 52.734 48.561 44.723 41.175 37.882 34.811 31.936 26.690 25.712 24.754 23.817 22.900 22.001 21.119 20.255 19.407 18.575 17.757 16.954 16.165 15.388 14.625 13.873 13.133 12.405 11.687 10.979 10.282 108.816 98.420 89.380 81.473 74.497 68.289 62.723 57.696 53.129 48.954 45.118 41.577 38.291 35.231 32.370 27.156 26.185 25.235 24.306 23.396 22.505 21.633 20.777 19.938 19.115 18.308 17.514 16.735 15.969 15.216 14.476 13.747 13.030 12.323 11.627 10.941 109.354 98.919 89.846 81.913 74.917 68.694 63.115 58.080 53.507 49.330 45.495 41.956 38.676 35.624 32.772 27.583 26.617 25.673 24.750 23.847 22.963 22.097 21.248 20.416 19.601 18.800 18.015 17.243 16.486 15.741 15.008 14.288 13.579 12.882 12.195 11.518 99999.999 99.407 90.301 82.342 75.326 69.087 63.496 58.452 53.872 49.691 45.854 42.316 39.040 35.993 33.148 27.979 27.018 26.078 25.160 24.262 23.382 22.522 21.679 20.852 20.042 19.248 18.468 17.703 16.951 16.213 15.487 14.773 14.071 13.381 12.700 12.031 cerium Ce P-T:All Wt.(g/mol) = 140.120 V(cc/mol) = 20.770 D(g/cc) = 6.746 Ref: RH95 5 1.000 52 1.500 2 0.375 6 -3.375 1 -0.375 4 143.799 131.087 120.319 111.088 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.800 131.087 120.319 111.088 103.086 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.800 131.088 120.320 111.088 103.086 96.081 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.802 131.090 120.321 111.090 103.088 96.082 89.893 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.805 131.092 120.324 111.092 103.090 96.084 89.895 84.384 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.809 131.097 120.328 111.096 103.094 96.088 89.899 84.388 79.444 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.815 131.103 120.333 111.102 103.099 96.093 89.905 84.393 79.450 74.985 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.824 131.112 120.342 111.110 103.107 96.101 89.912 84.401 79.458 74.994 70.933 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.836 131.124 120.354 111.121 103.119 96.112 89.923 84.412 79.470 75.006 70.946 67.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.853 131.140 120.370 111.136 103.133 96.127 89.938 84.427 79.485 75.022 70.964 67.250 63.840 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.874 131.161 120.390 111.156 103.152 96.145 89.956 84.446 79.504 75.042 70.986 67.276 63.867 60.762 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.901 131.188 120.416 111.181 103.177 96.169 89.980 84.470 79.529 75.068 71.015 67.309 63.903 60.779 58.074 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.922 131.209 120.436 111.201 103.195 96.188 89.999 84.489 79.548 75.088 71.037 67.334 63.932 60.803 57.960 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.951 131.238 120.465 111.228 103.222 96.214 90.025 84.515 79.575 75.117 71.068 67.369 63.974 60.845 57.938 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.980 131.267 120.493 111.255 103.249 96.240 90.050 84.541 79.601 75.144 71.098 67.404 64.015 60.893 57.973 57.860 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.008 131.296 120.520 111.282 103.275 96.265 90.076 84.566 79.627 75.172 71.128 67.438 64.055 60.941 58.028 55.050 55.498 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.036 131.324 120.548 111.309 103.300 96.290 90.101 84.591 79.653 75.198 71.156 67.470 64.094 60.988 58.090 54.365 54.034 54.065 54.484 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.064 131.352 120.575 111.335 103.326 96.315 90.125 84.616 79.678 75.224 71.184 67.502 64.131 61.034 58.154 54.056 53.478 53.078 52.904 52.957 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.091 131.380 120.602 111.361 103.351 96.340 90.150 84.641 79.703 75.250 71.212 67.532 64.167 61.078 58.214 53.883 53.192 52.610 52.163 51.872 51.728 51.678 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.118 131.407 120.628 111.386 103.376 96.364 90.174 84.665 79.728 75.275 71.239 67.562 64.200 61.118 58.270 53.776 53.022 52.346 51.762 51.283 50.918 50.658 50.472 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.144 131.434 120.655 111.412 103.400 96.388 90.197 84.688 79.752 75.300 71.265 67.590 64.232 61.156 58.321 53.707 52.913 52.181 51.518 50.933 50.433 50.020 49.686 49.412 49.172 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.170 131.460 120.681 111.437 103.425 96.412 90.221 84.712 79.776 75.325 71.290 67.617 64.262 61.191 58.366 53.661 52.841 52.072 51.360 50.709 50.125 49.610 49.165 48.783 48.451 48.154 47.874 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.196 131.487 120.706 111.462 103.449 96.435 90.244 84.735 79.799 75.349 71.315 67.644 64.291 61.222 58.406 53.632 52.792 51.998 51.253 50.558 49.918 49.335 48.812 48.345 47.931 47.561 47.224 46.909 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.221 131.513 120.732 111.486 103.472 96.459 90.267 84.758 79.822 75.372 71.340 67.669 64.318 61.252 58.440 53.613 52.760 51.947 51.178 50.452 49.774 49.145 48.565 48.037 47.556 47.121 46.724 46.359 46.019 45.697 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.246 131.538 120.757 111.511 103.496 96.482 90.290 84.781 79.845 75.396 71.364 67.694 64.344 61.278 58.470 53.603 52.738 51.912 51.125 50.377 49.671 49.008 48.389 47.814 47.283 46.795 46.346 45.931 45.547 45.188 44.851 99999.999 99999.999 99999.999 99999.999 99999.999 144.271 131.564 120.782 111.535 103.519 96.504 90.312 84.803 79.867 75.419 71.387 67.718 64.368 61.303 58.495 53.598 52.726 51.889 51.088 50.324 49.597 48.909 48.260 47.651 47.081 46.551 46.058 45.600 45.174 44.777 44.405 44.055 43.726 99999.999 99999.999 99999.999 144.295 131.589 120.806 111.559 103.542 96.527 90.334 84.825 79.890 75.441 71.410 67.742 64.392 61.326 58.518 53.598 52.719 51.873 51.062 50.285 49.543 48.836 48.164 47.529 46.930 46.366 45.838 45.343 44.881 44.448 44.042 43.660 43.301 42.964 99999.999 99999.999 144.319 131.614 120.831 111.582 103.565 96.549 90.356 84.847 79.912 75.464 71.433 67.765 64.415 61.349 58.538 53.602 52.717 51.865 51.045 50.258 49.503 48.782 48.093 47.437 46.814 46.225 45.668 45.144 44.650 44.185 43.748 43.336 42.948 42.583 42.239 41.914 144.343 131.638 120.855 111.606 103.588 96.571 90.378 84.869 79.934 75.486 71.455 67.787 64.437 61.370 58.557 53.609 52.719 51.861 51.035 50.240 49.475 48.742 48.039 47.367 46.726 46.116 45.537 44.987 44.467 43.975 43.511 43.072 42.657 42.265 41.895 41.545 144.564 131.872 121.086 111.830 103.805 96.783 90.585 85.074 80.139 75.693 71.666 68.000 64.650 61.579 58.755 53.748 52.838 51.956 51.100 50.270 49.465 48.684 47.926 47.191 46.478 45.786 45.114 44.464 43.832 43.221 42.627 42.053 41.496 40.957 40.435 39.929 144.762 132.088 121.300 112.038 104.007 96.979 90.777 85.262 80.326 75.881 71.856 68.192 64.844 61.774 58.948 53.926 53.011 52.122 51.259 50.421 49.606 48.814 48.044 47.295 46.566 45.856 45.165 44.492 43.837 43.198 42.576 41.969 41.378 40.801 40.238 39.689 144.942 132.288 121.501 112.235 104.198 97.164 90.957 85.439 80.501 76.055 72.030 68.368 65.022 61.953 59.128 54.103 53.187 52.296 51.431 50.590 49.773 48.977 48.203 47.450 46.716 46.001 45.304 44.625 43.963 43.316 42.685 42.070 41.468 40.880 40.306 39.744 145.108 132.476 121.692 112.421 104.379 97.339 91.127 85.605 80.665 76.217 72.192 68.531 65.187 62.119 59.295 54.272 53.355 52.464 51.599 50.757 49.939 49.143 48.368 47.613 46.878 46.161 45.463 44.782 44.117 43.468 42.835 42.216 41.611 41.020 40.442 39.877 145.262 132.656 121.874 112.600 104.553 97.507 91.291 85.765 80.821 76.371 72.345 68.684 65.341 62.274 59.451 54.430 53.513 52.623 51.758 50.916 50.098 49.302 48.527 47.772 47.037 46.320 45.621 44.939 44.274 43.625 42.991 42.372 41.767 41.175 40.596 40.030 145.407 132.827 122.049 112.772 104.720 97.670 91.448 85.918 80.970 76.518 72.491 68.829 65.486 62.420 59.598 54.579 53.663 52.773 51.908 51.067 50.249 49.453 48.678 47.923 47.188 46.472 45.773 45.092 44.427 43.778 43.144 42.525 41.920 41.329 40.750 40.184 145.545 132.992 122.218 112.939 104.883 97.827 91.600 86.066 81.115 76.660 72.630 68.967 65.623 62.558 59.737 54.720 53.804 52.914 52.049 51.209 50.391 49.596 48.821 48.067 47.332 46.616 45.918 45.237 44.573 43.924 43.291 42.672 42.068 41.477 40.899 40.333 99999.999 133.153 122.383 113.102 105.041 97.980 91.749 86.210 81.255 76.797 72.765 69.100 65.755 62.689 59.868 54.853 53.937 53.048 52.183 51.343 50.526 49.731 48.957 48.203 47.469 46.753 46.055 45.375 44.711 44.063 43.430 42.812 42.208 41.617 41.040 40.475 cerianite CeO2 P-T:All Wt.(g/mol) = 172.199 V(cc/mol) = 23.850 D(g/cc) = 7.220 Ref: RH95 5 1.000 52 1.500 2 0.125 4 -2.875 1 -0.125 6 20.087 17.705 15.629 13.815 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.087 17.705 15.629 13.815 12.214 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.088 17.706 15.630 13.816 12.215 10.786 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.090 17.708 15.632 13.818 12.217 10.788 9.498 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.093 17.711 15.635 13.821 12.219 10.790 9.501 8.323 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.099 17.716 15.640 13.825 12.224 10.795 9.505 8.328 7.241 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.106 17.723 15.647 13.832 12.230 10.801 9.512 8.335 7.248 6.232 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.118 17.734 15.657 13.841 12.239 10.811 9.521 8.344 7.259 6.243 5.277 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.133 17.748 15.670 13.854 12.252 10.823 9.534 8.358 7.273 6.259 5.295 4.361 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.153 17.767 15.689 13.872 12.269 10.840 9.551 8.375 7.291 6.279 5.319 4.390 3.479 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.180 17.792 15.712 13.895 12.291 10.862 9.573 8.398 7.316 6.306 5.349 4.426 3.524 2.651 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.213 17.824 15.742 13.924 12.320 10.890 9.602 8.428 7.346 6.339 5.387 4.473 3.581 2.705 1.940 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.239 17.848 15.766 13.946 12.342 10.912 9.623 8.450 7.370 6.365 5.416 4.508 3.625 2.754 1.887 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.276 17.883 15.799 13.978 12.372 10.942 9.654 8.482 7.403 6.401 5.457 4.557 3.686 2.829 1.931 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.311 17.917 15.831 14.009 12.403 10.972 9.684 8.513 7.436 6.436 5.497 4.604 3.746 2.905 2.018 5.066 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.347 17.951 15.863 14.040 12.433 11.002 9.714 8.543 7.468 6.470 5.535 4.650 3.803 2.978 2.117 2.668 3.584 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.382 17.984 15.895 14.070 12.462 11.031 9.743 8.573 7.499 6.503 5.572 4.694 3.857 3.049 2.218 2.103 2.354 2.887 3.692 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.416 18.017 15.926 14.100 12.491 11.060 9.772 8.602 7.529 6.536 5.609 4.736 3.909 3.116 2.315 1.866 1.904 2.075 2.413 2.904 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.450 18.049 15.957 14.130 12.520 11.088 9.801 8.631 7.560 6.568 5.644 4.776 3.958 3.179 2.405 1.745 1.688 1.705 1.817 2.037 2.352 2.703 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.483 18.081 15.988 14.159 12.549 11.116 9.829 8.660 7.589 6.599 5.678 4.815 4.004 3.237 2.488 1.679 1.570 1.509 1.507 1.575 1.717 1.921 2.157 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.516 18.113 16.018 14.188 12.577 11.144 9.856 8.688 7.618 6.630 5.711 4.852 4.047 3.290 2.562 1.645 1.504 1.396 1.329 1.310 1.344 1.431 1.563 1.720 1.878 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.548 18.144 16.048 14.217 12.605 11.171 9.883 8.716 7.647 6.660 5.744 4.888 4.089 3.340 2.629 1.630 1.467 1.330 1.223 1.150 1.115 1.123 1.170 1.250 1.353 1.463 1.566 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.580 18.175 16.077 14.245 12.632 11.198 9.910 8.743 7.675 6.690 5.775 4.923 4.127 3.385 2.687 1.627 1.450 1.292 1.158 1.050 0.971 0.924 0.910 0.927 0.971 1.034 1.107 1.182 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.612 18.205 16.106 14.273 12.659 11.225 9.937 8.770 7.703 6.719 5.806 4.956 4.164 3.427 2.739 1.632 1.444 1.273 1.120 0.987 0.878 0.794 0.736 0.705 0.700 0.716 0.750 0.795 0.847 0.902 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.643 18.236 16.135 14.301 12.686 11.251 9.963 8.797 7.730 6.747 5.836 4.988 4.199 3.465 2.783 1.644 1.448 1.266 1.099 0.949 0.818 0.707 0.618 0.552 0.508 0.485 0.480 0.492 0.516 0.550 0.590 99999.999 99999.999 99999.999 99999.999 99999.999 20.674 18.265 16.164 14.328 12.712 11.277 9.989 8.823 7.757 6.775 5.866 5.020 4.232 3.501 2.823 1.660 1.457 1.267 1.090 0.928 0.781 0.651 0.539 0.445 0.371 0.316 0.280 0.260 0.255 0.262 0.280 0.308 0.344 99999.999 99999.999 99999.999 20.704 18.295 16.192 14.355 12.739 11.303 10.015 8.848 7.783 6.803 5.894 5.050 4.264 3.534 2.857 1.678 1.471 1.275 1.091 0.918 0.759 0.615 0.485 0.372 0.275 0.195 0.131 0.084 0.052 0.034 0.028 0.033 0.049 0.076 99999.999 99999.999 20.734 18.324 16.220 14.382 12.765 11.328 10.040 8.874 7.809 6.830 5.923 5.079 4.295 3.565 2.889 1.700 1.489 1.288 1.097 0.918 0.749 0.594 0.451 0.322 0.207 0.107 0.022 -0.048 -0.104 -0.146 -0.175 -0.191 -0.196 -0.190 -0.173 -0.145 20.763 18.352 16.247 14.409 12.790 11.353 10.065 8.899 7.835 6.856 5.950 5.108 4.325 3.596 2.919 1.722 1.509 1.304 1.109 0.923 0.748 0.583 0.430 0.289 0.161 0.045 -0.057 -0.146 -0.222 -0.284 -0.334 -0.372 -0.397 -0.411 -0.414 -0.406 21.040 18.624 16.509 14.660 13.034 11.591 10.300 9.135 8.075 7.104 6.207 5.375 4.601 3.879 3.204 1.986 1.762 1.543 1.330 1.123 0.922 0.726 0.535 0.350 0.170 -0.004 -0.173 -0.337 -0.495 -0.648 -0.795 -0.936 -1.072 -1.202 -1.326 -1.444 21.287 18.872 16.749 14.891 13.257 11.809 10.515 9.349 8.290 7.323 6.432 5.608 4.842 4.128 3.460 2.249 2.024 1.805 1.590 1.381 1.177 0.977 0.781 0.589 0.402 0.219 0.039 -0.137 -0.310 -0.479 -0.644 -0.807 -0.966 -1.122 -1.275 -1.425 21.512 19.102 16.972 15.107 13.466 12.011 10.713 9.545 8.487 7.522 6.635 5.817 5.058 4.350 3.690 2.489 2.266 2.049 1.836 1.628 1.425 1.225 1.030 0.839 0.652 0.468 0.287 0.110 -0.064 -0.235 -0.404 -0.569 -0.733 -0.894 -1.052 -1.208 21.720 19.316 17.182 15.310 13.662 12.202 10.899 9.728 8.669 7.705 6.821 6.007 5.252 4.551 3.896 2.708 2.487 2.272 2.061 1.855 1.654 1.456 1.263 1.074 0.888 0.706 0.527 0.351 0.179 0.009 -0.159 -0.323 -0.486 -0.646 -0.804 -0.960 21.913 19.518 17.380 15.502 13.847 12.382 11.075 9.901 8.840 7.875 6.993 6.181 5.431 4.734 4.085 2.907 2.688 2.475 2.266 2.063 1.863 1.668 1.477 1.290 1.106 0.926 0.749 0.576 0.405 0.237 0.072 -0.091 -0.251 -0.409 -0.565 -0.719 22.094 19.710 17.570 15.685 14.025 12.554 11.242 10.065 9.002 8.036 7.154 6.344 5.597 4.903 4.258 3.089 2.872 2.661 2.454 2.253 2.055 1.862 1.673 1.488 1.306 1.128 0.954 0.782 0.614 0.448 0.285 0.125 -0.033 -0.189 -0.343 -0.494 22.266 19.895 17.752 15.862 14.196 12.719 11.403 10.222 9.156 8.189 7.307 6.497 5.751 5.061 4.418 3.257 3.043 2.833 2.628 2.428 2.232 2.041 1.853 1.670 1.490 1.314 1.142 0.972 0.805 0.642 0.481 0.322 0.166 0.013 -0.139 -0.288 99999.999 20.073 17.927 16.032 14.360 12.879 11.557 10.373 9.304 8.335 7.452 6.642 5.898 5.209 4.569 3.414 3.200 2.992 2.789 2.590 2.396 2.206 2.020 1.838 1.660 1.486 1.315 1.147 0.982 0.820 0.661 0.504 0.350 0.198 0.048 -0.099 Ce2O3(s) Ce2O3 P-T:All Wt.(g/mol) = 328.238 V(cc/mol) = 47.750 D(g/cc) = 6.874 Ref: RHF78 3 2.000 52 3.000 2 -6.000 1 69.653 62.346 56.063 50.619 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.653 62.346 56.063 50.619 45.853 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.655 62.348 56.065 50.621 45.854 41.636 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.658 62.352 56.068 50.624 45.858 41.639 37.867 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.665 62.358 56.074 50.630 45.863 41.645 37.872 34.465 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.675 62.367 56.083 50.638 45.871 41.653 37.881 34.474 31.366 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.690 62.382 56.097 50.652 45.884 41.666 37.894 34.487 31.380 28.516 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.712 62.402 56.117 50.670 45.903 41.684 37.912 34.506 31.400 28.538 25.864 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.741 62.431 56.144 50.696 45.928 41.709 37.937 34.532 31.427 28.567 25.898 23.370 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.781 62.468 56.179 50.731 45.961 41.742 37.971 34.566 31.463 28.607 25.943 23.423 21.019 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.832 62.517 56.226 50.776 46.005 41.785 38.014 34.611 31.510 28.657 26.000 23.492 21.099 18.847 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.897 62.580 56.286 50.833 46.060 41.840 38.069 34.667 31.569 28.721 26.073 23.578 21.203 18.937 16.995 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.947 62.628 56.331 50.877 46.103 41.882 38.112 34.711 31.615 28.770 26.128 23.644 21.284 19.023 16.860 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.018 62.696 56.396 50.939 46.164 41.942 38.172 34.772 31.679 28.839 26.205 23.736 21.398 19.157 16.916 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.088 62.763 56.461 51.001 46.224 42.001 38.231 34.833 31.742 28.906 26.280 23.825 21.509 19.295 17.064 22.569 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.157 62.829 56.524 51.062 46.283 42.059 38.289 34.892 31.804 28.972 26.353 23.911 21.615 19.430 17.241 17.567 19.346 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.225 62.895 56.587 51.122 46.341 42.117 38.347 34.950 31.864 29.036 26.424 23.994 21.717 19.561 17.424 16.380 16.769 17.760 19.347 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.292 62.959 56.648 51.181 46.399 42.173 38.403 35.008 31.924 29.099 26.494 24.074 21.813 19.685 17.601 15.869 15.818 16.048 16.638 17.566 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.358 63.023 56.709 51.240 46.456 42.229 38.459 35.065 31.982 29.161 26.561 24.150 21.905 19.801 17.768 15.602 15.351 15.261 15.375 15.724 16.284 16.942 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.422 63.086 56.770 51.298 46.512 42.284 38.514 35.120 32.040 29.221 26.626 24.224 21.992 19.909 17.921 15.451 15.090 14.835 14.709 14.737 14.927 15.260 15.672 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.486 63.148 56.829 51.355 46.567 42.339 38.568 35.175 32.096 29.281 26.690 24.295 22.074 20.009 18.059 15.365 14.937 14.584 14.322 14.165 14.126 14.206 14.388 14.634 14.895 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.550 63.210 56.888 51.412 46.622 42.393 38.622 35.229 32.152 29.339 26.752 24.363 22.152 20.101 18.181 15.320 14.847 14.431 14.083 13.813 13.630 13.539 13.538 13.616 13.747 13.902 14.053 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.612 63.270 56.947 51.468 46.677 42.446 38.675 35.283 32.207 29.396 26.813 24.429 22.225 20.186 18.290 15.302 14.796 14.338 13.933 13.588 13.310 13.104 12.973 12.913 12.915 12.963 13.040 13.127 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.673 63.331 57.004 51.523 46.730 42.498 38.727 35.336 32.261 29.452 26.872 24.493 22.295 20.264 18.384 15.301 14.773 14.284 13.839 13.442 13.099 12.814 12.589 12.426 12.321 12.267 12.255 12.273 12.310 12.357 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 70.734 63.390 57.061 51.578 46.783 42.550 38.779 35.388 32.314 29.507 26.930 24.554 22.360 20.335 18.467 15.314 14.768 14.256 13.782 13.349 12.959 12.617 12.325 12.085 11.896 11.757 11.662 11.605 11.577 11.573 11.588 99999.999 99999.999 99999.999 99999.999 99999.999 70.794 63.449 57.118 51.632 46.836 42.602 38.830 35.439 32.366 29.562 26.987 24.614 22.423 20.402 18.539 15.336 14.776 14.247 13.751 13.290 12.867 12.483 12.141 11.844 11.592 11.383 11.218 11.091 10.999 10.937 10.901 10.886 10.892 99999.999 99999.999 99999.999 70.853 63.507 57.174 51.686 46.888 42.653 38.880 35.490 32.418 29.615 27.042 24.672 22.483 20.464 18.603 15.365 14.795 14.252 13.740 13.258 12.808 12.393 12.014 11.673 11.372 11.109 10.886 10.700 10.549 10.430 10.341 10.277 10.239 10.223 99999.999 99999.999 70.911 63.564 57.229 51.739 46.940 42.703 38.930 35.540 32.469 29.668 27.097 24.728 22.542 20.523 18.662 15.399 14.821 14.268 13.742 13.243 12.774 12.335 11.927 11.553 11.213 10.908 10.638 10.402 10.201 10.031 9.891 9.780 9.694 9.634 9.599 9.587 70.969 63.621 57.284 51.792 46.990 42.753 38.979 35.589 32.519 29.719 27.150 24.784 22.598 20.580 18.717 15.437 14.852 14.291 13.754 13.243 12.758 12.300 11.870 11.470 11.100 10.761 10.453 10.177 9.932 9.718 9.533 9.377 9.247 9.144 9.065 9.011 71.509 64.160 57.804 52.293 47.475 43.226 39.446 36.055 32.991 30.202 27.648 25.297 23.126 21.115 19.251 15.909 15.297 14.703 14.125 13.564 13.019 12.490 11.977 11.479 10.995 10.527 10.073 9.634 9.210 8.801 8.406 8.026 7.660 7.309 6.973 6.652 71.995 64.653 58.285 52.757 47.923 43.661 39.873 36.479 33.416 30.634 28.089 25.751 23.593 21.594 19.738 16.398 15.783 15.184 14.601 14.032 13.478 12.937 12.410 11.895 11.392 10.902 10.422 9.954 9.496 9.048 8.611 8.183 7.765 7.356 6.956 6.565 72.438 65.111 58.733 53.190 48.342 44.068 40.270 36.871 33.807 31.027 28.489 26.160 24.012 22.024 20.178 16.853 16.241 15.643 15.061 14.493 13.939 13.398 12.869 12.353 11.848 11.354 10.870 10.396 9.932 9.478 9.032 8.594 8.165 7.743 7.329 6.922 72.847 65.541 59.155 53.599 48.737 44.451 40.644 37.238 34.171 31.391 28.857 26.534 24.394 22.415 20.578 17.271 16.662 16.067 15.488 14.923 14.371 13.833 13.306 12.792 12.289 11.796 11.314 10.842 10.379 9.925 9.479 9.041 8.612 8.189 7.774 7.365 73.229 65.948 59.557 53.989 49.114 44.816 40.999 37.586 34.514 31.732 29.199 26.880 24.746 22.774 20.945 17.655 17.049 16.458 15.882 15.319 14.771 14.235 13.712 13.201 12.701 12.211 11.732 11.262 10.802 10.351 9.908 9.474 9.047 8.627 8.214 7.808 73.588 66.336 59.941 54.362 49.475 45.166 41.339 37.918 34.840 32.056 29.522 27.204 25.074 23.108 21.285 18.009 17.406 16.818 16.245 15.686 15.140 14.608 14.088 13.579 13.082 12.596 12.120 11.654 11.197 10.749 10.309 9.878 9.455 9.038 8.629 8.227 73.930 66.709 60.312 54.722 49.824 45.503 41.666 38.237 35.153 32.364 29.828 27.510 25.382 23.420 21.602 18.338 17.737 17.152 16.582 16.025 15.482 14.953 14.435 13.930 13.436 12.952 12.479 12.016 11.562 11.117 10.681 10.253 9.833 9.420 9.014 8.615 99999.999 67.070 60.670 55.071 50.161 45.829 41.982 38.544 35.454 32.660 30.121 27.802 25.675 23.714 21.900 18.646 18.047 17.464 16.896 16.342 15.801 15.274 14.759 14.256 13.764 13.283 12.813 12.352 11.901 11.459 11.026 10.600 10.183 9.773 9.370 8.974 dysprosium Dy P-T:All Wt.(g/mol) = 162.500 V(cc/mol) = 19.010 D(g/cc) = 8.548 Ref: RHF78 5 1.000 60 1.500 2 0.375 6 -3.375 1 -0.375 4 141.633 128.962 118.251 109.085 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.633 128.962 118.251 109.085 101.152 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.633 128.962 118.252 109.086 101.152 94.216 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.635 128.964 118.253 109.087 101.154 94.217 88.098 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.637 128.966 118.255 109.089 101.156 94.219 88.100 82.658 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.640 128.970 118.259 109.092 101.159 94.223 88.104 82.661 77.786 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.646 128.975 118.264 109.097 101.164 94.228 88.108 82.666 77.791 73.393 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.653 128.982 118.271 109.104 101.171 94.234 88.115 82.673 77.798 73.401 69.405 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.664 128.993 118.281 109.114 101.180 94.244 88.125 82.683 77.809 73.412 69.417 65.765 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.678 129.007 118.295 109.127 101.193 94.257 88.138 82.696 77.822 73.426 69.433 65.783 62.436 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.696 129.025 118.312 109.144 101.210 94.273 88.154 82.713 77.840 73.445 69.454 65.807 62.461 59.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.719 129.048 118.334 109.166 101.231 94.294 88.175 82.735 77.862 73.469 69.481 65.839 62.496 59.433 56.799 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.736 129.065 118.352 109.183 101.247 94.310 88.192 82.751 77.880 73.487 69.502 65.862 62.523 59.456 56.677 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.761 129.090 118.376 109.206 101.270 94.333 88.214 82.775 77.904 73.513 69.530 65.896 62.563 59.497 56.651 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.785 129.115 118.400 109.230 101.293 94.355 88.237 82.798 77.928 73.538 69.558 65.929 62.603 59.542 56.683 56.913 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.809 129.139 118.424 109.253 101.315 94.378 88.259 82.820 77.951 73.563 69.586 65.960 62.642 59.589 56.737 53.967 54.504 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.833 129.163 118.447 109.275 101.338 94.400 88.281 82.843 77.974 73.587 69.612 65.991 62.679 59.636 56.798 53.249 52.968 53.066 53.571 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.856 129.187 118.470 109.298 101.360 94.421 88.303 82.865 77.997 73.611 69.638 66.021 62.714 59.680 56.860 52.923 52.384 52.030 51.911 52.031 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.878 129.210 118.493 109.320 101.381 94.442 88.324 82.886 78.019 73.634 69.663 66.049 62.748 59.722 56.920 52.739 52.082 51.538 51.134 50.891 50.803 50.814 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.901 129.233 118.516 109.342 101.403 94.463 88.345 82.908 78.041 73.657 69.688 66.077 62.780 59.761 56.975 52.625 51.902 51.259 50.711 50.273 49.952 49.740 49.607 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.923 129.256 118.538 109.364 101.424 94.484 88.366 82.928 78.062 73.680 69.712 66.103 62.810 59.797 57.025 52.550 51.786 51.084 50.454 49.904 49.442 49.069 48.779 48.552 48.360 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.944 129.278 118.560 109.385 101.445 94.505 88.386 82.949 78.083 73.702 69.735 66.128 62.838 59.830 57.069 52.499 51.707 50.968 50.286 49.667 49.116 48.637 48.231 47.889 47.600 47.346 47.111 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.965 129.300 118.582 109.406 101.465 94.525 88.406 82.970 78.104 73.723 69.758 66.153 62.865 59.861 57.107 52.466 51.654 50.888 50.171 49.506 48.897 48.347 47.858 47.428 47.052 46.721 46.424 46.150 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.986 129.322 118.603 109.427 101.486 94.545 88.426 82.990 78.125 73.745 69.780 66.176 62.890 59.888 57.140 52.444 51.617 50.832 50.090 49.393 48.744 48.145 47.598 47.102 46.657 46.257 45.897 45.570 45.268 44.985 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.007 129.343 118.624 109.448 101.506 94.565 88.446 83.009 78.145 73.765 69.802 66.199 62.914 59.913 57.168 52.430 51.592 50.792 50.032 49.312 48.634 48.000 47.411 46.867 46.368 45.913 45.497 45.118 44.770 44.447 44.146 99999.999 99999.999 99999.999 99999.999 99999.999 142.027 129.365 118.645 109.468 101.526 94.585 88.466 83.029 78.165 73.786 69.823 66.221 62.937 59.936 57.192 52.423 51.576 50.765 49.990 49.253 48.554 47.894 47.273 46.693 46.154 45.654 45.193 44.768 44.376 44.012 43.675 43.360 43.066 99999.999 99999.999 99999.999 142.047 129.386 118.666 109.488 101.545 94.604 88.485 83.048 78.185 73.806 69.844 66.242 62.958 59.957 57.212 52.420 51.566 50.747 49.961 49.210 48.495 47.815 47.171 46.563 45.993 45.459 44.961 44.497 44.066 43.664 43.291 42.943 42.617 42.313 99999.999 99999.999 142.067 129.407 118.687 109.508 101.565 94.623 88.504 83.068 78.204 73.826 69.864 66.263 62.979 59.977 57.231 52.422 51.562 50.735 49.941 49.179 48.451 47.755 47.093 46.465 45.870 45.309 44.781 44.285 43.821 43.387 42.980 42.600 42.244 41.911 41.599 41.307 142.086 129.427 118.707 109.528 101.584 94.642 88.523 83.086 78.223 73.846 69.884 66.284 63.000 59.997 57.248 52.426 51.561 50.729 49.928 49.158 48.419 47.711 47.034 46.389 45.775 45.192 44.641 44.119 43.628 43.165 42.729 42.320 41.936 41.574 41.235 40.916 142.265 129.621 118.900 109.717 101.768 94.822 88.701 83.265 78.403 74.030 70.073 66.476 63.193 60.187 57.428 52.546 51.660 50.802 49.971 49.165 48.384 47.626 46.893 46.181 45.491 44.823 44.175 43.548 42.940 42.352 41.782 41.231 40.697 40.182 39.683 39.201 142.422 129.796 119.077 109.891 101.938 94.988 88.864 83.427 78.566 74.194 70.241 66.647 63.368 60.364 57.603 52.707 51.817 50.952 50.114 49.299 48.508 47.740 46.993 46.267 45.561 44.875 44.207 43.556 42.923 42.307 41.707 41.123 40.553 39.998 39.457 38.930 142.561 129.958 119.242 110.054 102.097 95.144 89.016 83.577 78.716 74.345 70.393 66.803 63.527 60.525 57.766 52.869 51.977 51.111 50.270 49.454 48.660 47.888 47.138 46.408 45.697 45.005 44.331 43.675 43.034 42.410 41.801 41.207 40.627 40.061 39.508 38.967 142.687 130.109 119.397 110.207 102.247 95.290 89.160 83.718 78.856 74.485 70.534 66.946 63.672 60.673 57.916 53.022 52.130 51.264 50.423 49.606 48.812 48.040 47.289 46.557 45.846 45.152 44.477 43.818 43.176 42.549 41.938 41.341 40.758 40.189 39.632 39.088 142.803 130.251 119.544 110.353 102.390 95.430 89.296 83.852 78.988 74.616 70.666 67.079 63.807 60.810 58.056 53.165 52.274 51.409 50.568 49.752 48.958 48.186 47.434 46.703 45.992 45.298 44.622 43.964 43.321 42.694 42.083 41.485 40.902 40.332 39.775 39.230 142.909 130.386 119.685 110.493 102.528 95.564 89.427 83.980 79.114 74.741 70.791 67.204 63.933 60.938 58.186 53.299 52.409 51.544 50.704 49.888 49.095 48.323 47.573 46.842 46.131 45.438 44.762 44.104 43.462 42.836 42.225 41.628 41.045 40.475 39.918 39.373 143.008 130.515 119.821 110.629 102.660 95.693 89.553 84.103 79.235 74.861 70.909 67.322 64.052 61.058 58.307 53.424 52.535 51.671 50.831 50.016 49.223 48.453 47.703 46.973 46.262 45.570 44.895 44.237 43.596 42.970 42.360 41.763 41.181 40.612 40.056 39.512 99999.999 130.639 119.952 110.759 102.789 95.819 89.675 84.223 79.352 74.976 71.023 67.436 64.165 61.172 58.422 53.542 52.653 51.790 50.951 50.136 49.344 48.574 47.825 47.096 46.385 45.694 45.020 44.363 43.722 43.097 42.487 41.892 41.310 40.742 40.186 39.643 Dy2O3(s) Dy2O3 P-T:All Wt.(g/mol) = 372.998 V(cc/mol) = 45.683 D(g/cc) = 8.165 Ref: RHF78 3 2.000 60 3.000 2 -6.000 1 53.157 46.980 41.700 37.149 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.157 46.980 41.700 37.149 33.181 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.159 46.982 41.702 37.151 33.183 29.684 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.162 46.985 41.705 37.154 33.186 29.686 26.565 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.168 46.990 41.710 37.159 33.191 29.691 26.570 23.756 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.177 46.999 41.718 37.167 33.198 29.699 26.578 23.764 21.201 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.190 47.012 41.731 37.178 33.210 29.711 26.590 23.777 21.214 18.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.210 47.030 41.748 37.195 33.226 29.727 26.607 23.794 21.232 18.871 16.660 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.236 47.055 41.772 37.218 33.249 29.750 26.630 23.818 21.258 18.899 16.692 14.594 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.271 47.089 41.804 37.249 33.279 29.780 26.660 23.850 21.291 18.936 16.735 14.645 12.642 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.317 47.132 41.846 37.290 33.318 29.819 26.700 23.891 21.335 18.983 16.790 14.711 12.719 10.848 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.375 47.188 41.899 37.341 33.369 29.868 26.750 23.943 21.390 19.044 16.859 14.795 12.821 10.933 9.366 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.420 47.231 41.940 37.380 33.407 29.907 26.789 23.983 21.432 19.089 16.911 14.859 12.900 11.016 9.215 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.483 47.291 41.998 37.436 33.462 29.961 26.844 24.040 21.492 19.154 16.985 14.948 13.012 11.148 9.262 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.545 47.351 42.055 37.491 33.515 30.014 26.898 24.095 21.550 19.217 17.056 15.033 13.119 11.283 9.406 16.012 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.606 47.410 42.112 37.546 33.568 30.067 26.951 24.150 21.608 19.279 17.126 15.116 13.223 11.416 9.581 10.741 12.770 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.667 47.468 42.167 37.599 33.621 30.118 27.003 24.203 21.664 19.339 17.193 15.196 13.322 11.545 9.762 9.486 10.052 11.250 13.081 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.726 47.525 42.222 37.652 33.672 30.169 27.054 24.256 21.719 19.398 17.259 15.272 13.416 11.667 9.939 8.943 9.046 9.441 10.214 11.345 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.784 47.582 42.276 37.704 33.723 30.220 27.105 24.308 21.773 19.456 17.322 15.345 13.505 11.781 10.104 8.655 8.548 8.606 8.877 9.394 10.133 10.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.841 47.638 42.330 37.756 33.773 30.269 27.155 24.359 21.826 19.512 17.384 15.416 13.589 11.887 10.256 8.489 8.267 8.151 8.170 8.347 8.694 9.190 9.771 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.898 47.692 42.383 37.807 33.823 30.318 27.204 24.409 21.878 19.567 17.444 15.483 13.668 11.984 10.392 8.392 8.098 7.881 7.755 7.738 7.842 8.070 8.404 8.807 9.224 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.953 47.747 42.435 37.857 33.872 30.367 27.252 24.459 21.929 19.622 17.502 15.548 13.743 12.074 10.513 8.338 7.997 7.713 7.498 7.361 7.313 7.360 7.500 7.721 7.998 8.300 8.597 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.008 47.800 42.486 37.907 33.921 30.415 27.300 24.507 21.980 19.675 17.559 15.611 13.813 12.156 10.620 8.312 7.937 7.608 7.333 7.118 6.970 6.895 6.897 6.972 7.110 7.297 7.512 7.738 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.062 47.853 42.537 37.956 33.968 30.462 27.347 24.555 22.029 19.727 17.615 15.671 13.880 12.231 10.712 8.305 7.906 7.545 7.227 6.957 6.741 6.583 6.486 6.451 6.476 6.553 6.673 6.823 6.991 7.170 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.115 47.906 42.588 38.005 34.016 30.508 27.394 24.603 22.078 19.778 17.669 15.729 13.942 12.299 10.792 8.312 7.894 7.509 7.161 6.852 6.587 6.368 6.201 6.085 6.021 6.007 6.038 6.107 6.207 6.329 6.469 99999.999 99999.999 99999.999 99999.999 99999.999 54.168 47.957 42.638 38.053 34.062 30.554 27.440 24.649 22.126 19.828 17.722 15.785 14.002 12.363 10.861 8.329 7.897 7.494 7.122 6.784 6.483 6.221 6.001 5.824 5.693 5.606 5.562 5.557 5.587 5.646 5.731 5.838 5.964 99999.999 99999.999 99999.999 54.220 48.008 42.687 38.100 34.109 30.600 27.485 24.695 22.174 19.877 17.774 15.839 14.059 12.421 10.922 8.353 7.910 7.493 7.103 6.743 6.415 6.120 5.860 5.638 5.454 5.310 5.205 5.137 5.104 5.103 5.131 5.185 5.263 5.363 99999.999 99999.999 54.271 48.059 42.736 38.148 34.154 30.645 27.530 24.741 22.220 19.926 17.824 15.892 14.113 12.477 10.977 8.383 7.931 7.502 7.099 6.722 6.372 6.052 5.762 5.505 5.281 5.091 4.936 4.816 4.729 4.674 4.648 4.650 4.679 4.731 4.808 4.909 54.321 48.109 42.784 38.194 34.200 30.689 27.575 24.786 22.266 19.974 17.874 15.944 14.167 12.531 11.029 8.417 7.958 7.521 7.106 6.715 6.349 6.009 5.696 5.411 5.155 4.930 4.735 4.572 4.439 4.337 4.263 4.218 4.199 4.205 4.236 4.291 54.790 48.579 43.241 38.636 34.629 31.110 27.992 25.206 22.696 20.417 18.335 16.423 14.662 13.036 11.532 8.855 8.368 7.896 7.439 6.996 6.566 6.151 5.749 5.361 4.986 4.624 4.275 3.939 3.617 3.308 3.012 2.730 2.461 2.206 1.964 1.736 55.207 49.007 43.659 39.041 35.022 31.495 28.372 25.585 23.079 20.809 18.740 16.843 15.097 13.484 11.991 9.317 8.827 8.351 7.887 7.436 6.997 6.569 6.153 5.747 5.351 4.965 4.589 4.222 3.865 3.515 3.175 2.842 2.518 2.201 1.892 1.591 55.583 49.400 44.046 39.417 35.388 31.851 28.723 25.933 23.429 21.164 19.104 17.218 15.485 13.884 12.403 9.747 9.259 8.785 8.323 7.872 7.434 7.006 6.588 6.180 5.782 5.393 5.013 4.641 4.276 3.919 3.570 3.227 2.890 2.560 2.236 1.918 55.927 49.767 44.410 39.771 35.731 32.186 29.051 26.258 23.753 21.491 19.436 17.559 15.835 14.246 12.775 10.140 9.656 9.185 8.726 8.279 7.843 7.418 7.003 6.598 6.202 5.814 5.436 5.065 4.702 4.345 3.996 3.653 3.317 2.986 2.661 2.340 56.244 50.112 44.753 40.107 36.057 32.503 29.361 26.564 24.056 21.795 19.743 17.872 16.156 14.576 13.115 10.499 10.019 9.552 9.096 8.653 8.221 7.799 7.387 6.986 6.593 6.209 5.834 5.466 5.106 4.753 4.407 4.067 3.733 3.405 3.083 2.766 56.541 50.440 45.081 40.426 36.368 32.806 29.657 26.854 24.343 22.081 20.031 18.163 16.453 14.880 13.427 10.829 10.352 9.888 9.436 8.996 8.568 8.149 7.741 7.343 6.954 6.574 6.202 5.838 5.481 5.132 4.790 4.454 4.124 3.800 3.481 3.168 56.820 50.753 45.395 40.734 36.667 33.097 29.940 27.131 24.617 22.353 20.302 18.437 16.731 15.163 13.717 11.133 10.659 10.199 9.750 9.313 8.888 8.473 8.068 7.673 7.287 6.910 6.542 6.181 5.828 5.482 5.143 4.811 4.484 4.164 3.849 3.540 99999.999 51.055 45.698 41.030 36.955 33.377 30.213 27.398 24.879 22.612 20.561 18.696 16.992 15.428 13.987 11.416 10.945 10.487 10.041 9.607 9.184 8.772 8.370 7.978 7.595 7.221 6.855 6.498 6.148 5.805 5.469 5.140 4.817 4.500 4.189 3.883 erbium Er P-T:All Wt.(g/mol) = 167.259 V(cc/mol) = 18.449 D(g/cc) = 9.066 Ref: RHF78 5 1.000 62 1.500 2 0.375 6 -3.375 1 -0.375 4 142.644 129.841 119.015 109.748 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.644 129.841 119.015 109.748 101.725 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.645 129.842 119.016 109.749 101.726 94.709 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.646 129.844 119.017 109.750 101.727 94.710 88.519 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.648 129.846 119.020 109.752 101.729 94.713 88.521 83.013 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.652 129.850 119.023 109.756 101.733 94.716 88.524 83.016 78.080 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.658 129.855 119.029 109.761 101.738 94.721 88.530 83.022 78.086 73.632 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.666 129.863 119.037 109.769 101.745 94.728 88.537 83.029 78.094 73.640 69.593 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.677 129.874 119.047 109.779 101.755 94.738 88.547 83.039 78.104 73.652 69.606 65.905 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.692 129.889 119.061 109.793 101.769 94.752 88.560 83.053 78.119 73.667 69.623 65.924 62.532 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.711 129.908 119.080 109.811 101.786 94.769 88.578 83.071 78.137 73.687 69.644 65.949 62.558 59.476 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.735 129.932 119.104 109.834 101.808 94.791 88.600 83.094 78.161 73.712 69.672 65.982 62.594 59.491 56.824 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.753 129.951 119.122 109.851 101.826 94.808 88.617 83.111 78.179 73.731 69.694 66.006 62.623 59.514 56.698 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.780 129.977 119.148 109.876 101.850 94.832 88.641 83.135 78.204 73.758 69.723 66.041 62.664 59.556 56.671 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.805 130.003 119.173 109.901 101.874 94.856 88.665 83.160 78.229 73.784 69.753 66.075 62.705 59.603 56.704 57.004 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.831 130.029 119.198 109.925 101.898 94.879 88.688 83.183 78.254 73.810 69.781 66.108 62.745 59.651 56.759 53.976 54.539 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.856 130.055 119.223 109.949 101.921 94.902 88.711 83.207 78.278 73.835 69.809 66.140 62.783 59.699 56.822 53.238 52.961 53.073 53.605 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.880 130.079 119.247 109.973 101.944 94.925 88.734 83.230 78.301 73.860 69.836 66.171 62.820 59.744 56.886 52.904 52.361 52.008 51.898 52.033 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.904 130.104 119.271 109.996 101.967 94.948 88.756 83.253 78.325 73.885 69.862 66.200 62.855 59.788 56.947 52.715 52.051 51.503 51.099 50.860 50.781 50.805 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.928 130.128 119.295 110.020 101.990 94.970 88.779 83.275 78.348 73.908 69.887 66.229 62.888 59.828 57.004 52.598 51.866 51.217 50.665 50.225 49.906 49.699 49.573 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.951 130.152 119.319 110.042 102.012 94.992 88.800 83.297 78.370 73.932 69.912 66.256 62.919 59.865 57.055 52.521 51.747 51.038 50.401 49.846 49.381 49.009 48.721 48.498 48.312 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.974 130.176 119.342 110.065 102.034 95.013 88.822 83.319 78.392 73.955 69.937 66.283 62.948 59.900 57.100 52.470 51.667 50.918 50.228 49.603 49.047 48.565 48.157 47.816 47.528 47.278 47.046 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.996 130.199 119.365 110.087 102.056 95.035 88.843 83.340 78.414 73.978 69.961 66.308 62.976 59.931 57.140 52.435 51.612 50.836 50.110 49.438 48.822 48.267 47.774 47.341 46.964 46.633 46.338 46.066 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.019 130.223 119.388 110.110 102.077 95.056 88.864 83.361 78.436 74.000 69.984 66.332 63.002 59.959 57.174 52.413 51.575 50.779 50.027 49.322 48.665 48.060 47.507 47.007 46.558 46.156 45.795 45.468 45.166 44.885 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.040 130.245 119.410 110.131 102.099 95.077 88.885 83.382 78.457 74.022 70.007 66.356 63.027 59.985 57.202 52.399 51.549 50.739 49.968 49.239 48.553 47.911 47.315 46.765 46.261 45.802 45.384 45.003 44.653 44.330 44.029 99999.999 99999.999 99999.999 99999.999 99999.999 143.062 130.268 119.432 110.153 102.120 95.098 88.906 83.403 78.478 74.043 70.029 66.379 63.051 60.009 57.227 52.392 51.533 50.711 49.926 49.179 48.470 47.802 47.173 46.587 46.041 45.537 45.071 44.643 44.247 43.882 43.543 43.228 42.933 99999.999 99999.999 99999.999 143.083 130.290 119.454 110.175 102.141 95.118 88.926 83.423 78.499 74.065 70.051 66.401 63.073 60.031 57.248 52.389 51.523 50.692 49.896 49.135 48.410 47.720 47.068 46.453 45.876 45.336 44.832 44.364 43.928 43.524 43.148 42.798 42.471 42.166 99999.999 99999.999 143.104 130.312 119.476 110.196 102.161 95.138 88.946 83.443 78.519 74.085 70.072 66.423 63.095 60.052 57.267 52.391 51.519 50.681 49.875 49.103 48.365 47.660 46.989 46.352 45.749 45.181 44.647 44.146 43.677 43.238 42.828 42.445 42.086 41.751 41.437 41.144 143.125 130.334 119.498 110.217 102.182 95.158 88.966 83.463 78.539 74.106 70.093 66.445 63.116 60.073 57.285 52.395 51.519 50.674 49.862 49.081 48.332 47.614 46.929 46.275 45.652 45.062 44.503 43.976 43.478 43.010 42.570 42.157 41.769 41.404 41.062 40.742 143.315 130.539 119.702 110.417 102.376 95.349 89.154 83.651 78.729 74.299 70.290 66.646 63.319 60.271 57.473 52.521 51.623 50.752 49.908 49.091 48.298 47.530 46.785 46.062 45.363 44.684 44.027 43.390 42.773 42.176 41.597 41.038 40.496 39.973 39.466 38.977 143.483 130.726 119.890 110.601 102.556 95.524 89.326 83.822 78.900 74.472 70.467 66.825 63.501 60.455 57.656 52.690 51.786 50.909 50.057 49.231 48.428 47.648 46.890 46.153 45.436 44.739 44.060 43.400 42.757 42.131 41.522 40.928 40.349 39.785 39.236 38.700 143.633 130.898 120.065 110.773 102.724 95.688 89.487 83.980 79.058 74.631 70.627 66.989 63.667 60.624 57.826 52.858 51.953 51.074 50.221 49.392 48.586 47.803 47.041 46.299 45.578 44.875 44.190 43.523 42.873 42.239 41.620 41.016 40.427 39.851 39.289 38.739 143.768 131.059 120.230 110.936 102.883 95.843 89.638 84.129 79.205 74.778 70.775 67.139 63.820 60.779 57.983 53.018 52.113 51.234 50.380 49.551 48.744 47.960 47.197 46.455 45.732 45.028 44.341 43.672 43.020 42.383 41.762 41.155 40.563 39.984 39.418 38.864 143.893 131.210 120.386 111.091 103.035 95.991 89.783 84.271 79.345 74.917 70.914 67.279 63.962 60.923 58.129 53.167 52.263 51.384 50.531 49.702 48.896 48.112 47.349 46.607 45.884 45.179 44.493 43.823 43.171 42.534 41.912 41.305 40.712 40.132 39.566 39.012 144.008 131.354 120.536 111.239 103.180 96.133 89.921 84.406 79.478 75.048 71.045 67.410 64.094 61.057 58.265 53.307 52.403 51.525 50.673 49.844 49.039 48.255 47.493 46.751 46.028 45.325 44.638 43.970 43.317 42.681 42.059 41.453 40.860 40.281 39.714 39.161 144.115 131.492 120.680 111.383 103.321 96.270 90.054 84.536 79.605 75.174 71.170 67.534 64.219 61.183 58.393 53.438 52.535 51.658 50.806 49.978 49.173 48.390 47.629 46.887 46.165 45.462 44.776 44.108 43.456 42.820 42.200 41.594 41.002 40.423 39.858 39.305 99999.999 131.625 120.819 111.521 103.457 96.403 90.184 84.662 79.729 75.295 71.290 67.654 64.338 61.303 58.513 53.561 52.659 51.782 50.931 50.104 49.299 48.517 47.756 47.015 46.294 45.591 44.906 44.239 43.588 42.952 42.332 41.727 41.136 40.558 39.993 39.441 Er2O3(s) Er2O3 P-T:All Wt.(g/mol) = 382.518 V(cc/mol) = 44.171 D(g/cc) = 8.660 Ref: RHF78 3 2.000 62 3.000 2 -6.000 1 48.053 42.170 37.130 32.779 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.053 42.170 37.131 32.779 28.979 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.054 42.172 37.132 32.780 28.981 25.626 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.058 42.175 37.135 32.783 28.984 25.629 22.634 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.064 42.181 37.141 32.788 28.989 25.634 22.639 19.934 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.073 42.190 37.149 32.797 28.997 25.642 22.647 19.943 17.475 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.087 42.203 37.162 32.809 29.009 25.654 22.659 19.955 17.489 15.210 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.107 42.223 37.180 32.827 29.026 25.672 22.677 19.973 17.508 15.231 13.096 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.135 42.249 37.205 32.851 29.050 25.695 22.700 19.998 17.534 15.260 13.129 11.097 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.172 42.284 37.239 32.883 29.081 25.726 22.732 20.031 17.569 15.298 13.173 11.150 9.207 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.219 42.329 37.282 32.925 29.122 25.767 22.773 20.074 17.614 15.347 13.229 11.218 9.286 7.472 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.280 42.387 37.338 32.978 29.174 25.819 22.826 20.128 17.671 15.409 13.300 11.304 9.390 7.557 6.053 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.326 42.432 37.380 33.019 29.215 25.859 22.866 20.169 17.715 15.457 13.354 11.369 9.470 7.641 5.895 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.392 42.495 37.441 33.078 29.271 25.915 22.923 20.228 17.777 15.524 13.430 11.460 9.584 7.775 5.939 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.456 42.557 37.500 33.135 29.327 25.970 22.979 20.286 17.837 15.589 13.504 11.548 9.694 7.913 6.084 13.060 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.520 42.619 37.559 33.192 29.383 26.025 23.034 20.342 17.896 15.653 13.575 11.633 9.801 8.049 6.262 7.622 9.748 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.582 42.679 37.617 33.248 29.437 26.079 23.088 20.398 17.954 15.715 13.645 11.715 9.902 8.180 6.446 6.329 6.945 8.212 10.138 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.644 42.739 37.675 33.303 29.491 26.132 23.142 20.453 18.012 15.776 13.712 11.793 9.998 8.304 6.626 5.768 5.907 6.346 7.175 8.375 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.705 42.798 37.731 33.357 29.544 26.185 23.195 20.507 18.068 15.835 13.778 11.869 10.089 8.421 6.794 5.471 5.392 5.484 5.795 6.359 7.153 8.060 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.764 42.856 37.787 33.411 29.596 26.236 23.246 20.559 18.123 15.894 13.841 11.941 10.176 8.529 6.949 5.299 5.102 5.015 5.064 5.277 5.665 6.208 6.839 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.823 42.913 37.842 33.464 29.648 26.287 23.298 20.612 18.177 15.951 13.903 12.011 10.257 8.629 7.088 5.199 4.928 4.735 4.636 4.648 4.785 5.049 5.424 5.869 6.331 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.881 42.970 37.896 33.517 29.699 26.338 23.348 20.663 18.230 16.007 13.964 12.077 10.333 8.720 7.211 5.142 4.822 4.561 4.370 4.258 4.238 4.315 4.488 4.745 5.060 5.401 5.737 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.938 43.026 37.950 33.569 29.750 26.387 23.398 20.714 18.282 16.062 14.022 12.142 10.406 8.804 7.320 5.115 4.760 4.452 4.199 4.006 3.883 3.834 3.864 3.969 4.140 4.360 4.610 4.871 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.994 43.081 38.003 33.620 29.800 26.437 23.447 20.763 18.333 16.116 14.080 12.204 10.474 8.881 7.414 5.107 4.727 4.386 4.089 3.840 3.646 3.511 3.439 3.430 3.483 3.589 3.739 3.920 4.121 4.332 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.050 43.135 38.056 33.671 29.849 26.485 23.495 20.813 18.384 16.169 14.136 12.263 10.538 8.951 7.496 5.113 4.714 4.349 4.020 3.731 3.486 3.289 3.143 3.051 3.012 3.023 3.081 3.178 3.306 3.457 3.627 99999.999 99999.999 99999.999 99999.999 99999.999 49.104 43.189 38.108 33.721 29.898 26.533 23.543 20.861 18.434 16.221 14.190 12.321 10.599 9.016 7.566 5.130 4.716 4.332 3.979 3.660 3.378 3.136 2.936 2.781 2.671 2.608 2.587 2.607 2.663 2.749 2.860 2.994 3.148 99999.999 99999.999 99999.999 49.158 43.242 38.159 33.771 29.946 26.580 23.590 20.909 18.483 16.272 14.244 12.377 10.658 9.077 7.629 5.154 4.729 4.330 3.959 3.617 3.307 3.030 2.790 2.587 2.424 2.301 2.217 2.171 2.162 2.184 2.237 2.315 2.418 2.545 99999.999 99999.999 49.211 43.295 38.210 33.820 29.994 26.627 23.637 20.956 18.532 16.322 14.296 12.432 10.714 9.134 7.685 5.185 4.750 4.340 3.954 3.594 3.262 2.960 2.688 2.449 2.244 2.074 1.939 1.839 1.773 1.739 1.736 1.761 1.812 1.888 1.989 2.113 49.264 43.347 38.260 33.868 30.041 26.674 23.683 21.003 18.579 16.372 14.348 12.486 10.769 9.189 7.739 5.219 4.778 4.358 3.961 3.587 3.238 2.915 2.619 2.351 2.113 1.906 1.730 1.585 1.472 1.389 1.336 1.312 1.314 1.341 1.394 1.471 49.753 43.838 38.737 34.329 30.488 27.112 24.118 21.440 19.025 16.831 14.824 12.980 11.280 9.709 8.256 5.668 5.197 4.740 4.298 3.870 3.456 3.054 2.666 2.292 1.930 1.581 1.245 0.922 0.613 0.316 0.033 -0.237 -0.494 -0.737 -0.967 -1.183 50.188 44.284 39.173 34.752 30.899 27.513 24.513 21.834 19.424 17.238 15.244 13.415 11.729 10.171 8.728 6.142 5.667 5.206 4.757 4.321 3.895 3.481 3.078 2.685 2.301 1.928 1.563 1.208 0.861 0.523 0.193 -0.129 -0.444 -0.750 -1.050 -1.342 50.580 44.695 39.578 35.145 31.280 27.885 24.879 22.197 19.787 17.607 15.621 13.803 12.130 10.584 9.153 6.584 6.112 5.652 5.205 4.768 4.343 3.929 3.524 3.129 2.742 2.365 1.996 1.634 1.281 0.934 0.594 0.261 -0.066 -0.387 -0.702 -1.012 50.939 45.078 39.958 35.514 31.639 28.234 25.221 22.535 20.124 17.946 15.966 14.156 12.493 10.958 9.537 6.988 6.520 6.064 5.619 5.186 4.764 4.352 3.950 3.556 3.172 2.797 2.429 2.069 1.716 1.370 1.030 0.697 0.369 0.047 -0.269 -0.581 51.271 45.439 40.316 35.864 31.979 28.565 25.544 22.853 20.440 18.262 16.285 14.480 12.825 11.299 9.888 7.358 6.894 6.441 6.000 5.571 5.152 4.743 4.344 3.955 3.574 3.201 2.837 2.480 2.130 1.787 1.451 1.120 0.796 0.477 0.163 -0.147 51.581 45.781 40.658 36.198 32.303 28.881 25.852 23.156 20.739 18.559 16.584 14.783 13.133 11.614 10.211 7.698 7.237 6.788 6.351 5.925 5.509 5.104 4.709 4.322 3.945 3.576 3.215 2.862 2.516 2.176 1.843 1.517 1.196 0.880 0.570 0.265 51.874 46.108 40.986 36.519 32.615 29.184 26.148 23.445 21.023 18.842 16.866 15.067 13.421 11.907 10.511 8.013 7.554 7.108 6.674 6.251 5.839 5.437 5.045 4.662 4.288 3.922 3.564 3.214 2.872 2.536 2.206 1.883 1.566 1.254 0.948 0.646 99999.999 46.424 41.302 36.828 32.916 29.476 26.432 23.723 21.297 19.112 17.135 15.336 13.692 12.182 10.791 8.305 7.849 7.406 6.974 6.554 6.145 5.746 5.356 4.976 4.605 4.242 3.887 3.540 3.201 2.868 2.542 2.222 1.908 1.599 1.296 0.998 europium Eu P-T:All Wt.(g/mol) = 151.964 V(cc/mol) = 28.970 D(g/cc) = 5.246 Ref: RHF78 5 1.000 57 1.500 2 0.375 6 -3.375 1 -0.375 4 124.491 113.275 103.789 95.666 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 124.491 113.275 103.789 95.666 88.633 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 124.492 113.276 103.789 95.667 88.634 82.482 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 124.494 113.278 103.791 95.669 88.635 82.484 77.054 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 124.497 113.281 103.794 95.671 88.638 82.486 77.057 72.225 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 124.502 113.286 103.799 95.676 88.642 82.490 77.061 72.229 67.898 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 124.509 113.293 103.805 95.682 88.649 82.497 77.067 72.235 67.904 63.994 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 124.519 113.303 103.815 95.692 88.658 82.506 77.076 72.244 67.913 64.004 60.449 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 124.534 113.317 103.829 95.705 88.670 82.518 77.088 72.256 67.926 64.017 60.463 57.210 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 124.553 113.336 103.847 95.722 88.687 82.534 77.104 72.272 67.942 64.034 60.482 57.231 54.247 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 124.578 113.360 103.870 95.744 88.708 82.555 77.125 72.294 67.964 64.057 60.506 57.258 54.275 51.563 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 124.610 113.392 103.900 95.773 88.736 82.582 77.152 72.320 67.991 64.085 60.537 57.293 54.313 51.581 49.238 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 124.634 113.416 103.923 95.795 88.758 82.603 77.172 72.341 68.012 64.107 60.561 57.320 54.344 51.607 49.127 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 124.669 113.450 103.956 95.827 88.788 82.633 77.201 72.370 68.042 64.138 60.594 57.358 54.388 51.652 49.108 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 124.703 113.484 103.989 95.858 88.818 82.662 77.230 72.399 68.071 64.169 60.627 57.395 54.432 51.701 49.145 49.640 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 124.737 113.517 104.021 95.889 88.848 82.691 77.259 72.428 68.100 64.198 60.659 57.431 54.474 51.752 49.202 46.858 47.415 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 124.771 113.551 104.053 95.919 88.877 82.720 77.287 72.456 68.129 64.228 60.691 57.466 54.515 51.801 49.267 46.182 45.966 46.105 46.625 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 124.804 113.583 104.084 95.950 88.907 82.748 77.315 72.484 68.157 64.257 60.721 57.500 54.555 51.849 49.332 45.878 45.416 45.128 45.062 45.217 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 124.837 113.616 104.116 95.980 88.936 82.776 77.343 72.512 68.185 64.285 60.751 57.533 54.592 51.895 49.394 45.708 45.135 44.667 44.330 44.144 44.102 44.151 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 124.869 113.648 104.147 96.010 88.964 82.804 77.370 72.539 68.212 64.313 60.781 57.565 54.628 51.938 49.452 45.605 44.969 44.408 43.935 43.564 43.302 43.142 43.053 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 124.901 113.680 104.177 96.039 88.993 82.832 77.397 72.566 68.239 64.341 60.810 57.596 54.663 51.978 49.505 45.538 44.863 44.247 43.696 43.219 42.824 42.512 42.277 42.099 41.952 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 124.932 113.711 104.208 96.068 89.021 82.859 77.424 72.592 68.266 64.368 60.838 57.626 54.695 52.015 49.553 45.496 44.794 44.141 43.541 42.999 42.520 42.108 41.763 41.477 41.240 41.034 40.843 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 124.964 113.743 104.238 96.097 89.049 82.886 77.451 72.619 68.293 64.395 60.865 57.655 54.726 52.049 49.594 45.468 44.748 44.070 43.436 42.851 42.317 41.838 41.415 41.046 40.727 40.448 40.201 39.974 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 124.995 113.774 104.268 96.126 89.076 82.913 77.477 72.645 68.319 64.422 60.893 57.683 54.756 52.080 49.631 45.452 44.718 44.021 43.364 42.749 42.177 41.651 41.173 40.742 40.357 40.015 39.709 39.432 39.177 38.940 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 125.025 113.804 104.298 96.155 89.104 82.940 77.503 72.671 68.345 64.448 60.919 57.710 54.784 52.109 49.662 45.444 44.699 43.989 43.314 42.677 42.077 41.518 41.000 40.524 40.089 39.694 39.335 39.010 38.712 38.437 38.182 99999.999 99999.999 99999.999 99999.999 99999.999 125.055 113.835 104.327 96.183 89.131 82.966 77.529 72.696 68.370 64.474 60.945 57.737 54.811 52.136 49.690 45.442 44.689 43.968 43.280 42.625 42.006 41.422 40.874 40.364 39.891 39.454 39.052 38.683 38.344 38.032 37.743 37.474 37.223 99999.999 99999.999 99999.999 125.085 113.865 104.356 96.211 89.158 82.992 77.555 72.721 68.395 64.499 60.971 57.763 54.837 52.162 49.715 45.445 44.684 43.955 43.256 42.589 41.954 41.351 40.781 40.245 39.742 39.273 38.836 38.431 38.056 37.708 37.385 37.085 36.805 36.545 99999.999 99999.999 125.115 113.895 104.385 96.239 89.185 83.018 77.580 72.747 68.420 64.524 60.997 57.789 54.862 52.186 49.737 45.451 44.685 43.949 43.242 42.565 41.917 41.300 40.713 40.156 39.630 39.135 38.670 38.235 37.829 37.450 37.096 36.766 36.457 36.170 35.901 35.652 125.144 113.925 104.414 96.267 89.212 83.044 77.605 72.771 68.445 64.549 61.022 57.814 54.887 52.210 49.759 45.460 44.689 43.947 43.234 42.549 41.891 41.262 40.661 40.089 39.545 39.029 38.542 38.082 37.650 37.244 36.863 36.505 36.170 35.856 35.562 35.287 125.423 114.210 104.692 96.534 89.469 83.293 77.847 73.009 68.682 64.786 61.260 58.053 55.125 52.444 49.980 45.621 44.830 44.063 43.321 42.601 41.903 41.226 40.571 39.935 39.319 38.722 38.143 37.583 37.041 36.515 36.007 35.515 35.039 34.579 34.134 33.705 125.680 114.477 104.954 96.786 89.712 83.527 78.074 73.232 68.901 65.004 61.478 58.272 55.345 52.663 50.196 45.821 45.024 44.251 43.501 42.772 42.065 41.377 40.709 40.059 39.427 38.812 38.214 37.632 37.065 36.513 35.975 35.451 34.941 34.443 33.959 33.486 125.919 114.731 105.203 97.027 89.944 83.750 78.291 73.442 69.107 65.208 61.682 58.476 55.549 52.867 50.400 46.020 45.222 44.447 43.694 42.963 42.252 41.561 40.888 40.234 39.597 38.977 38.373 37.784 37.209 36.649 36.103 35.570 35.049 34.541 34.044 33.558 126.145 114.973 105.443 97.259 90.167 83.965 78.498 73.643 69.304 65.402 61.873 58.667 55.741 53.059 50.592 46.211 45.412 44.636 43.883 43.151 42.439 41.746 41.073 40.417 39.778 39.156 38.550 37.959 37.382 36.820 36.271 35.734 35.211 34.699 34.198 33.709 126.359 115.206 105.674 97.483 90.383 84.173 78.698 73.838 69.493 65.587 62.056 58.848 55.921 53.239 50.773 46.392 45.593 44.817 44.064 43.331 42.619 41.926 41.252 40.596 39.957 39.335 38.728 38.136 37.559 36.996 36.446 35.909 35.384 34.871 34.370 33.879 126.565 115.432 105.899 97.702 90.593 84.375 78.893 74.026 69.676 65.766 62.232 59.022 56.094 53.411 50.945 46.564 45.765 44.989 44.236 43.503 42.791 42.098 41.424 40.768 40.129 39.507 38.900 38.308 37.731 37.167 36.617 36.080 35.556 35.043 34.541 34.051 126.764 115.653 106.119 97.915 90.798 84.573 79.084 74.210 69.854 65.939 62.401 59.189 56.259 53.575 51.109 46.728 45.929 45.153 44.399 43.667 42.955 42.262 41.589 40.932 40.293 39.671 39.064 38.473 37.896 37.332 36.783 36.246 35.721 35.209 34.708 34.218 99999.999 115.868 106.334 98.124 91.000 84.766 79.270 74.389 70.028 66.108 62.566 59.351 56.418 53.733 51.266 46.884 46.085 45.309 44.556 43.823 43.111 42.419 41.745 41.089 40.450 39.828 39.221 38.630 38.053 37.490 36.940 36.404 35.880 35.367 34.867 34.377 Eu2O3(s) Eu2O3 P-T:All Wt.(g/mol) = 351.918 V(cc/mol) = 44.020 D(g/cc) = 7.995 Ref: RHF78 3 2.000 57 3.000 2 -6.000 1 60.147 53.489 47.787 42.863 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.147 53.489 47.787 42.863 38.564 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.148 53.490 47.788 42.864 38.565 34.770 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.152 53.493 47.791 42.867 38.568 34.773 31.385 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.157 53.499 47.796 42.872 38.573 34.777 31.390 28.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.166 53.507 47.805 42.880 38.581 34.785 31.397 28.342 25.558 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.180 53.520 47.817 42.892 38.592 34.796 31.409 28.354 25.571 23.006 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.199 53.538 47.834 42.909 38.608 34.813 31.425 28.371 25.589 23.026 20.630 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.225 53.563 47.858 42.932 38.631 34.835 31.448 28.395 25.614 23.053 20.661 18.392 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.260 53.597 47.890 42.962 38.661 34.865 31.478 28.426 25.647 23.089 20.703 18.443 16.280 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.305 53.640 47.931 43.002 38.700 34.904 31.518 28.467 25.690 23.136 20.757 18.508 16.357 14.332 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.363 53.695 47.984 43.053 38.749 34.953 31.568 28.518 25.745 23.196 20.825 18.590 16.457 14.418 12.687 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.407 53.738 48.025 43.092 38.788 34.991 31.606 28.558 25.786 23.241 20.877 18.653 16.535 14.501 12.551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.470 53.798 48.082 43.147 38.842 35.044 31.660 28.614 25.845 23.305 20.949 18.740 16.644 14.631 12.603 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.532 53.857 48.139 43.202 38.895 35.097 31.713 28.668 25.903 23.367 21.020 18.824 16.750 14.764 12.748 18.558 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.592 53.916 48.195 43.256 38.948 35.149 31.766 28.722 25.959 23.428 21.088 18.906 16.852 14.895 12.920 13.605 15.432 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.652 53.973 48.250 43.309 38.999 35.200 31.817 28.775 26.014 23.487 21.154 18.984 16.949 15.021 13.099 12.426 12.879 13.925 15.558 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.710 54.030 48.305 43.362 39.051 35.251 31.868 28.827 26.069 23.545 21.218 19.059 17.041 15.141 13.272 11.918 11.934 12.228 12.876 13.855 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.768 54.086 48.358 43.414 39.101 35.301 31.918 28.878 26.122 23.602 21.281 19.131 17.129 15.252 13.434 11.650 11.469 11.445 11.623 12.031 12.646 13.356 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.825 54.141 48.411 43.465 39.151 35.350 31.967 28.929 26.174 23.657 21.342 19.200 17.211 15.356 13.582 11.497 11.208 11.021 10.961 11.051 11.301 11.691 12.156 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.880 54.195 48.464 43.515 39.200 35.398 32.016 28.978 26.225 23.712 21.401 19.266 17.289 15.452 13.716 11.410 11.053 10.770 10.575 10.483 10.506 10.645 10.884 11.186 11.499 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.935 54.249 48.515 43.565 39.248 35.446 32.064 29.027 26.276 23.765 21.458 19.330 17.362 15.540 13.835 11.362 10.961 10.616 10.336 10.132 10.012 9.983 10.042 10.176 10.363 10.572 10.774 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.990 54.302 48.566 43.614 39.296 35.493 32.111 29.075 26.326 23.817 21.514 19.391 17.431 15.620 13.939 11.341 10.908 10.520 10.184 9.907 9.693 9.550 9.480 9.479 9.538 9.642 9.772 9.912 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.043 54.355 48.617 43.663 39.344 35.540 32.158 29.122 26.375 23.868 21.569 19.450 17.496 15.694 14.029 11.338 10.882 10.464 10.088 9.759 9.482 9.260 9.098 8.994 8.948 8.951 8.994 9.066 9.155 9.253 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.096 54.406 48.667 43.711 39.391 35.586 32.204 29.169 26.423 23.919 21.622 19.507 17.557 15.761 14.108 11.347 10.874 10.434 10.029 9.664 9.340 9.063 8.834 8.655 8.526 8.444 8.405 8.403 8.429 8.477 8.542 99999.999 99999.999 99999.999 99999.999 99999.999 61.147 54.458 48.716 43.759 39.437 35.632 32.249 29.215 26.470 23.968 21.674 19.562 17.616 15.823 14.176 11.366 10.880 10.422 9.996 9.603 9.246 8.928 8.650 8.414 8.222 8.072 7.964 7.893 7.855 7.846 7.861 7.898 7.954 99999.999 99999.999 99999.999 61.199 54.508 48.765 43.806 39.483 35.677 32.294 29.260 26.517 24.017 21.725 19.616 17.672 15.881 14.236 11.392 10.895 10.425 9.982 9.568 9.186 8.836 8.521 8.243 8.002 7.799 7.633 7.503 7.408 7.343 7.306 7.294 7.306 7.340 99999.999 99999.999 61.249 54.558 48.813 43.852 39.528 35.721 32.338 29.305 26.563 24.064 21.775 19.668 17.726 15.936 14.291 11.423 10.918 10.437 9.981 9.551 9.149 8.776 8.433 8.121 7.842 7.597 7.385 7.207 7.061 6.946 6.859 6.800 6.766 6.756 6.769 6.806 61.299 54.607 48.861 43.898 39.573 35.765 32.382 29.350 26.608 24.111 21.824 19.719 17.779 15.989 14.342 11.458 10.946 10.457 9.991 9.548 9.131 8.739 8.374 8.036 7.728 7.449 7.200 6.982 6.794 6.634 6.504 6.400 6.322 6.269 6.240 6.235 61.761 55.072 49.312 44.335 39.997 36.181 32.794 29.764 27.031 24.547 22.276 20.190 18.265 16.485 14.838 11.895 11.358 10.836 10.330 9.839 9.363 8.901 8.453 8.020 7.600 7.194 6.801 6.422 6.057 5.705 5.367 5.042 4.731 4.434 4.151 3.881 62.172 55.494 49.725 44.735 40.385 36.560 33.168 30.138 27.408 24.933 22.674 20.602 18.691 16.925 15.288 12.349 11.810 11.285 10.773 10.275 9.790 9.317 8.856 8.407 7.968 7.540 7.122 6.715 6.316 5.928 5.548 5.177 4.814 4.460 4.114 3.776 62.541 55.882 50.107 45.106 40.745 36.912 33.514 30.480 27.752 25.282 23.031 20.969 19.071 17.318 15.692 12.771 12.234 11.711 11.201 10.704 10.220 9.747 9.285 8.834 8.394 7.963 7.542 7.129 6.725 6.329 5.942 5.561 5.188 4.821 4.461 4.108 62.877 56.242 50.465 45.455 41.084 37.241 33.837 30.800 28.070 25.602 23.357 21.303 19.415 17.672 16.056 13.156 12.622 12.103 11.596 11.103 10.621 10.151 9.692 9.244 8.805 8.377 7.957 7.546 7.144 6.749 6.362 5.982 5.608 5.241 4.881 4.526 63.187 56.581 50.803 45.785 41.405 37.553 34.142 31.100 28.368 25.901 23.659 21.610 19.729 17.995 16.389 13.507 12.977 12.461 11.958 11.468 10.990 10.524 10.068 9.623 9.188 8.763 8.347 7.939 7.540 7.148 6.764 6.387 6.017 5.653 5.295 4.943 63.476 56.902 51.125 46.099 41.710 37.851 34.433 31.385 28.650 26.182 23.941 21.896 20.020 18.292 16.694 13.829 13.303 12.790 12.291 11.804 11.329 10.866 10.414 9.973 9.541 9.119 8.707 8.303 7.907 7.519 7.138 6.765 6.399 6.039 5.685 5.337 63.748 57.209 51.433 46.401 42.004 38.136 34.711 31.657 28.919 26.448 24.207 22.164 20.292 18.569 16.977 14.127 13.603 13.093 12.597 12.113 11.642 11.182 10.733 10.295 9.866 9.448 9.038 8.638 8.245 7.861 7.484 7.114 6.751 6.395 6.045 5.700 99999.999 57.505 51.730 46.692 42.287 38.411 34.979 31.919 29.176 26.703 24.460 22.417 20.548 18.829 17.242 14.403 13.882 13.375 12.881 12.400 11.931 11.474 11.028 10.592 10.167 9.751 9.345 8.947 8.557 8.176 7.802 7.435 7.076 6.723 6.376 6.035 EuO(s) EuO P-T:All Wt.(g/mol) = 167.959 V(cc/mol) = 20.475 D(g/cc) = 8.203 Ref: RHF78 5 1.000 57 1.500 2 0.125 6 -3.125 1 -0.125 4 54.275 48.984 44.484 40.618 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.275 48.984 44.484 40.618 37.259 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.276 48.985 44.485 40.619 37.259 34.310 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.278 48.986 44.486 40.620 37.261 34.311 31.695 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.280 48.989 44.489 40.622 37.263 34.313 31.698 29.357 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.284 48.993 44.493 40.626 37.267 34.317 31.701 29.360 27.247 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.290 48.999 44.498 40.632 37.272 34.322 31.707 29.366 27.253 25.327 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.299 49.007 44.507 40.639 37.280 34.330 31.715 29.374 27.261 25.337 23.564 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.311 49.019 44.518 40.650 37.290 34.341 31.725 29.385 27.273 25.349 23.579 21.930 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.327 49.034 44.533 40.665 37.304 34.355 31.739 29.400 27.288 25.366 23.598 21.953 20.414 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.348 49.055 44.552 40.684 37.323 34.373 31.758 29.419 27.308 25.388 23.623 21.983 20.448 19.031 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.375 49.081 44.577 40.707 37.346 34.396 31.781 29.443 27.334 25.415 23.654 22.020 20.493 19.064 17.856 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.395 49.100 44.596 40.726 37.364 34.414 31.799 29.461 27.353 25.436 23.678 22.049 20.527 19.099 17.772 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.424 49.128 44.623 40.752 37.390 34.439 31.825 29.487 27.381 25.466 23.711 22.089 20.577 19.156 17.782 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.452 49.156 44.650 40.778 37.415 34.464 31.850 29.513 27.407 25.495 23.743 22.127 20.625 19.215 17.840 20.210 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.480 49.183 44.676 40.803 37.439 34.488 31.874 29.538 27.434 25.523 23.775 22.165 20.671 19.274 17.916 17.630 18.474 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.507 49.210 44.702 40.828 37.464 34.512 31.899 29.563 27.460 25.550 23.806 22.201 20.715 19.331 17.995 17.010 17.138 17.581 18.345 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.534 49.237 44.727 40.853 37.488 34.536 31.922 29.588 27.485 25.577 23.835 22.235 20.757 19.385 18.073 16.738 16.639 16.688 16.928 17.352 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.561 49.263 44.753 40.877 37.512 34.560 31.946 29.612 27.510 25.604 23.864 22.268 20.797 19.436 18.146 16.591 16.388 16.272 16.265 16.385 16.620 16.915 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.587 49.289 44.778 40.901 37.535 34.583 31.969 29.635 27.534 25.630 23.892 22.300 20.835 19.483 18.213 16.504 16.244 16.043 15.911 15.863 15.903 16.023 16.190 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.612 49.314 44.802 40.925 37.558 34.606 31.992 29.658 27.558 25.655 23.920 22.331 20.871 19.526 18.274 16.451 16.156 15.904 15.702 15.557 15.477 15.463 15.506 15.588 15.683 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.637 49.339 44.826 40.949 37.581 34.628 32.014 29.681 27.582 25.680 23.946 22.360 20.904 19.566 18.327 16.419 16.101 15.816 15.569 15.366 15.210 15.106 15.052 15.043 15.065 15.105 15.147 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.662 49.364 44.850 40.972 37.604 34.650 32.037 29.704 27.605 25.704 23.972 22.388 20.936 19.603 18.374 16.402 16.066 15.759 15.482 15.240 15.035 14.870 14.748 14.665 14.618 14.599 14.598 14.605 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.687 49.388 44.874 40.995 37.626 34.672 32.059 29.726 27.628 25.728 23.998 22.415 20.966 19.636 18.415 16.394 16.046 15.722 15.425 15.155 14.916 14.710 14.538 14.401 14.297 14.223 14.173 14.141 14.122 14.111 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.711 49.412 44.898 41.017 37.648 34.694 32.080 29.748 27.651 25.751 24.022 22.442 20.994 19.666 18.450 16.393 16.036 15.700 15.387 15.098 14.834 14.599 14.391 14.214 14.066 13.945 13.851 13.779 13.724 13.684 13.655 99999.999 99999.999 99999.999 99999.999 99999.999 54.734 49.436 44.921 41.040 37.670 34.716 32.102 29.770 27.673 25.774 24.046 22.467 21.020 19.695 18.481 16.397 16.033 15.688 15.363 15.059 14.778 14.520 14.287 14.079 13.897 13.740 13.608 13.499 13.409 13.337 13.280 13.237 13.205 99999.999 99999.999 99999.999 54.758 49.460 44.944 41.062 37.692 34.737 32.123 29.791 27.695 25.797 24.070 22.492 21.046 19.721 18.507 16.405 16.035 15.683 15.349 15.034 14.739 14.465 14.212 13.981 13.773 13.587 13.425 13.283 13.163 13.060 12.975 12.904 12.848 12.805 99999.999 99999.999 54.781 49.483 44.966 41.084 37.713 34.758 32.144 29.812 27.716 25.819 24.093 22.516 21.071 19.746 18.531 16.415 16.041 15.683 15.342 15.019 14.713 14.426 14.158 13.909 13.681 13.473 13.285 13.118 12.970 12.841 12.728 12.632 12.551 12.484 12.431 12.390 54.803 49.506 44.989 41.106 37.734 34.778 32.164 29.833 27.737 25.841 24.116 22.539 21.095 19.769 18.554 16.429 16.051 15.688 15.342 15.011 14.697 14.400 14.120 13.857 13.613 13.387 13.180 12.991 12.820 12.667 12.531 12.411 12.306 12.216 12.140 12.077 55.014 49.722 45.201 41.311 37.934 34.974 32.359 30.028 27.936 26.045 24.327 22.758 21.319 19.996 18.777 16.613 16.220 15.839 15.469 15.111 14.764 14.428 14.102 13.787 13.482 13.186 12.901 12.625 12.359 12.102 11.854 11.616 11.387 11.167 10.956 10.754 55.199 49.918 45.394 41.500 38.117 35.154 32.535 30.204 28.113 26.227 24.513 22.950 21.517 20.199 18.983 16.816 16.421 16.036 15.663 15.300 14.947 14.603 14.269 13.944 13.627 13.319 13.019 12.726 12.441 12.163 11.892 11.628 11.370 11.118 10.873 10.634 55.365 50.098 45.574 41.675 38.288 35.320 32.699 30.366 28.276 26.391 24.681 23.122 21.694 20.381 19.169 17.008 16.613 16.229 15.855 15.492 15.138 14.794 14.459 14.132 13.813 13.502 13.198 12.902 12.613 12.330 12.054 11.783 11.519 11.260 11.006 10.757 55.515 50.265 45.742 41.839 38.448 35.476 32.852 30.517 28.426 26.542 24.834 23.278 21.854 20.546 19.339 17.185 16.791 16.408 16.036 15.673 15.321 14.977 14.642 14.316 13.997 13.687 13.383 13.087 12.797 12.514 12.237 11.966 11.701 11.440 11.185 10.935 55.654 50.422 45.900 41.995 38.600 35.624 32.996 30.659 28.567 26.683 24.976 23.423 22.002 20.697 19.494 17.348 16.955 16.574 16.202 15.841 15.490 15.147 14.814 14.489 14.171 13.862 13.559 13.264 12.976 12.693 12.417 12.147 11.883 11.623 11.369 11.120 55.782 50.571 46.051 42.144 38.745 35.766 33.134 30.795 28.701 26.816 25.110 23.557 22.139 20.836 19.636 17.498 17.106 16.726 16.356 15.996 15.646 15.305 14.973 14.649 14.333 14.025 13.724 13.430 13.143 12.862 12.587 12.318 12.055 11.797 11.545 11.297 55.902 50.713 46.196 42.287 38.884 35.901 33.267 30.924 28.828 26.942 25.236 23.684 22.267 20.967 19.769 17.636 17.246 16.867 16.499 16.140 15.791 15.451 15.120 14.798 14.483 14.176 13.876 13.584 13.298 13.018 12.745 12.478 12.216 11.960 11.708 11.462 99999.999 50.849 46.336 42.424 39.019 36.032 33.394 31.049 28.951 27.063 25.356 23.804 22.388 21.089 19.894 17.765 17.377 16.999 16.631 16.274 15.926 15.587 15.257 14.936 14.622 14.316 14.018 13.727 13.442 13.164 12.892 12.625 12.365 12.110 11.860 11.615 gadolinium Gd P-T:All Wt.(g/mol) = 157.253 V(cc/mol) = 19.890 D(g/cc) = 7.906 Ref: RHF78 5 1.000 58 1.500 2 0.375 6 -3.375 1 -0.375 4 141.398 128.888 118.308 109.251 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.398 128.888 118.308 109.251 101.408 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.399 128.889 118.309 109.251 101.409 94.551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.400 128.891 118.310 109.253 101.410 94.552 88.499 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.402 128.893 118.313 109.255 101.412 94.554 88.501 83.117 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.406 128.896 118.316 109.258 101.416 94.557 88.505 83.120 78.295 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.412 128.902 118.321 109.263 101.421 94.562 88.509 83.125 78.300 73.947 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.419 128.910 118.329 109.271 101.428 94.569 88.517 83.132 78.308 73.955 69.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.430 128.920 118.339 109.280 101.437 94.579 88.526 83.142 78.318 73.966 70.011 66.394 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.444 128.934 118.353 109.294 101.450 94.591 88.539 83.155 78.332 73.980 70.027 66.413 63.097 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.463 128.953 118.371 109.311 101.467 94.608 88.556 83.172 78.349 73.999 70.048 66.437 63.122 60.107 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.486 128.976 118.393 109.333 101.489 94.629 88.577 83.194 78.372 74.023 70.075 66.467 63.156 60.121 57.501 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.504 128.994 118.411 109.350 101.505 94.645 88.593 83.211 78.389 74.041 70.095 66.491 63.184 60.144 57.386 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.529 129.020 118.436 109.374 101.529 94.669 88.616 83.234 78.414 74.067 70.123 66.524 63.223 60.184 57.363 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.554 129.045 118.460 109.398 101.552 94.691 88.639 83.257 78.437 74.092 70.151 66.557 63.262 60.229 57.395 57.442 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.579 129.070 118.484 109.421 101.575 94.714 88.662 83.280 78.461 74.117 70.178 66.588 63.300 60.276 57.449 54.630 55.109 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.603 129.094 118.508 109.444 101.597 94.736 88.684 83.303 78.484 74.141 70.205 66.619 63.337 60.321 57.509 53.944 53.643 53.704 54.152 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.626 129.118 118.532 109.467 101.619 94.758 88.706 83.325 78.507 74.165 70.231 66.648 63.372 60.365 57.570 53.633 53.085 52.715 52.571 52.652 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.650 129.142 118.555 109.490 101.641 94.779 88.727 83.346 78.529 74.188 70.256 66.676 63.405 60.406 57.629 53.458 52.797 52.246 51.828 51.566 51.451 51.430 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.673 129.165 118.578 109.512 101.663 94.801 88.748 83.368 78.551 74.211 70.280 66.703 63.437 60.445 57.683 53.349 52.626 51.980 51.425 50.976 50.639 50.407 50.249 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.695 129.189 118.601 109.534 101.685 94.822 88.769 83.389 78.573 74.234 70.304 66.730 63.467 60.481 57.732 53.278 52.515 51.813 51.180 50.624 50.153 49.768 49.462 49.216 49.003 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.717 129.211 118.623 109.556 101.706 94.843 88.790 83.410 78.594 74.256 70.328 66.755 63.495 60.513 57.775 53.231 52.442 51.703 51.020 50.398 49.843 49.356 48.939 48.584 48.280 48.009 47.756 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.739 129.234 118.645 109.577 101.727 94.863 88.811 83.431 78.615 74.278 70.350 66.779 63.521 60.543 57.813 53.200 52.391 51.627 50.911 50.246 49.634 49.080 48.584 48.145 47.758 47.415 47.104 46.815 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.761 129.256 118.667 109.599 101.748 94.884 88.831 83.451 78.636 74.299 70.373 66.803 63.547 60.571 57.845 53.180 52.357 51.574 50.834 50.138 49.489 48.888 48.336 47.835 47.382 46.973 46.603 46.264 45.950 45.653 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.782 129.278 118.689 109.620 101.768 94.904 88.851 83.471 78.656 74.320 70.394 66.825 63.570 60.595 57.873 53.167 52.334 51.538 50.780 50.062 49.385 48.750 48.158 47.611 47.107 46.646 46.223 45.835 45.476 45.143 44.830 99999.999 99999.999 99999.999 99999.999 99999.999 141.803 129.300 118.711 109.641 101.788 94.924 88.870 83.491 78.676 74.340 70.416 66.847 63.593 60.618 57.897 53.161 52.319 51.512 50.741 50.006 49.309 48.649 48.028 47.446 46.904 46.400 45.934 45.502 45.102 44.730 44.383 44.058 43.753 99999.999 99999.999 99999.999 141.823 129.322 118.732 109.662 101.809 94.944 88.890 83.510 78.696 74.361 70.436 66.869 63.614 60.640 57.917 53.160 52.311 51.496 50.714 49.966 49.253 48.574 47.931 47.323 46.751 46.214 45.712 45.244 44.807 44.399 44.018 43.662 43.327 43.014 99999.999 99999.999 141.843 129.343 118.753 109.682 101.829 94.963 88.909 83.530 78.716 74.381 70.457 66.890 63.635 60.660 57.935 53.162 52.307 51.485 50.695 49.938 49.212 48.518 47.857 47.229 46.634 46.071 45.541 45.043 44.574 44.135 43.723 43.336 42.973 42.632 42.311 42.011 141.863 129.364 118.774 109.702 101.848 94.982 88.928 83.549 78.735 74.401 70.477 66.910 63.656 60.679 57.953 53.167 52.308 51.480 50.683 49.917 49.182 48.477 47.802 47.158 46.544 45.961 45.408 44.885 44.391 43.924 43.484 43.070 42.680 42.312 41.966 41.640 142.048 129.563 118.972 109.895 102.036 95.166 89.110 83.729 78.917 74.586 70.666 67.103 63.849 60.870 58.133 53.290 52.410 51.558 50.733 49.932 49.156 48.404 47.674 46.967 46.281 45.616 44.972 44.347 43.742 43.155 42.588 42.038 41.506 40.991 40.493 40.011 142.212 129.745 119.154 110.074 102.210 95.336 89.276 83.894 79.082 74.752 70.836 67.275 64.025 61.046 58.308 53.452 52.567 51.709 50.877 50.068 49.283 48.519 47.778 47.056 46.355 45.672 45.008 44.362 43.733 43.120 42.523 41.942 41.375 40.822 40.284 39.759 142.358 129.913 119.324 110.242 102.373 95.495 89.432 84.048 79.234 74.905 70.990 67.432 64.184 61.208 58.472 53.613 52.728 51.868 51.034 50.223 49.435 48.668 47.923 47.198 46.492 45.804 45.134 44.482 43.845 43.225 42.620 42.029 41.452 40.889 40.339 39.802 142.491 130.069 119.485 110.400 102.528 95.645 89.579 84.192 79.377 75.048 71.133 67.577 64.331 61.357 58.623 53.766 52.881 52.021 51.187 50.375 49.587 48.820 48.073 47.347 46.640 45.951 45.280 44.625 43.987 43.364 42.757 42.163 41.584 41.017 40.464 39.923 142.613 130.218 119.638 110.551 102.676 95.789 89.719 84.329 79.512 75.182 71.267 67.712 64.468 61.496 58.763 53.910 53.025 52.166 51.331 50.520 49.732 48.965 48.219 47.493 46.785 46.097 45.425 44.770 44.132 43.509 42.901 42.307 41.727 41.160 40.606 40.064 142.727 130.359 119.784 110.696 102.818 95.927 89.853 84.461 79.641 75.309 71.394 67.839 64.596 61.625 58.894 54.044 53.160 52.301 51.467 50.657 49.869 49.103 48.357 47.631 46.924 46.236 45.565 44.911 44.272 43.650 43.042 42.449 41.869 41.303 40.749 40.207 142.833 130.494 119.925 110.837 102.955 96.061 89.984 84.587 79.766 75.431 71.515 67.959 64.716 61.747 59.017 54.170 53.287 52.429 51.595 50.785 49.998 49.232 48.487 47.762 47.056 46.368 45.697 45.044 44.406 43.784 43.177 42.584 42.005 41.439 40.886 40.345 99999.999 130.625 120.062 110.973 103.088 96.191 90.110 84.710 79.886 75.550 71.632 68.075 64.832 61.862 59.134 54.289 53.406 52.549 51.716 50.906 50.120 49.354 48.610 47.885 47.179 46.492 45.822 45.169 44.532 43.911 43.304 42.712 42.134 41.568 41.016 40.476 Gd2O3(s) Gd2O3 P-T:All Wt.(g/mol) = 362.498 V(cc/mol) = 43.400 D(g/cc) = 8.352 Ref: RHF78 3 2.000 58 3.000 2 -6.000 1 60.225 53.674 48.066 43.227 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.226 53.674 48.066 43.227 39.006 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.227 53.676 48.068 43.229 39.007 35.283 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.230 53.679 48.071 43.232 39.010 35.286 31.964 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.236 53.684 48.076 43.236 39.014 35.290 31.969 28.976 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.245 53.692 48.084 43.244 39.022 35.298 31.977 28.983 26.258 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.258 53.705 48.096 43.255 39.033 35.309 31.988 28.995 26.271 23.761 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.276 53.722 48.112 43.272 39.049 35.325 32.004 29.012 26.289 23.781 21.438 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.301 53.746 48.136 43.294 39.071 35.347 32.026 29.035 26.313 23.808 21.469 19.251 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.335 53.779 48.166 43.324 39.100 35.375 32.056 29.066 26.346 23.844 21.511 19.301 17.186 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.379 53.820 48.206 43.362 39.138 35.413 32.094 29.105 26.388 23.890 21.564 19.365 17.263 15.285 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.435 53.874 48.257 43.411 39.186 35.461 32.142 29.156 26.441 23.948 21.631 19.447 17.362 15.369 13.687 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.478 53.915 48.297 43.449 39.223 35.498 32.180 29.194 26.482 23.993 21.682 19.509 17.439 15.452 13.548 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.538 53.973 48.352 43.503 39.275 35.550 32.232 29.249 26.540 24.055 21.753 19.595 17.548 15.581 13.598 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.598 54.030 48.407 43.556 39.327 35.601 32.284 29.302 26.596 24.116 21.823 19.678 17.653 15.713 13.741 19.725 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.656 54.087 48.461 43.608 39.378 35.651 32.335 29.355 26.651 24.176 21.890 19.758 17.754 15.844 13.913 14.719 16.587 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.713 54.142 48.514 43.659 39.428 35.701 32.385 29.406 26.705 24.234 21.955 19.835 17.850 15.969 14.091 13.526 14.006 15.085 16.759 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.770 54.197 48.567 43.710 39.477 35.750 32.435 29.457 26.758 24.291 22.018 19.910 17.941 16.088 14.264 13.011 13.050 13.369 14.046 15.058 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.825 54.251 48.619 43.760 39.526 35.798 32.483 29.507 26.810 24.346 22.079 19.981 18.028 16.199 14.425 12.739 12.579 12.577 12.778 13.213 13.856 14.596 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.880 54.304 48.670 43.809 39.574 35.846 32.531 29.556 26.861 24.401 22.139 20.049 18.109 16.302 14.573 12.584 12.313 12.147 12.108 12.220 12.495 12.910 13.402 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.934 54.357 48.720 43.858 39.622 35.893 32.578 29.604 26.911 24.454 22.197 20.114 18.186 16.397 14.706 12.494 12.156 11.892 11.716 11.645 11.689 11.851 12.114 12.440 12.778 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 60.987 54.408 48.770 43.906 39.669 35.939 32.625 29.652 26.961 24.506 22.253 20.177 18.258 16.484 14.824 12.444 12.061 11.734 11.473 11.289 11.189 11.180 11.261 11.417 11.626 11.858 12.084 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.039 54.459 48.820 43.954 39.715 35.985 32.671 29.698 27.009 24.557 22.308 20.237 18.326 16.563 14.928 12.421 12.006 11.637 11.319 11.059 10.865 10.742 10.691 10.710 10.790 10.916 11.068 11.229 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.090 54.510 48.868 44.001 39.761 36.030 32.716 29.744 27.057 24.607 22.362 20.295 18.391 16.636 15.018 12.416 11.978 11.578 11.220 10.909 10.650 10.447 10.303 10.219 10.192 10.216 10.279 10.371 10.481 10.600 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 61.141 54.560 48.916 44.047 39.806 36.075 32.760 29.790 27.104 24.657 22.414 20.351 18.451 16.703 15.095 12.424 11.969 11.546 11.159 10.811 10.506 10.246 10.035 9.874 9.764 9.702 9.682 9.699 9.745 9.813 9.898 99999.999 99999.999 99999.999 99999.999 99999.999 61.191 54.609 48.964 44.093 39.851 36.119 32.804 29.834 27.150 24.705 22.465 20.405 18.509 16.764 15.163 12.442 11.973 11.533 11.124 10.749 10.409 10.108 9.847 9.630 9.455 9.324 9.234 9.182 9.163 9.173 9.207 9.263 9.337 99999.999 99999.999 99999.999 61.240 54.658 49.011 44.139 39.895 36.162 32.848 29.879 27.195 24.752 22.515 20.458 18.564 16.821 15.222 12.466 11.987 11.534 11.108 10.712 10.346 10.014 9.716 9.455 9.231 9.046 8.898 8.787 8.709 8.662 8.644 8.650 8.680 8.732 99999.999 99999.999 61.288 54.706 49.057 44.183 39.938 36.205 32.891 29.922 27.240 24.799 22.564 20.509 18.617 16.875 15.276 12.496 12.008 11.545 11.106 10.693 10.308 9.952 9.625 9.331 9.069 8.841 8.646 8.485 8.357 8.259 8.190 8.149 8.132 8.140 8.171 8.225 61.336 54.753 49.103 44.228 39.982 36.248 32.933 29.965 27.284 24.845 22.612 20.559 18.668 16.927 15.326 12.530 12.036 11.564 11.114 10.689 10.288 9.913 9.564 9.244 8.952 8.690 8.458 8.256 8.085 7.943 7.829 7.743 7.682 7.646 7.634 7.646 61.779 55.199 49.537 44.648 40.390 36.649 33.332 30.367 27.695 25.270 23.054 21.020 19.145 17.414 15.813 12.958 12.438 11.933 11.444 10.969 10.509 10.063 9.632 9.213 8.809 8.418 8.041 7.677 7.327 6.990 6.666 6.356 6.060 5.777 5.508 5.253 62.171 55.603 49.933 45.032 40.764 37.014 33.693 30.728 28.061 25.645 23.442 21.422 19.563 17.845 16.255 13.405 12.883 12.374 11.879 11.398 10.929 10.472 10.026 9.592 9.169 8.756 8.353 7.960 7.577 7.202 6.837 6.480 6.131 5.791 5.458 5.134 62.521 55.973 50.299 45.388 41.110 37.352 34.026 31.059 28.393 25.983 23.789 21.781 19.934 18.229 16.651 13.820 13.300 12.793 12.300 11.820 11.351 10.894 10.448 10.013 9.588 9.172 8.766 8.368 7.979 7.597 7.224 6.857 6.498 6.145 5.799 5.458 62.840 56.317 50.640 45.721 41.434 37.668 34.336 31.366 28.700 26.293 24.105 22.105 20.269 18.575 17.008 14.197 13.681 13.178 12.688 12.211 11.746 11.292 10.849 10.416 9.993 9.580 9.175 8.779 8.391 8.011 7.638 7.272 6.913 6.559 6.212 5.871 63.132 56.638 50.962 46.036 41.740 37.967 34.629 31.655 28.987 26.581 24.396 22.403 20.574 18.890 17.332 14.541 14.029 13.530 13.044 12.570 12.109 11.658 11.219 10.789 10.370 9.960 9.559 9.166 8.782 8.405 8.035 7.672 7.316 6.966 6.622 6.283 63.404 56.943 51.268 46.336 42.033 38.252 34.907 31.928 29.258 26.851 24.668 22.679 20.856 19.179 17.630 14.856 14.347 13.852 13.369 12.899 12.441 11.994 11.559 11.133 10.717 10.311 9.913 9.524 9.143 8.770 8.404 8.045 7.692 7.346 7.006 6.671 63.659 57.234 51.561 46.623 42.312 38.524 35.173 32.190 29.516 27.107 24.925 22.938 21.119 19.448 17.905 15.147 14.641 14.148 13.669 13.202 12.747 12.304 11.871 11.449 11.036 10.633 10.239 9.853 9.476 9.106 8.744 8.388 8.040 7.697 7.361 7.030 99999.999 57.513 51.842 46.899 42.582 38.787 35.429 32.440 29.763 27.352 25.169 23.183 21.367 19.699 18.162 15.416 14.913 14.423 13.947 13.483 13.030 12.590 12.160 11.740 11.331 10.931 10.539 10.157 9.782 9.416 9.057 8.704 8.359 8.020 7.687 7.359 holmium Ho P-T:All Wt.(g/mol) = 164.930 V(cc/mol) = 18.740 D(g/cc) = 8.801 Ref: RHF78 5 1.000 61 1.500 2 0.375 6 -3.375 1 -0.375 4 143.774 130.941 120.091 110.804 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.774 130.941 120.091 110.804 102.765 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.775 130.942 120.091 110.805 102.766 95.736 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.776 130.943 120.093 110.806 102.767 95.737 89.535 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.778 130.945 120.095 110.808 102.769 95.740 89.537 84.020 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.782 130.949 120.098 110.812 102.772 95.743 89.540 84.024 79.080 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.787 130.954 120.104 110.817 102.777 95.748 89.545 84.029 79.086 74.626 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.795 130.962 120.111 110.824 102.784 95.755 89.553 84.036 79.093 74.634 70.582 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.806 130.973 120.122 110.834 102.794 95.765 89.562 84.046 79.104 74.645 70.595 66.890 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.820 130.987 120.135 110.847 102.807 95.777 89.575 84.059 79.118 74.660 70.611 66.909 63.514 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.838 131.005 120.153 110.865 102.824 95.794 89.592 84.076 79.136 74.679 70.632 66.934 63.540 60.455 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.862 131.029 120.176 110.887 102.846 95.816 89.614 84.098 79.158 74.703 70.660 66.965 63.575 60.469 57.796 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.880 131.047 120.194 110.904 102.862 95.832 89.630 84.115 79.176 74.722 70.680 66.990 63.603 60.492 57.673 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.905 131.072 120.218 110.928 102.886 95.855 89.654 84.139 79.201 74.748 70.709 67.024 63.644 60.533 57.646 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.930 131.097 120.243 110.952 102.909 95.878 89.677 84.163 79.225 74.774 70.738 67.057 63.684 60.579 57.679 57.881 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.954 131.122 120.267 110.975 102.932 95.901 89.699 84.186 79.249 74.799 70.765 67.089 63.723 60.626 57.733 54.909 55.445 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.978 131.147 120.291 110.998 102.955 95.923 89.721 84.208 79.272 74.824 70.792 67.120 63.760 60.673 57.795 54.185 53.896 53.989 54.494 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.002 131.171 120.315 111.021 102.977 95.945 89.744 84.231 79.295 74.848 70.819 67.150 63.796 60.718 57.858 53.856 53.306 52.943 52.819 52.935 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.025 131.194 120.338 111.044 102.999 95.967 89.765 84.253 79.318 74.872 70.844 67.179 63.830 60.761 57.918 53.670 53.002 52.447 52.035 51.785 51.692 51.699 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.048 131.218 120.361 111.066 103.021 95.988 89.787 84.274 79.340 74.895 70.869 67.207 63.862 60.800 57.974 53.555 52.820 52.166 51.608 51.161 50.832 50.614 50.475 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.070 131.241 120.384 111.088 103.043 96.010 89.808 84.296 79.362 74.918 70.893 67.233 63.893 60.837 58.024 53.479 52.703 51.990 51.349 50.789 50.317 49.937 49.640 49.407 49.209 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.092 131.264 120.406 111.110 103.064 96.030 89.829 84.317 79.383 74.940 70.917 67.259 63.922 60.870 58.068 53.429 52.624 51.873 51.179 50.550 49.989 49.501 49.086 48.737 48.441 48.181 47.940 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.114 131.286 120.428 111.132 103.085 96.051 89.849 84.337 79.404 74.962 70.940 67.284 63.949 60.901 58.107 53.395 52.570 51.792 51.063 50.387 49.768 49.209 48.710 48.272 47.888 47.550 47.246 46.966 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.135 131.309 120.450 111.153 103.106 96.072 89.869 84.358 79.425 74.984 70.963 67.308 63.974 60.928 58.140 53.373 52.533 51.735 50.982 50.274 49.614 49.005 48.448 47.943 47.489 47.081 46.714 46.380 46.071 45.782 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.156 131.331 120.472 111.174 103.126 96.092 89.890 84.378 79.446 75.005 70.985 67.331 63.998 60.954 58.168 53.359 52.508 51.696 50.923 50.192 49.503 48.858 48.259 47.706 47.198 46.734 46.311 45.924 45.568 45.239 44.931 99999.999 99999.999 99999.999 99999.999 99999.999 144.177 131.352 120.493 111.195 103.147 96.112 89.909 84.398 79.466 75.026 71.007 67.353 64.021 60.977 58.192 53.352 52.492 51.668 50.882 50.133 49.422 48.751 48.120 47.531 46.982 46.473 46.004 45.571 45.170 44.800 44.455 44.134 43.834 99999.999 99999.999 99999.999 144.197 131.374 120.515 111.216 103.167 96.132 89.929 84.418 79.486 75.046 71.028 67.375 64.043 60.999 58.213 53.349 52.482 51.650 50.852 50.090 49.362 48.671 48.017 47.399 46.819 46.276 45.769 45.297 44.857 44.449 44.068 43.713 43.380 43.070 99999.999 99999.999 144.217 131.395 120.536 111.236 103.187 96.151 89.948 84.437 79.506 75.067 71.049 67.396 64.065 61.019 58.232 53.351 52.478 51.638 50.832 50.058 49.318 48.612 47.939 47.300 46.695 46.124 45.587 45.083 44.611 44.168 43.754 43.367 43.004 42.664 42.345 42.047 144.237 131.416 120.556 111.257 103.206 96.171 89.968 84.456 79.526 75.087 71.069 67.417 64.085 61.039 58.249 53.355 52.477 51.632 50.818 50.036 49.286 48.567 47.880 47.224 46.600 46.007 45.446 44.916 44.415 43.944 43.501 43.084 42.692 42.324 41.978 41.653 144.420 131.614 120.753 111.449 103.394 96.354 90.149 84.638 79.709 75.274 71.260 67.612 64.282 61.232 58.432 53.477 52.578 51.707 50.863 50.045 49.251 48.483 47.737 47.015 46.314 45.635 44.977 44.340 43.722 43.124 42.545 41.985 41.443 40.919 40.411 39.921 144.581 131.793 120.934 111.627 103.568 96.524 90.316 84.803 79.875 75.441 71.431 67.787 64.459 61.411 58.610 53.641 52.737 51.860 51.008 50.181 49.378 48.598 47.840 47.102 46.385 45.688 45.009 44.349 43.706 43.080 42.470 41.876 41.298 40.734 40.184 39.648 144.724 131.959 121.103 111.793 103.730 96.682 90.471 84.956 80.027 75.595 71.587 67.945 64.621 61.575 58.775 53.805 52.900 52.021 51.167 50.338 49.532 48.749 47.986 47.245 46.523 45.820 45.136 44.469 43.819 43.185 42.566 41.962 41.373 40.798 40.236 39.687 144.853 132.113 121.261 111.950 103.883 96.832 90.617 85.100 80.170 75.737 71.730 68.090 64.769 61.726 58.928 53.961 53.055 52.176 51.322 50.493 49.686 48.902 48.139 47.397 46.674 45.969 45.283 44.614 43.962 43.326 42.704 42.098 41.506 40.927 40.362 39.808 144.972 132.258 121.412 112.099 104.029 96.974 90.756 85.237 80.305 75.871 71.865 68.226 64.906 61.865 59.070 54.106 53.201 52.323 51.469 50.640 49.834 49.050 48.287 47.545 46.822 46.117 45.431 44.762 44.109 43.473 42.851 42.244 41.652 41.072 40.506 39.952 145.081 132.396 121.555 112.242 104.169 97.111 90.890 85.367 80.433 75.998 71.991 68.353 65.034 61.995 59.202 54.242 53.338 52.460 51.607 50.778 49.973 49.189 48.427 47.685 46.963 46.259 45.573 44.904 44.252 43.616 42.995 42.388 41.796 41.217 40.651 40.098 145.183 132.528 121.694 112.380 104.305 97.243 91.018 85.493 80.556 76.120 72.112 68.473 65.155 62.118 59.326 54.369 53.466 52.588 51.736 50.908 50.104 49.321 48.559 47.818 47.096 46.393 45.707 45.039 44.388 43.752 43.132 42.526 41.934 41.356 40.791 40.238 99999.999 132.656 121.828 112.513 104.436 97.371 91.143 85.615 80.676 76.237 72.228 68.589 65.271 62.233 59.442 54.489 53.586 52.709 51.858 51.031 50.226 49.444 48.683 47.942 47.221 46.519 45.834 45.167 44.516 43.881 43.261 42.656 42.065 41.488 40.923 40.371 Ho2O3(s) Ho2O3 P-T:All Wt.(g/mol) = 377.859 V(cc/mol) = 44.900 D(g/cc) = 8.416 Ref: RHF78 3 2.000 61 3.000 2 -6.000 1 53.657 47.436 42.117 37.530 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.657 47.436 42.117 37.530 33.530 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.659 47.438 42.119 37.531 33.531 30.003 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.662 47.441 42.122 37.534 33.534 30.006 26.858 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.668 47.447 42.127 37.539 33.539 30.011 26.863 24.024 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.677 47.455 42.135 37.547 33.547 30.018 26.871 24.033 21.446 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.691 47.469 42.148 37.559 33.559 30.030 26.883 24.045 21.459 19.075 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.710 47.487 42.166 37.577 33.575 30.047 26.900 24.063 21.478 19.096 16.865 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.737 47.513 42.190 37.600 33.598 30.070 26.923 24.087 21.504 19.124 16.898 14.780 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.773 47.547 42.222 37.631 33.629 30.100 26.954 24.119 21.538 19.161 16.941 14.832 12.811 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.819 47.591 42.265 37.672 33.669 30.140 26.994 24.161 21.582 19.209 16.996 14.899 12.890 11.003 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.878 47.647 42.319 37.724 33.720 30.190 27.045 24.214 21.638 19.270 17.066 14.984 12.992 11.087 9.510 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.923 47.691 42.360 37.764 33.759 30.229 27.084 24.254 21.681 19.317 17.119 15.048 13.072 11.171 9.357 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.987 47.752 42.419 37.821 33.814 30.284 27.140 24.311 21.741 19.382 17.193 15.137 13.184 11.304 9.402 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.050 47.813 42.477 37.877 33.868 30.338 27.195 24.368 21.800 19.446 17.265 15.224 13.293 11.440 9.547 16.218 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.112 47.872 42.534 37.932 33.922 30.391 27.248 24.423 21.858 19.508 17.335 15.307 13.397 11.574 9.723 10.892 12.943 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.173 47.931 42.590 37.986 33.975 30.443 27.301 24.477 21.915 19.569 17.404 15.388 13.497 11.703 9.905 9.624 10.197 11.407 13.260 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.233 47.989 42.646 38.040 34.027 30.495 27.353 24.530 21.970 19.629 17.470 15.465 13.592 11.826 10.082 9.075 9.179 9.579 10.361 11.505 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.292 48.047 42.701 38.093 34.079 30.546 27.405 24.583 22.025 19.687 17.534 15.539 13.681 11.941 10.249 8.784 8.676 8.735 9.010 9.533 10.281 11.137 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.350 48.103 42.755 38.145 34.130 30.597 27.455 24.635 22.079 19.744 17.596 15.610 13.766 12.048 10.402 8.617 8.392 8.276 8.294 8.474 8.825 9.327 9.916 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.407 48.159 42.809 38.197 34.180 30.646 27.505 24.685 22.132 19.800 17.657 15.678 13.846 12.146 10.539 8.519 8.222 8.002 7.876 7.859 7.964 8.195 8.533 8.941 9.365 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.464 48.214 42.862 38.248 34.230 30.695 27.554 24.735 22.184 19.855 17.716 15.744 13.921 12.236 10.661 8.464 8.119 7.833 7.615 7.477 7.429 7.477 7.619 7.843 8.124 8.430 8.732 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.519 48.268 42.914 38.298 34.279 30.744 27.602 24.785 22.235 19.908 17.774 15.807 13.992 12.319 10.768 8.437 8.058 7.727 7.448 7.231 7.082 7.007 7.009 7.085 7.225 7.415 7.634 7.863 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.574 48.322 42.966 38.348 34.328 30.791 27.650 24.833 22.285 19.961 17.830 15.867 14.059 12.394 10.861 8.430 8.026 7.662 7.341 7.069 6.850 6.690 6.593 6.558 6.584 6.662 6.784 6.936 7.107 7.289 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.628 48.375 43.017 38.397 34.376 30.839 27.697 24.881 22.334 20.013 17.884 15.926 14.122 12.463 10.941 8.437 8.014 7.626 7.274 6.962 6.694 6.474 6.304 6.187 6.123 6.110 6.142 6.212 6.313 6.437 6.579 99999.999 99999.999 99999.999 99999.999 99999.999 54.681 48.427 43.067 38.446 34.423 30.885 27.744 24.929 22.383 20.064 17.938 15.983 14.182 12.527 11.011 8.453 8.017 7.610 7.234 6.893 6.589 6.324 6.102 5.924 5.791 5.704 5.659 5.655 5.685 5.746 5.832 5.941 6.069 99999.999 99999.999 99999.999 54.733 48.479 43.117 38.494 34.470 30.931 27.790 24.975 22.431 20.113 17.990 16.037 14.240 12.587 11.072 8.478 8.030 7.609 7.215 6.852 6.520 6.222 5.960 5.735 5.550 5.404 5.298 5.229 5.196 5.196 5.224 5.279 5.358 5.460 99999.999 99999.999 54.785 48.530 43.167 38.542 34.516 30.977 27.835 25.021 22.478 20.163 18.042 16.091 14.295 12.643 11.128 8.508 8.051 7.618 7.211 6.830 6.477 6.153 5.860 5.600 5.374 5.183 5.026 4.905 4.817 4.761 4.735 4.738 4.767 4.820 4.898 5.000 54.836 48.580 43.216 38.589 34.562 31.022 27.880 25.067 22.525 20.211 18.092 16.144 14.349 12.697 11.181 8.542 8.078 7.636 7.218 6.823 6.453 6.109 5.793 5.505 5.247 5.019 4.822 4.657 4.523 4.420 4.346 4.300 4.281 4.287 4.319 4.374 55.311 49.057 43.678 39.037 34.997 31.448 28.303 25.492 22.959 20.659 18.558 16.628 14.849 13.207 11.688 8.984 8.491 8.014 7.552 7.104 6.670 6.251 5.844 5.452 5.073 4.707 4.354 4.015 3.689 3.376 3.077 2.792 2.520 2.262 2.018 1.787 55.733 49.491 44.102 39.447 35.396 31.838 28.688 25.876 23.347 21.056 18.967 17.052 15.289 13.659 12.151 9.449 8.954 8.472 8.004 7.548 7.104 6.672 6.250 5.840 5.440 5.050 4.670 4.299 3.937 3.584 3.239 2.903 2.575 2.255 1.942 1.637 56.114 49.889 44.495 39.829 35.766 32.200 29.043 26.229 23.701 21.416 19.335 17.431 15.680 14.064 12.567 9.883 9.390 8.910 8.443 7.988 7.544 7.111 6.689 6.277 5.874 5.481 5.096 4.719 4.351 3.990 3.636 3.289 2.949 2.615 2.287 1.965 56.462 50.261 44.863 40.188 36.114 32.539 29.376 26.558 24.029 21.746 19.671 17.776 16.035 14.429 12.943 10.280 9.790 9.314 8.850 8.398 7.957 7.527 7.107 6.698 6.297 5.905 5.522 5.147 4.779 4.419 4.066 3.719 3.378 3.043 2.714 2.390 56.783 50.610 45.211 40.527 36.444 32.860 29.690 26.867 24.336 22.054 19.982 18.092 16.359 14.763 13.286 10.642 10.157 9.684 9.224 8.775 8.338 7.911 7.495 7.089 6.691 6.303 5.923 5.551 5.187 4.830 4.479 4.135 3.798 3.466 3.139 2.818 57.083 50.942 45.543 40.851 36.759 33.166 29.989 27.161 24.627 22.343 20.273 18.387 16.659 15.070 13.602 10.975 10.493 10.024 9.567 9.122 8.688 8.265 7.852 7.449 7.056 6.671 6.294 5.926 5.565 5.212 4.865 4.525 4.191 3.863 3.540 3.223 57.366 51.259 45.861 41.162 37.062 33.461 30.276 27.442 24.904 22.618 20.548 18.664 16.940 15.356 13.894 11.282 10.803 10.337 9.884 9.442 9.011 8.591 8.182 7.782 7.392 7.010 6.637 6.272 5.915 5.565 5.222 4.885 4.555 4.230 3.912 3.598 99999.999 51.565 46.167 41.462 37.354 33.744 30.552 27.712 25.170 22.881 20.810 18.926 17.204 15.624 14.168 11.568 11.092 10.628 10.177 9.738 9.310 8.893 8.487 8.090 7.702 7.324 6.954 6.592 6.237 5.890 5.550 5.217 4.890 4.569 4.254 3.944 lanthanum La P-T:All Wt.(g/mol) = 138.906 V(cc/mol) = 22.470 D(g/cc) = 6.182 Ref: RHF78 5 1.000 51 1.500 2 0.375 6 -3.375 1 -0.375 4 145.718 132.847 121.959 112.636 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.718 132.847 121.959 112.636 104.564 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.718 132.847 121.960 112.637 104.565 97.505 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.720 132.849 121.961 112.638 104.566 97.506 91.276 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.722 132.851 121.963 112.640 104.568 97.508 91.278 85.737 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.726 132.855 121.967 112.644 104.571 97.511 91.281 85.740 80.776 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.732 132.860 121.972 112.649 104.576 97.516 91.286 85.745 80.781 76.303 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.740 132.868 121.980 112.656 104.583 97.523 91.293 85.752 80.788 76.310 72.243 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.751 132.879 121.990 112.666 104.593 97.533 91.303 85.762 80.798 76.321 72.255 68.539 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.766 132.894 122.004 112.680 104.606 97.545 91.315 85.775 80.811 76.335 72.270 68.556 65.150 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.785 132.912 122.022 112.697 104.623 97.562 91.332 85.791 80.828 76.353 72.290 68.579 65.174 62.069 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.809 132.937 122.045 112.719 104.645 97.583 91.353 85.813 80.850 76.376 72.316 68.608 65.206 62.086 59.358 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.828 132.955 122.063 112.737 104.661 97.599 91.369 85.829 80.867 76.394 72.335 68.631 65.232 62.108 59.262 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.854 132.981 122.089 112.761 104.685 97.623 91.392 85.852 80.891 76.419 72.363 68.662 65.270 62.147 59.247 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.880 133.007 122.114 112.785 104.708 97.645 91.415 85.875 80.914 76.443 72.390 68.693 65.307 62.189 59.280 58.502 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.906 133.033 122.138 112.809 104.731 97.668 91.437 85.898 80.937 76.467 72.416 68.723 65.342 62.233 59.330 56.094 56.353 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.931 133.058 122.163 112.833 104.754 97.690 91.459 85.920 80.960 76.491 72.441 68.752 65.377 62.275 59.386 55.504 55.095 54.999 55.231 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.956 133.083 122.187 112.856 104.777 97.712 91.481 85.942 80.982 76.514 72.466 68.780 65.410 62.316 59.443 55.238 54.616 54.151 53.883 53.808 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.980 133.108 122.211 112.879 104.799 97.734 91.503 85.963 81.004 76.537 72.490 68.807 65.441 62.355 59.498 55.089 54.370 53.749 53.248 52.881 52.643 52.483 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 146.004 133.132 122.234 112.902 104.821 97.756 91.524 85.985 81.026 76.559 72.514 68.833 65.471 62.391 59.548 54.997 54.224 53.522 52.903 52.377 51.951 51.616 51.346 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 146.028 133.156 122.258 112.924 104.843 97.777 91.545 86.006 81.047 76.581 72.537 68.858 65.500 62.425 59.593 54.938 54.131 53.381 52.694 52.077 51.536 51.072 50.677 50.336 50.023 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 146.051 133.180 122.281 112.947 104.864 97.798 91.566 86.026 81.068 76.603 72.560 68.882 65.527 62.456 59.634 54.900 54.070 53.288 52.558 51.884 51.271 50.721 50.233 49.800 49.413 49.056 48.714 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 146.074 133.203 122.304 112.969 104.886 97.819 91.586 86.047 81.089 76.624 72.582 68.906 65.552 62.484 59.669 54.875 54.028 53.225 52.466 51.755 51.094 50.486 49.931 49.427 48.970 48.553 48.166 47.798 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 146.097 133.227 122.326 112.991 104.907 97.839 91.607 86.067 81.110 76.645 72.603 68.929 65.576 62.510 59.700 54.860 54.001 53.181 52.402 51.665 50.971 50.322 49.720 49.163 48.651 48.179 47.742 47.335 46.949 46.581 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 146.120 133.250 122.349 113.012 104.928 97.860 91.627 86.087 81.130 76.666 72.625 68.950 65.599 62.534 59.726 54.851 53.983 53.152 52.357 51.601 50.883 50.206 49.569 48.973 48.418 47.901 47.420 46.971 46.550 46.152 45.774 99999.999 99999.999 99999.999 99999.999 99999.999 146.142 133.272 122.371 113.034 104.949 97.880 91.647 86.107 81.150 76.686 72.645 68.972 65.621 62.556 59.749 54.848 53.973 53.132 52.326 51.555 50.820 50.121 49.459 48.833 48.245 47.693 47.175 46.690 46.234 45.804 45.398 45.013 44.646 99999.999 99999.999 99999.999 146.164 133.295 122.393 113.055 104.969 97.900 91.666 86.127 81.169 76.706 72.666 68.993 65.642 62.577 59.769 54.849 53.968 53.120 52.304 51.522 50.774 50.058 49.377 48.729 48.116 47.535 46.988 46.471 45.984 45.525 45.091 44.679 44.289 43.918 99999.999 99999.999 146.185 133.317 122.415 113.076 104.990 97.920 91.686 86.146 81.189 76.726 72.686 69.013 65.662 62.596 59.787 54.853 53.967 53.113 52.291 51.500 50.740 50.012 49.316 48.651 48.017 47.415 46.843 46.301 45.788 45.302 44.841 44.405 43.990 43.597 43.223 42.869 146.207 133.339 122.437 113.097 105.010 97.940 91.705 86.165 81.208 76.745 72.706 69.033 65.682 62.615 59.805 54.859 53.969 53.110 52.282 51.484 50.717 49.979 49.270 48.592 47.942 47.322 46.731 46.168 45.632 45.123 44.639 44.180 43.743 43.327 42.932 42.557 146.406 133.549 122.643 113.297 105.203 98.127 91.889 86.347 81.390 76.929 72.892 69.221 65.870 62.801 59.981 54.985 54.078 53.198 52.344 51.517 50.714 49.935 49.180 48.447 47.735 47.045 46.375 45.725 45.094 44.483 43.890 43.315 42.757 42.216 41.693 41.185 146.585 133.742 122.835 113.483 105.383 98.302 92.060 86.515 81.557 77.096 73.060 69.392 66.042 62.973 60.151 55.144 54.232 53.346 52.487 51.652 50.841 50.053 49.287 48.542 47.817 47.111 46.425 45.756 45.105 44.470 43.852 43.249 42.662 42.089 41.531 40.986 146.748 133.922 123.015 113.659 105.554 98.467 92.220 86.672 81.712 77.250 73.215 69.548 66.200 63.132 60.311 55.301 54.388 53.501 52.640 51.803 50.990 50.199 49.429 48.681 47.952 47.242 46.550 45.876 45.218 44.577 43.952 43.341 42.745 42.163 41.595 41.039 146.898 134.092 123.187 113.827 105.716 98.624 92.373 86.821 81.858 77.395 73.359 69.693 66.346 63.280 60.460 55.450 54.537 53.650 52.788 51.951 51.137 50.346 49.575 48.826 48.095 47.384 46.691 46.015 45.356 44.713 44.086 43.473 42.874 42.289 41.718 41.159 147.038 134.254 123.351 113.988 105.872 98.775 92.519 86.963 81.997 77.532 73.496 69.829 66.483 63.417 60.598 55.591 54.678 53.791 52.930 52.093 51.279 50.487 49.717 48.967 48.237 47.525 46.832 46.156 45.496 44.853 44.225 43.612 43.013 42.427 41.855 41.295 147.170 134.409 123.509 114.143 106.023 98.921 92.660 87.100 82.131 77.664 73.626 69.958 66.612 63.547 60.729 55.723 54.810 53.924 53.063 52.226 51.413 50.621 49.851 49.101 48.371 47.660 46.967 46.291 45.632 44.989 44.361 43.748 43.149 42.564 41.992 41.433 147.294 134.559 123.662 114.294 106.170 99.063 92.797 87.233 82.261 77.790 73.750 70.082 66.735 63.670 60.852 55.848 54.936 54.050 53.189 52.352 51.539 50.748 49.978 49.229 48.499 47.789 47.096 46.420 45.761 45.119 44.491 43.879 43.280 42.696 42.124 41.565 99999.999 134.705 123.811 114.441 106.312 99.201 92.931 87.363 82.387 77.913 73.871 70.201 66.853 63.788 60.970 55.967 55.054 54.169 53.308 52.472 51.659 50.868 50.099 49.350 48.621 47.910 47.218 46.542 45.884 45.242 44.615 44.002 43.405 42.820 42.249 41.691 La2O3(s) La2O3 P-T:All Wt.(g/mol) = 325.809 V(cc/mol) = 49.560 D(g/cc) = 6.574 Ref: RHF78 3 2.000 51 3.000 2 -6.000 1 73.902 66.211 59.637 53.968 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.902 66.211 59.637 53.968 49.026 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.904 66.213 59.638 53.969 49.027 44.673 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.907 66.216 59.641 53.972 49.030 44.676 40.799 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.913 66.221 59.647 53.977 49.035 44.681 40.804 37.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.922 66.230 59.655 53.985 49.043 44.688 40.812 37.326 34.162 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.936 66.243 59.667 53.996 49.054 44.700 40.823 37.338 34.174 31.272 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.955 66.261 59.684 54.013 49.070 44.716 40.839 37.355 34.192 31.291 28.595 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.982 66.286 59.708 54.036 49.092 44.738 40.862 37.378 34.216 31.318 28.626 26.089 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.017 66.320 59.740 54.066 49.122 44.767 40.891 37.408 34.248 31.353 28.666 26.137 23.733 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.063 66.363 59.781 54.106 49.160 44.805 40.929 37.448 34.290 31.398 28.717 26.200 23.807 21.551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.121 66.418 59.833 54.156 49.209 44.853 40.978 37.498 34.343 31.455 28.783 26.278 23.903 21.639 19.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.166 66.461 59.874 54.195 49.247 44.890 41.016 37.536 34.383 31.499 28.832 26.338 23.978 21.721 19.548 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.230 66.521 59.931 54.250 49.301 44.943 41.069 37.591 34.440 31.560 28.902 26.422 24.082 21.847 19.615 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.292 66.581 59.988 54.305 49.353 44.995 41.121 37.644 34.496 31.620 28.969 26.502 24.183 21.974 19.759 23.930 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.354 66.640 60.044 54.358 49.405 45.047 41.173 37.697 34.551 31.679 29.035 26.580 24.280 22.100 19.926 19.731 21.129 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.415 66.698 60.099 54.411 49.457 45.097 41.223 37.748 34.604 31.736 29.099 26.654 24.373 22.220 20.096 18.732 18.965 19.701 20.915 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.474 66.755 60.154 54.464 49.508 45.147 41.273 37.799 34.657 31.792 29.161 26.726 24.460 22.333 20.261 18.307 18.168 18.268 18.669 19.340 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.533 66.812 60.208 54.515 49.558 45.196 41.322 37.849 34.709 31.847 29.221 26.795 24.544 22.439 20.414 18.088 17.781 17.611 17.615 17.815 18.185 18.621 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.591 66.867 60.261 54.566 49.607 45.245 41.371 37.899 34.760 31.901 29.279 26.862 24.622 22.538 20.555 17.967 17.567 17.259 17.062 16.994 17.063 17.247 17.488 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.649 66.923 60.314 54.617 49.656 45.293 41.419 37.947 34.810 31.954 29.336 26.925 24.697 22.629 20.682 17.901 17.444 17.054 16.743 16.521 16.400 16.378 16.439 16.549 16.664 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.705 66.977 60.366 54.667 49.704 45.340 41.466 37.995 34.859 32.005 29.392 26.987 24.767 22.713 20.794 17.869 17.375 16.932 16.549 16.233 15.991 15.829 15.742 15.719 15.738 15.773 15.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.761 67.031 60.417 54.716 49.752 45.387 41.513 38.042 34.908 32.056 29.446 27.046 24.833 22.790 20.894 17.859 17.338 16.860 16.429 16.051 15.730 15.472 15.278 15.143 15.060 15.015 14.991 14.974 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.815 67.084 60.468 54.765 49.799 45.434 41.559 38.089 34.956 32.106 29.499 27.103 24.895 22.861 20.980 17.865 17.325 16.821 16.356 15.935 15.560 15.236 14.965 14.746 14.576 14.450 14.358 14.290 14.236 14.191 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 74.870 67.137 60.518 54.813 49.846 45.479 41.604 38.135 35.003 32.155 29.550 27.158 24.955 22.926 21.056 17.881 17.326 16.803 16.315 15.862 15.449 15.078 14.751 14.469 14.231 14.035 13.877 13.751 13.650 13.568 13.501 99999.999 99999.999 99999.999 99999.999 99999.999 74.923 67.189 60.568 54.861 49.892 45.525 41.649 38.180 35.049 32.203 29.601 27.211 25.011 22.986 21.122 17.905 17.339 16.802 16.295 15.820 15.378 14.973 14.604 14.275 13.985 13.733 13.518 13.336 13.184 13.057 12.953 12.867 12.800 99999.999 99999.999 99999.999 74.976 67.240 60.618 54.908 49.938 45.569 41.693 38.225 35.095 32.250 29.650 27.263 25.065 23.042 21.181 17.935 17.360 16.812 16.291 15.798 15.336 14.904 14.505 14.139 13.808 13.512 13.250 13.020 12.821 12.650 12.504 12.381 12.279 12.198 99999.999 99999.999 75.028 67.291 60.666 54.955 49.983 45.614 41.737 38.269 35.140 32.297 29.698 27.313 25.118 23.096 21.234 17.968 17.387 16.830 16.298 15.792 15.313 14.862 14.439 14.046 13.683 13.352 13.051 12.781 12.541 12.328 12.142 11.981 11.843 11.728 11.634 11.562 75.079 67.341 60.715 55.002 50.028 45.657 41.781 38.312 35.184 32.343 29.746 27.363 25.169 23.147 21.285 18.006 17.419 16.855 16.315 15.798 15.306 14.839 14.398 13.983 13.596 13.236 12.905 12.601 12.326 12.077 11.855 11.658 11.484 11.334 11.206 11.100 75.561 67.817 61.173 55.443 50.455 46.073 42.191 38.723 35.601 32.770 30.188 27.820 25.640 23.629 21.768 18.444 17.836 17.247 16.674 16.117 15.577 15.052 14.543 14.048 13.569 13.103 12.652 12.216 11.793 11.384 10.990 10.609 10.242 9.889 9.550 9.224 75.993 68.253 61.596 55.850 50.848 46.455 42.566 39.095 35.975 33.150 30.578 28.222 26.056 24.056 22.205 18.888 18.279 17.686 17.110 16.548 16.002 15.468 14.949 14.442 13.948 13.465 12.994 12.534 12.085 11.646 11.217 10.798 10.388 9.988 9.597 9.214 76.386 68.657 61.990 56.230 51.215 46.812 42.915 39.439 36.318 33.497 30.931 28.584 26.427 24.438 22.597 19.297 18.691 18.101 17.526 16.966 16.420 15.888 15.369 14.861 14.366 13.882 13.408 12.945 12.492 12.048 11.614 11.188 10.770 10.360 9.958 9.563 76.748 69.035 62.361 56.589 51.562 47.148 43.243 39.762 36.638 33.817 31.254 28.914 26.765 24.785 22.953 19.671 19.068 18.481 17.910 17.353 16.810 16.280 15.764 15.259 14.766 14.284 13.813 13.352 12.900 12.458 12.025 11.599 11.182 10.773 10.371 9.975 77.086 69.394 62.714 56.931 51.892 47.468 43.554 40.067 36.939 34.117 31.555 29.219 27.076 25.103 23.279 20.013 19.413 18.830 18.262 17.708 17.168 16.642 16.128 15.627 15.137 14.659 14.190 13.732 13.284 12.845 12.415 11.993 11.579 11.172 10.773 10.381 77.404 69.735 63.052 57.259 52.209 47.774 43.852 40.357 37.225 34.400 31.839 29.504 27.365 25.397 23.580 20.328 19.731 19.151 18.585 18.035 17.498 16.975 16.464 15.966 15.479 15.004 14.539 14.084 13.639 13.204 12.777 12.358 11.948 11.545 11.149 10.761 77.706 70.064 63.377 57.575 52.514 48.070 44.138 40.637 37.499 34.671 32.108 29.773 27.637 25.673 23.860 20.620 20.026 19.448 18.885 18.337 17.803 17.282 16.775 16.279 15.795 15.323 14.861 14.409 13.967 13.534 13.111 12.695 12.288 11.889 11.496 11.111 99999.999 70.381 63.692 57.880 52.810 48.356 44.415 40.906 37.763 34.930 32.365 30.030 27.894 25.932 24.123 20.892 20.300 19.724 19.164 18.618 18.086 17.568 17.062 16.569 16.088 15.618 15.159 14.709 14.270 13.840 13.419 13.006 12.602 12.205 11.816 11.434 lutetium Lu P-T:All Wt.(g/mol) = 174.970 V(cc/mol) = 17.770 D(g/cc) = 9.846 Ref: RHF78 5 1.000 65 1.500 2 0.375 6 -3.375 1 -0.375 4 142.235 129.475 118.687 109.454 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.235 129.475 118.687 109.454 101.462 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.236 129.476 118.688 109.455 101.463 94.475 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.238 129.477 118.689 109.456 101.464 94.476 88.311 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.240 129.480 118.692 109.459 101.467 94.479 88.313 82.828 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.244 129.483 118.695 109.462 101.470 94.482 88.316 82.832 77.918 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.250 129.489 118.701 109.468 101.476 94.487 88.322 82.837 77.923 73.489 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.258 129.498 118.709 109.476 101.483 94.495 88.329 82.845 77.931 73.498 69.469 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.270 129.509 118.720 109.486 101.494 94.505 88.340 82.856 77.943 73.510 69.482 65.798 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.285 129.524 118.735 109.501 101.508 94.519 88.354 82.870 77.957 73.525 69.499 65.818 62.441 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.305 129.544 118.754 109.519 101.526 94.537 88.372 82.889 77.977 73.546 69.522 65.844 62.468 59.403 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.330 129.570 118.779 109.543 101.549 94.560 88.395 82.912 78.001 73.572 69.551 65.877 62.505 59.417 56.774 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.349 129.589 118.798 109.562 101.567 94.578 88.413 82.930 78.020 73.592 69.573 65.903 62.535 59.441 56.643 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.377 129.617 118.825 109.588 101.593 94.603 88.438 82.956 78.046 73.620 69.604 65.939 62.577 59.484 56.614 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.404 129.644 118.851 109.613 101.618 94.628 88.462 82.981 78.072 73.647 69.634 65.974 62.619 59.532 56.648 57.169 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.430 129.670 118.877 109.639 101.642 94.652 88.487 83.006 78.097 73.674 69.663 66.008 62.660 59.582 56.704 54.026 54.650 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.456 129.697 118.903 109.664 101.667 94.676 88.511 83.030 78.122 73.700 69.692 66.041 62.700 59.631 56.768 53.262 53.013 53.168 53.761 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.481 129.723 118.928 109.688 101.691 94.700 88.534 83.054 78.147 73.726 69.720 66.072 62.738 59.678 56.834 52.915 52.391 52.063 51.986 52.165 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.506 129.748 118.954 109.713 101.715 94.723 88.558 83.077 78.171 73.751 69.747 66.103 62.774 59.723 56.897 52.719 52.070 51.539 51.157 50.947 50.901 50.963 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.531 129.774 118.978 109.737 101.738 94.746 88.581 83.101 78.195 73.776 69.774 66.132 62.808 59.764 56.955 52.598 51.878 51.243 50.707 50.287 49.992 49.813 49.718 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.555 129.799 119.003 109.761 101.761 94.769 88.604 83.124 78.219 73.800 69.800 66.161 62.840 59.803 57.008 52.518 51.754 51.057 50.433 49.894 49.447 49.096 48.832 48.635 48.476 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.579 129.823 119.027 109.784 101.784 94.792 88.626 83.146 78.242 73.824 69.825 66.188 62.871 59.838 57.054 52.464 51.671 50.933 50.254 49.641 49.100 48.635 48.245 47.925 47.660 47.433 47.225 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.603 129.848 119.051 109.808 101.807 94.814 88.648 83.169 78.264 73.848 69.850 66.214 62.899 59.870 57.095 52.429 51.614 50.848 50.132 49.470 48.867 48.326 47.848 47.432 47.073 46.762 46.488 46.237 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.626 129.872 119.075 109.831 101.829 94.836 88.670 83.191 78.287 73.871 69.874 66.240 62.927 59.900 57.130 52.405 51.575 50.788 50.046 49.350 48.704 48.110 47.570 47.084 46.651 46.266 45.923 45.614 45.332 45.070 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.648 129.896 119.098 109.853 101.852 94.858 88.692 83.212 78.309 73.894 69.897 66.264 62.952 59.927 57.160 52.391 51.549 50.746 49.984 49.264 48.587 47.956 47.371 46.833 46.343 45.898 45.495 45.130 44.797 44.492 44.209 99999.999 99999.999 99999.999 99999.999 99999.999 142.671 129.919 119.121 109.876 101.873 94.879 88.713 83.234 78.331 73.916 69.920 66.288 62.977 59.951 57.185 52.383 51.532 50.717 49.940 49.201 48.502 47.842 47.224 46.648 46.114 45.622 45.170 44.756 44.375 44.026 43.703 43.403 43.126 99999.999 99999.999 99999.999 142.693 129.942 119.144 109.898 101.895 94.901 88.734 83.255 78.352 73.938 69.943 66.311 63.000 59.974 57.207 52.381 51.522 50.698 49.909 49.156 48.439 47.758 47.115 46.510 45.943 45.413 44.922 44.466 44.044 43.653 43.291 42.956 42.644 42.354 99999.999 99999.999 142.715 129.965 119.167 109.920 101.917 94.922 88.755 83.276 78.373 73.960 69.965 66.334 63.023 59.996 57.227 52.382 51.517 50.686 49.888 49.123 48.392 47.695 47.032 46.404 45.811 45.253 44.730 44.240 43.782 43.356 42.959 42.588 42.244 41.922 41.623 41.345 142.736 129.988 119.189 109.942 101.938 94.943 88.776 83.296 78.394 73.981 69.987 66.356 63.045 60.017 57.245 52.387 51.517 50.679 49.873 49.100 48.358 47.648 46.970 46.324 45.711 45.129 44.580 44.062 43.576 43.119 42.690 42.289 41.913 41.561 41.233 40.925 142.935 130.202 119.402 110.150 102.141 95.141 88.971 83.492 78.591 74.182 70.192 66.565 63.254 60.223 57.439 52.517 51.624 50.759 49.921 49.109 48.322 47.559 46.819 46.103 45.409 44.736 44.084 43.453 42.842 42.251 41.679 41.125 40.590 40.072 39.573 39.090 143.110 130.397 119.598 110.342 102.328 95.323 89.150 83.669 78.769 74.362 70.375 66.751 63.444 60.414 57.629 52.691 51.792 50.921 50.075 49.253 48.456 47.681 46.928 46.196 45.484 44.792 44.118 43.463 42.825 42.203 41.599 41.010 40.436 39.876 39.331 38.800 143.267 130.576 119.780 110.521 102.502 95.494 89.318 83.834 78.933 74.526 70.541 66.921 63.616 60.588 57.805 52.865 51.965 51.092 50.244 49.420 48.619 47.841 47.083 46.347 45.630 44.932 44.252 43.589 42.943 42.314 41.699 41.100 40.515 39.944 39.386 38.840 143.409 130.744 119.952 110.691 102.668 95.655 89.475 83.989 79.087 74.679 70.695 67.077 63.774 60.749 57.968 53.031 52.131 51.257 50.409 49.584 48.783 48.004 47.245 46.508 45.789 45.090 44.408 43.743 43.095 42.463 41.846 41.243 40.655 40.080 39.518 38.969 143.539 130.901 120.114 110.852 102.825 95.809 89.625 84.136 79.231 74.823 70.839 67.222 63.921 60.898 58.119 53.185 52.286 51.413 50.565 49.741 48.940 48.160 47.402 46.665 45.946 45.246 44.564 43.900 43.251 42.618 42.001 41.398 40.809 40.233 39.671 39.121 143.660 131.051 120.270 111.006 102.977 95.956 89.769 84.276 79.369 74.960 70.975 67.358 64.059 61.037 58.260 53.330 52.431 51.559 50.712 49.888 49.087 48.309 47.551 46.814 46.096 45.397 44.715 44.051 43.403 42.770 42.153 41.551 40.962 40.387 39.824 39.275 143.773 131.195 120.420 111.155 103.122 96.098 89.907 84.412 79.502 75.090 71.105 67.487 64.188 61.168 58.393 53.466 52.568 51.696 50.849 50.026 49.226 48.448 47.692 46.955 46.238 45.539 44.858 44.194 43.547 42.915 42.298 41.696 41.108 40.534 39.972 39.423 99999.999 131.333 120.564 111.299 103.264 96.236 90.041 84.542 79.630 75.216 71.229 67.611 64.312 61.292 58.517 53.594 52.696 51.825 50.979 50.157 49.357 48.580 47.824 47.088 46.371 45.673 44.992 44.329 43.682 43.051 42.436 41.834 41.247 40.673 40.112 39.564 Lu2O3(s) Lu2O3 P-T:All Wt.(g/mol) = 397.938 V(cc/mol) = 42.220 D(g/cc) = 9.425 Ref: RHF78 3 2.000 65 3.000 2 -6.000 1 51.064 44.946 39.719 35.215 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.064 44.946 39.719 35.215 31.289 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.066 44.948 39.721 35.217 31.291 27.830 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.070 44.952 39.724 35.220 31.294 27.833 24.747 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.076 44.957 39.730 35.225 31.299 27.838 24.752 21.969 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.085 44.967 39.739 35.234 31.308 27.847 24.760 21.977 19.441 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.100 44.980 39.752 35.246 31.320 27.859 24.773 21.990 19.455 17.115 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.120 45.000 39.771 35.264 31.338 27.877 24.791 22.009 19.474 17.137 14.947 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.148 45.027 39.796 35.289 31.362 27.901 24.815 22.034 19.501 17.166 14.981 12.900 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.186 45.063 39.831 35.322 31.394 27.933 24.848 22.068 19.537 17.205 15.026 12.954 10.967 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.235 45.110 39.875 35.365 31.436 27.975 24.890 22.112 19.583 17.256 15.083 13.023 11.048 9.198 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.297 45.169 39.932 35.420 31.490 28.028 24.944 22.168 19.642 17.320 15.156 13.111 11.153 9.283 7.762 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.344 45.215 39.976 35.463 31.531 28.069 24.985 22.210 19.687 17.368 15.211 13.177 11.235 9.368 7.594 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.412 45.280 40.038 35.522 31.590 28.127 25.044 22.270 19.750 17.437 15.289 13.271 11.351 9.503 7.634 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.478 45.344 40.099 35.582 31.647 28.184 25.102 22.330 19.812 17.504 15.364 13.361 11.464 9.643 7.780 15.086 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.543 45.407 40.160 35.640 31.704 28.240 25.158 22.388 19.873 17.569 15.438 13.448 11.572 9.782 7.959 9.418 11.644 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.607 45.469 40.219 35.697 31.760 28.295 25.214 22.445 19.933 17.633 15.509 13.531 11.676 9.916 8.147 8.070 8.723 10.055 12.083 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.670 45.530 40.278 35.754 31.815 28.350 25.269 22.501 19.991 17.695 15.578 13.611 11.774 10.042 8.329 7.485 7.640 8.109 8.985 10.253 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.732 45.590 40.336 35.810 31.870 28.404 25.323 22.556 20.049 17.756 15.645 13.689 11.867 10.161 8.501 7.173 7.103 7.210 7.545 8.145 8.989 9.954 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.793 45.650 40.394 35.865 31.924 28.457 25.376 22.611 20.105 17.816 15.710 13.763 11.955 10.272 8.658 6.993 6.798 6.719 6.782 7.015 7.432 8.013 8.689 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.853 45.709 40.450 35.920 31.977 28.509 25.429 22.664 20.161 17.875 15.774 13.834 12.039 10.373 8.800 6.886 6.615 6.425 6.334 6.358 6.512 6.800 7.205 7.685 8.186 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.912 45.767 40.506 35.974 32.029 28.561 25.480 22.717 20.215 17.932 15.836 13.902 12.117 10.467 8.926 6.825 6.503 6.242 6.054 5.949 5.940 6.032 6.225 6.506 6.849 7.221 7.591 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.971 45.824 40.561 36.027 32.081 28.612 25.532 22.769 20.269 17.989 15.896 13.968 12.191 10.553 9.036 6.795 6.436 6.127 5.874 5.685 5.567 5.528 5.571 5.693 5.884 6.127 6.403 6.692 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.028 45.881 40.616 36.080 32.133 28.663 25.582 22.820 20.322 18.044 15.955 14.032 12.260 10.631 9.133 6.785 6.400 6.056 5.757 5.510 5.318 5.189 5.125 5.128 5.195 5.318 5.488 5.691 5.915 6.150 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.085 45.937 40.670 36.132 32.183 28.713 25.632 22.871 20.374 18.098 16.012 14.093 12.326 10.703 9.216 6.790 6.385 6.015 5.683 5.393 5.149 4.955 4.815 4.730 4.700 4.725 4.797 4.911 5.057 5.229 5.420 99999.999 99999.999 99999.999 99999.999 99999.999 52.141 45.992 40.723 36.183 32.233 28.762 25.681 22.920 20.425 18.152 16.068 14.152 12.389 10.769 9.288 6.806 6.386 5.996 5.639 5.318 5.035 4.793 4.596 4.446 4.343 4.288 4.278 4.311 4.381 4.483 4.612 4.765 4.939 99999.999 99999.999 99999.999 52.196 46.046 40.776 36.234 32.283 28.811 25.729 22.970 20.475 18.204 16.123 14.210 12.449 10.831 9.352 6.829 6.397 5.993 5.617 5.271 4.959 4.682 4.442 4.242 4.083 3.965 3.889 3.853 3.854 3.890 3.956 4.050 4.170 4.313 99999.999 99999.999 52.251 46.100 40.828 36.285 32.332 28.859 25.777 23.018 20.525 18.256 16.177 14.266 12.506 10.889 9.409 6.859 6.418 6.001 5.610 5.246 4.911 4.606 4.334 4.095 3.892 3.726 3.596 3.503 3.445 3.421 3.429 3.466 3.531 3.622 3.738 3.880 52.304 46.154 40.880 36.334 32.380 28.906 25.825 23.066 20.574 18.306 16.230 14.320 12.563 10.946 9.463 6.894 6.445 6.018 5.615 5.236 4.883 4.557 4.259 3.991 3.754 3.548 3.376 3.236 3.129 3.053 3.009 2.994 3.007 3.047 3.113 3.204 52.804 46.657 41.368 36.807 32.839 29.356 26.271 23.515 21.031 18.778 16.718 14.827 13.085 11.477 9.991 7.348 6.868 6.403 5.952 5.516 5.094 4.686 4.292 3.912 3.545 3.191 2.851 2.524 2.211 1.912 1.626 1.354 1.096 0.852 0.622 0.406 53.249 47.114 41.815 37.240 33.260 29.767 26.677 23.919 21.440 19.195 17.149 15.272 13.545 11.950 10.473 7.831 7.347 6.876 6.419 5.974 5.540 5.118 4.708 4.307 3.918 3.538 3.167 2.806 2.454 2.110 1.776 1.449 1.130 0.820 0.517 0.221 53.649 47.534 42.230 37.643 33.651 30.149 27.051 24.291 21.813 19.573 17.535 15.670 13.956 12.373 10.908 8.283 7.801 7.332 6.875 6.430 5.997 5.574 5.161 4.759 4.365 3.981 3.605 3.238 2.878 2.526 2.181 1.842 1.510 1.184 0.864 0.550 54.015 47.925 42.618 38.021 34.018 30.506 27.402 24.637 22.158 19.920 17.888 16.032 14.327 12.756 11.302 8.696 8.218 7.752 7.299 6.857 6.426 6.006 5.596 5.195 4.804 4.421 4.046 3.680 3.321 2.969 2.623 2.284 1.951 1.624 1.302 0.986 54.353 48.293 42.985 38.379 34.366 30.845 27.733 24.963 22.481 20.244 18.215 16.364 14.667 13.105 11.661 9.075 8.600 8.138 7.688 7.250 6.822 6.406 5.999 5.602 5.214 4.834 4.463 4.099 3.743 3.394 3.052 2.716 2.385 2.061 1.742 1.428 54.669 48.643 43.334 38.720 34.698 31.168 28.048 25.272 22.787 20.549 18.521 16.673 14.982 13.427 11.991 9.423 8.951 8.493 8.046 7.611 7.188 6.774 6.371 5.977 5.593 5.217 4.849 4.489 4.136 3.791 3.452 3.120 2.793 2.473 2.157 1.847 54.966 48.976 43.669 39.048 35.016 31.477 28.350 25.568 23.079 20.838 18.809 16.964 15.277 13.727 12.298 9.744 9.276 8.820 8.377 7.945 7.525 7.115 6.715 6.324 5.943 5.570 5.206 4.849 4.500 4.158 3.823 3.494 3.171 2.854 2.543 2.236 99999.999 49.298 43.991 39.363 35.323 31.776 28.641 25.852 23.358 21.114 19.084 17.239 15.554 14.008 12.584 10.043 9.577 9.125 8.684 8.255 7.837 7.430 7.033 6.645 6.267 5.897 5.536 5.182 4.836 4.497 4.165 3.840 3.520 3.207 2.898 2.595 neodymium Nd P-T:All Wt.(g/mol) = 144.242 V(cc/mol) = 20.570 D(g/cc) = 7.012 Ref: RHF78 5 1.000 54 1.500 2 0.375 6 -3.375 1 -0.375 4 143.009 130.354 119.640 110.460 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.009 130.354 119.640 110.460 102.507 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.010 130.355 119.641 110.461 102.507 95.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.012 130.357 119.643 110.463 102.509 95.548 89.401 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.014 130.359 119.645 110.465 102.511 95.550 89.403 83.932 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.019 130.363 119.649 110.468 102.514 95.553 89.407 83.936 79.030 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.025 130.369 119.654 110.474 102.519 95.558 89.412 83.941 79.036 74.608 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.034 130.378 119.663 110.482 102.527 95.566 89.419 83.948 79.043 74.616 70.590 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.046 130.390 119.674 110.492 102.537 95.576 89.429 83.959 79.054 74.627 70.603 66.921 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.063 130.405 119.689 110.507 102.551 95.589 89.443 83.972 79.068 74.642 70.619 66.939 63.562 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.084 130.426 119.708 110.525 102.569 95.607 89.460 83.990 79.086 74.661 70.640 66.964 63.587 60.511 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.111 130.452 119.733 110.549 102.592 95.629 89.482 84.012 79.109 74.685 70.667 66.994 63.622 60.527 57.838 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.132 130.472 119.752 110.567 102.609 95.646 89.499 84.030 79.127 74.704 70.688 67.018 63.649 60.550 57.731 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.162 130.500 119.779 110.593 102.634 95.671 89.524 84.054 79.152 74.730 70.716 67.052 63.688 60.591 57.712 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.191 130.529 119.806 110.619 102.659 95.695 89.548 84.078 79.177 74.756 70.745 67.084 63.727 60.635 57.746 57.390 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.220 130.556 119.832 110.644 102.684 95.719 89.571 84.102 79.201 74.781 70.772 67.116 63.765 60.681 57.799 54.754 55.129 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.249 130.584 119.859 110.669 102.708 95.742 89.595 84.125 79.225 74.806 70.799 67.146 63.802 60.726 57.858 54.111 53.754 53.738 54.083 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.277 130.611 119.885 110.694 102.732 95.766 89.618 84.148 79.248 74.831 70.825 67.176 63.837 60.770 57.918 53.820 53.231 52.810 52.603 52.608 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.305 130.638 119.910 110.718 102.755 95.789 89.640 84.171 79.272 74.855 70.851 67.204 63.870 60.811 57.976 53.657 52.962 52.371 51.908 51.591 51.414 51.323 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.332 130.665 119.936 110.743 102.779 95.811 89.663 84.194 79.294 74.878 70.876 67.232 63.902 60.849 58.029 53.556 52.802 52.122 51.531 51.039 50.655 50.369 50.153 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.359 130.691 119.961 110.767 102.802 95.834 89.685 84.216 79.317 74.902 70.900 67.258 63.932 60.884 58.077 53.491 52.700 51.967 51.302 50.710 50.200 49.771 49.418 49.121 48.856 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.386 130.717 119.986 110.790 102.825 95.856 89.707 84.238 79.339 74.924 70.924 67.284 63.960 60.917 58.120 53.448 52.632 51.865 51.153 50.500 49.910 49.387 48.930 48.532 48.183 47.865 47.564 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.412 130.743 120.010 110.814 102.847 95.878 89.729 84.259 79.361 74.947 70.948 67.309 63.987 60.947 58.157 53.420 52.586 51.795 51.052 50.357 49.716 49.129 48.598 48.122 47.696 47.311 46.958 46.626 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.438 130.768 120.035 110.837 102.870 95.900 89.750 84.281 79.383 74.969 70.970 67.333 64.012 60.974 58.190 53.402 52.555 51.747 50.981 50.258 49.580 48.950 48.367 47.833 47.345 46.900 46.492 46.114 45.760 45.423 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.464 130.793 120.059 110.860 102.892 95.922 89.771 84.302 79.404 74.991 70.993 67.356 64.036 61.000 58.217 53.393 52.535 51.714 50.932 50.188 49.484 48.822 48.201 47.624 47.089 46.594 46.137 45.714 45.319 44.949 44.599 99999.999 99999.999 99999.999 99999.999 99999.999 143.489 130.818 120.083 110.883 102.914 95.943 89.792 84.323 79.425 75.012 71.015 67.378 64.059 61.023 58.241 53.388 52.523 51.692 50.897 50.137 49.414 48.728 48.080 47.471 46.899 46.366 45.868 45.404 44.970 44.564 44.183 43.823 43.482 99999.999 99999.999 99999.999 143.514 130.843 120.106 110.906 102.936 95.964 89.813 84.343 79.446 75.033 71.036 67.400 64.081 61.045 58.262 53.389 52.516 51.678 50.873 50.101 49.363 48.659 47.990 47.356 46.757 46.192 45.662 45.163 44.696 44.257 43.844 43.454 43.087 42.739 99999.999 99999.999 143.539 130.867 120.130 110.929 102.958 95.985 89.834 84.364 79.466 75.054 71.058 67.422 64.103 61.065 58.281 53.392 52.515 51.670 50.857 50.075 49.326 48.608 47.923 47.270 46.649 46.060 45.503 44.976 44.479 44.011 43.569 43.151 42.757 42.384 42.032 41.699 143.563 130.892 120.153 110.951 102.979 96.006 89.854 84.384 79.487 75.075 71.078 67.443 64.124 61.085 58.299 53.398 52.517 51.666 50.847 50.058 49.299 48.571 47.872 47.204 46.566 45.958 45.379 44.830 44.308 43.815 43.347 42.904 42.484 42.087 41.711 41.354 143.794 131.123 120.376 111.165 103.185 96.205 90.049 84.576 79.679 75.269 71.275 67.642 64.323 61.281 58.485 53.529 52.628 51.755 50.908 50.086 49.290 48.517 47.766 47.039 46.333 45.648 44.983 44.338 43.713 43.107 42.519 41.949 41.397 40.862 40.344 39.842 144.005 131.337 120.585 111.365 103.377 96.391 90.229 84.754 79.855 75.445 71.453 67.822 64.505 61.463 58.665 53.696 52.790 51.911 51.057 50.228 49.422 48.639 47.877 47.137 46.416 45.714 45.031 44.366 43.718 43.087 42.471 41.872 41.287 40.717 40.161 39.618 144.198 131.538 120.781 111.554 103.559 96.566 90.399 84.920 80.019 75.608 71.617 67.987 64.672 61.632 58.834 53.862 52.955 52.074 51.219 50.387 49.579 48.792 48.027 47.283 46.557 45.851 45.162 44.491 43.836 43.198 42.575 41.966 41.372 40.792 40.225 39.670 144.379 131.729 120.969 111.735 103.733 96.734 90.561 85.078 80.174 75.761 71.769 68.140 64.826 61.788 58.991 54.020 53.113 52.232 51.376 50.544 49.735 48.948 48.182 47.436 46.709 46.001 45.311 44.638 43.982 43.341 42.715 42.104 41.508 40.924 40.354 39.796 144.549 131.911 121.148 111.909 103.900 96.895 90.717 85.229 80.321 75.907 71.914 68.284 64.971 61.933 59.138 54.169 53.262 52.382 51.526 50.694 49.885 49.098 48.331 47.585 46.859 46.151 45.460 44.787 44.130 43.489 42.863 42.251 41.654 41.070 40.499 39.940 144.711 132.087 121.322 112.077 104.062 97.051 90.867 85.375 80.463 76.046 72.051 68.421 65.108 62.070 59.276 54.309 53.403 52.522 51.667 50.835 50.027 49.240 48.474 47.728 47.002 46.294 45.604 44.931 44.274 43.633 43.007 42.396 41.799 41.215 40.644 40.086 144.866 132.257 121.491 112.241 104.219 97.202 91.013 85.516 80.600 76.180 72.183 68.552 65.238 62.201 59.407 54.442 53.535 52.655 51.800 50.969 50.161 49.374 48.609 47.863 47.137 46.430 45.740 45.067 44.411 43.771 43.145 42.535 41.938 41.354 40.784 40.226 99999.999 132.422 121.655 112.400 104.373 97.350 91.156 85.653 80.734 76.310 72.311 68.677 65.362 62.325 59.531 54.567 53.661 52.781 51.927 51.096 50.288 49.502 48.736 47.991 47.266 46.559 45.869 45.197 44.541 43.901 43.276 42.666 42.070 41.487 40.917 40.360 Nd2O3(s) Nd2O3 P-T:All Wt.(g/mol) = 336.478 V(cc/mol) = 45.920 D(g/cc) = 7.327 Ref: RHF78 3 2.000 54 3.000 2 -6.000 1 65.614 58.584 52.550 47.330 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.614 58.584 52.550 47.330 42.767 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.616 58.586 52.551 47.332 42.768 38.736 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.620 58.589 52.555 47.335 42.771 38.739 35.138 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.626 58.595 52.560 47.340 42.776 38.744 35.143 31.894 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.636 58.604 52.569 47.348 42.784 38.752 35.151 31.902 28.943 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.651 58.618 52.581 47.360 42.796 38.763 35.162 31.914 28.955 26.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.672 58.637 52.600 47.378 42.813 38.780 35.179 31.932 28.974 26.251 23.708 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.701 58.664 52.625 47.402 42.836 38.803 35.203 31.956 28.999 26.278 23.740 21.337 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.740 58.700 52.659 47.434 42.868 38.834 35.234 31.988 29.033 26.315 23.782 21.387 19.099 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.791 58.747 52.703 47.476 42.908 38.874 35.274 32.029 29.076 26.362 23.836 21.452 19.176 17.030 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.855 58.807 52.759 47.529 42.960 38.925 35.325 32.082 29.132 26.422 23.904 21.534 19.276 17.118 15.254 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.905 58.853 52.802 47.570 42.999 38.964 35.364 32.122 29.174 26.467 23.956 21.596 19.353 17.201 15.133 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.975 58.918 52.863 47.628 43.056 39.019 35.420 32.179 29.233 26.532 24.028 21.683 19.462 17.331 15.193 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.045 58.982 52.923 47.686 43.111 39.074 35.475 32.235 29.292 26.595 24.099 21.767 19.567 17.463 15.338 20.442 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.113 59.045 52.983 47.743 43.166 39.128 35.529 32.290 29.349 26.656 24.168 21.848 19.668 17.593 15.510 15.788 17.434 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.180 59.108 53.042 47.799 43.220 39.181 35.582 32.344 29.406 26.716 24.234 21.926 19.765 17.718 15.686 14.681 15.035 15.946 17.402 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.247 59.170 53.100 47.854 43.274 39.234 35.634 32.398 29.461 26.775 24.299 22.001 19.856 17.836 15.857 14.206 14.149 14.354 14.893 15.739 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.312 59.231 53.158 47.909 43.327 39.286 35.686 32.450 29.515 26.832 24.362 22.074 19.943 17.947 16.016 13.958 13.716 13.622 13.719 14.034 14.540 15.129 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.377 59.291 53.215 47.963 43.379 39.337 35.737 32.502 29.569 26.889 24.423 22.143 20.025 18.050 16.163 13.819 13.474 13.227 13.101 13.117 13.284 13.580 13.945 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.441 59.351 53.271 48.017 43.431 39.387 35.787 32.553 29.621 26.944 24.483 22.210 20.103 18.145 16.295 13.741 13.333 12.996 12.743 12.588 12.542 12.605 12.762 12.976 13.199 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.504 59.410 53.327 48.070 43.482 39.437 35.837 32.603 29.673 26.998 24.541 22.274 20.176 18.232 16.413 13.701 13.251 12.855 12.523 12.262 12.083 11.989 11.978 12.038 12.147 12.275 12.396 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.566 59.469 53.382 48.122 43.532 39.487 35.886 32.652 29.724 27.051 24.597 22.335 20.245 18.313 16.516 13.685 13.206 12.770 12.384 12.055 11.788 11.587 11.456 11.390 11.381 11.414 11.471 11.537 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.628 59.526 53.436 48.174 43.582 39.535 35.934 32.701 29.774 27.103 24.653 22.395 20.311 18.386 16.606 13.687 13.185 12.721 12.298 11.921 11.593 11.319 11.102 10.941 10.834 10.774 10.752 10.756 10.777 10.807 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 66.688 59.583 53.490 48.225 43.632 39.584 35.982 32.750 29.823 27.155 24.707 22.452 20.373 18.454 16.685 13.700 13.182 12.697 12.247 11.836 11.465 11.138 10.858 10.627 10.443 10.304 10.207 10.143 10.107 10.092 10.093 99999.999 99999.999 99999.999 99999.999 99999.999 66.748 59.640 53.543 48.276 43.681 39.631 36.030 32.797 29.872 27.205 24.760 22.508 20.432 18.517 16.753 13.722 13.192 12.691 12.221 11.783 11.381 11.016 10.690 10.405 10.162 9.961 9.798 9.672 9.577 9.510 9.466 9.442 9.438 99999.999 99999.999 99999.999 66.808 59.696 53.596 48.327 43.729 39.679 36.076 32.844 29.920 27.255 24.811 22.562 20.488 18.575 16.814 13.750 13.210 12.697 12.211 11.754 11.328 10.934 10.574 10.249 9.961 9.709 9.493 9.312 9.164 9.045 8.953 8.886 8.841 8.818 99999.999 99999.999 66.866 59.751 53.648 48.376 43.777 39.725 36.123 32.891 29.967 27.304 24.862 22.615 20.543 18.631 16.869 13.783 13.236 12.713 12.215 11.743 11.298 10.882 10.495 10.140 9.816 9.525 9.266 9.040 8.844 8.679 8.541 8.430 8.343 8.280 8.239 8.221 66.924 59.806 53.700 48.426 43.825 39.772 36.168 32.936 30.014 27.352 24.912 22.667 20.596 18.684 16.922 13.820 13.266 12.736 12.228 11.744 11.285 10.851 10.444 10.064 9.713 9.390 9.097 8.833 8.599 8.392 8.214 8.061 7.934 7.831 7.751 7.694 67.470 60.327 54.194 48.896 44.277 40.211 36.601 33.368 30.451 27.800 25.375 23.146 21.090 19.187 17.424 14.268 13.691 13.130 12.585 12.056 11.543 11.044 10.559 10.090 9.634 9.192 8.765 8.351 7.951 7.565 7.193 6.834 6.489 6.158 5.841 5.538 67.966 60.806 54.651 49.332 44.695 40.616 36.997 33.761 30.846 28.201 25.786 23.569 21.525 19.635 17.881 14.730 14.150 13.586 13.036 12.501 11.979 11.470 10.973 10.489 10.016 9.554 9.103 8.663 8.232 7.812 7.401 6.999 6.606 6.221 5.846 5.478 68.423 61.253 55.078 49.740 45.087 40.995 37.366 34.125 31.208 28.566 26.157 23.949 21.916 20.036 18.293 15.158 14.581 14.018 13.470 12.936 12.414 11.906 11.409 10.923 10.449 9.984 9.530 9.086 8.650 8.223 7.805 7.394 6.991 6.596 6.207 5.825 68.848 61.674 55.483 50.127 45.458 41.352 37.714 34.466 31.546 28.903 26.498 24.296 22.271 20.401 18.667 15.550 14.976 14.417 13.872 13.340 12.822 12.315 11.821 11.338 10.866 10.403 9.951 9.508 9.074 8.648 8.230 7.820 7.417 7.022 6.633 6.250 69.248 62.075 55.869 50.496 45.812 41.693 38.045 34.789 31.864 29.220 26.816 24.618 22.599 20.735 19.009 15.909 15.338 14.783 14.241 13.713 13.197 12.694 12.203 11.723 11.254 10.795 10.346 9.906 9.474 9.052 8.637 8.230 7.830 7.437 7.051 6.671 69.627 62.458 56.239 50.851 46.151 42.021 38.362 35.098 32.167 29.520 27.115 24.919 22.903 21.046 19.326 16.240 15.673 15.120 14.581 14.056 13.544 13.044 12.556 12.079 11.613 11.157 10.711 10.274 9.846 9.427 9.016 8.612 8.216 7.827 7.444 7.068 69.991 62.829 56.596 51.193 46.480 42.336 38.667 35.394 32.457 29.806 27.399 25.203 23.190 21.336 19.621 16.547 15.982 15.432 14.896 14.374 13.864 13.367 12.882 12.408 11.945 11.492 11.049 10.615 10.190 9.774 9.366 8.966 8.573 8.187 7.808 7.435 99999.999 63.188 56.943 51.525 46.798 42.642 38.962 35.681 32.737 30.081 27.671 25.474 23.461 21.610 19.898 16.834 16.271 15.723 15.189 14.669 14.162 13.667 13.185 12.713 12.252 11.802 11.362 10.931 10.509 10.095 9.690 9.293 8.903 8.520 8.144 7.774 praseodymium Pr P-T:All Wt.(g/mol) = 140.908 V(cc/mol) = 20.800 D(g/cc) = 6.774 Ref: RHF78 5 1.000 53 1.500 2 0.375 6 -3.375 1 -0.375 4 144.636 131.820 120.975 111.685 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.636 131.820 120.975 111.685 103.637 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.637 131.821 120.976 111.686 103.638 96.597 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.638 131.823 120.977 111.687 103.639 96.598 90.382 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.641 131.825 120.979 111.689 103.642 96.600 90.384 84.852 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.645 131.829 120.983 111.693 103.645 96.604 90.388 84.855 79.896 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.651 131.835 120.989 111.698 103.650 96.609 90.393 84.860 79.901 75.424 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.660 131.843 120.997 111.706 103.658 96.616 90.400 84.868 79.909 75.432 71.363 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.672 131.855 121.008 111.716 103.668 96.626 90.410 84.878 79.919 75.444 71.376 67.654 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.688 131.870 121.022 111.730 103.681 96.640 90.423 84.892 79.933 75.459 71.392 67.673 64.260 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.709 131.890 121.041 111.748 103.699 96.657 90.441 84.909 79.952 75.478 71.414 67.697 64.285 61.179 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.735 131.916 121.065 111.772 103.721 96.679 90.463 84.932 79.975 75.502 71.441 67.729 64.320 61.194 58.492 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.756 131.935 121.084 111.790 103.739 96.696 90.480 84.949 79.993 75.521 71.462 67.753 64.348 61.217 58.375 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.785 131.963 121.111 111.815 103.763 96.720 90.504 84.973 80.018 75.548 71.491 67.787 64.388 61.259 58.352 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.813 131.991 121.137 111.840 103.788 96.744 90.527 84.997 80.042 75.574 71.519 67.820 64.428 61.304 58.385 58.321 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.841 132.018 121.163 111.865 103.812 96.768 90.551 85.021 80.067 75.599 71.547 67.852 64.467 61.351 58.439 55.484 55.947 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.869 132.045 121.189 111.890 103.836 96.791 90.574 85.044 80.090 75.624 71.574 67.883 64.504 61.398 58.500 54.792 54.467 54.509 54.941 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.896 132.071 121.214 111.914 103.859 96.814 90.597 85.067 80.114 75.649 71.601 67.913 64.540 61.442 58.562 54.478 53.905 53.511 53.345 53.408 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.923 132.098 121.239 111.938 103.882 96.836 90.619 85.090 80.137 75.673 71.627 67.942 64.574 61.484 58.621 54.302 53.615 53.037 52.596 52.312 52.177 52.137 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.950 132.124 121.264 111.962 103.905 96.859 90.641 85.112 80.160 75.697 71.652 67.970 64.606 61.523 58.676 54.193 53.442 52.770 52.190 51.717 51.358 51.105 50.928 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.976 132.149 121.289 111.985 103.928 96.881 90.663 85.134 80.182 75.720 71.677 67.997 64.637 61.560 58.726 54.121 53.331 52.602 51.943 51.362 50.867 50.460 50.133 49.867 49.634 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.002 132.175 121.313 112.009 103.951 96.903 90.685 85.156 80.205 75.743 71.701 68.023 64.666 61.593 58.770 54.074 53.257 52.491 51.782 51.135 50.555 50.045 49.605 49.229 48.905 48.614 48.341 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.028 132.200 121.337 112.032 103.973 96.925 90.707 85.178 80.226 75.765 71.724 68.048 64.693 61.624 58.809 54.043 53.206 52.415 51.672 50.981 50.345 49.767 49.248 48.787 48.378 48.014 47.683 47.375 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.053 132.225 121.361 112.055 103.995 96.946 90.728 85.199 80.248 75.787 71.747 68.072 64.718 61.652 58.842 54.023 53.172 52.362 51.595 50.873 50.198 49.573 48.998 48.474 47.999 47.569 47.178 46.819 46.485 46.170 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.078 132.249 121.385 112.077 104.017 96.968 90.749 85.220 80.269 75.809 71.770 68.095 64.743 61.677 58.870 54.011 53.149 52.325 51.540 50.796 50.093 49.434 48.819 48.248 47.722 47.238 46.794 46.385 46.007 45.654 45.323 99999.999 99999.999 99999.999 99999.999 99999.999 145.102 132.273 121.408 112.100 104.039 96.989 90.770 85.240 80.290 75.831 71.792 68.118 64.766 61.701 58.894 54.005 53.134 52.300 51.502 50.741 50.017 49.332 48.687 48.082 47.517 46.991 46.503 46.050 45.629 45.237 44.871 44.527 44.204 99999.999 99999.999 99999.999 145.127 132.298 121.431 112.122 104.060 97.010 90.790 85.261 80.311 75.852 71.813 68.140 64.788 61.723 58.915 54.004 53.126 52.283 51.475 50.700 49.961 49.257 48.589 47.958 47.362 46.803 46.279 45.790 45.332 44.904 44.503 44.127 43.774 43.442 99999.999 99999.999 145.151 132.321 121.454 112.144 104.081 97.030 90.811 85.281 80.331 75.873 71.835 68.162 64.810 61.743 58.934 54.006 53.123 52.273 51.456 50.672 49.920 49.201 48.516 47.864 47.245 46.660 46.107 45.587 45.097 44.638 44.205 43.799 43.417 43.057 42.718 42.399 145.174 132.345 121.477 112.166 104.102 97.051 90.831 85.301 80.352 75.893 71.856 68.183 64.831 61.764 58.952 54.012 53.124 52.269 51.445 50.652 49.890 49.160 48.460 47.792 47.155 46.549 45.973 45.428 44.912 44.425 43.965 43.531 43.121 42.734 42.369 42.025 145.398 132.570 121.695 112.376 104.304 97.247 91.023 85.492 80.543 76.087 72.053 68.383 65.032 61.961 59.139 54.140 53.232 52.351 51.498 50.670 49.868 49.090 48.335 47.602 46.892 46.204 45.536 44.888 44.260 43.652 43.063 42.492 41.939 41.403 40.885 40.383 145.601 132.779 121.898 112.571 104.493 97.429 91.201 85.667 80.717 76.262 72.231 68.564 65.215 62.145 59.321 54.308 53.394 52.508 51.648 50.812 50.000 49.210 48.443 47.697 46.971 46.264 45.576 44.907 44.255 43.620 43.001 42.398 41.810 41.237 40.678 40.132 145.787 132.974 122.090 112.756 104.671 97.602 91.368 85.831 80.880 76.425 72.394 68.729 65.382 62.314 59.491 54.476 53.561 52.673 51.811 50.972 50.157 49.365 48.594 47.843 47.113 46.401 45.708 45.032 44.372 43.729 43.102 42.490 41.892 41.307 40.737 40.179 145.961 133.159 122.272 112.933 104.841 97.766 91.528 85.987 81.033 76.576 72.546 68.882 65.537 62.470 59.649 54.636 53.721 52.833 51.970 51.131 50.316 49.522 48.750 47.999 47.267 46.553 45.858 45.180 44.519 43.874 43.244 42.629 42.028 41.440 40.866 40.304 146.124 133.335 122.447 113.102 105.005 97.924 91.680 86.136 81.179 76.720 72.689 69.026 65.681 62.617 59.797 54.786 53.872 52.984 52.121 51.283 50.467 49.674 48.902 48.150 47.418 46.705 46.010 45.331 44.670 44.024 43.394 42.778 42.177 41.589 41.014 40.451 146.279 133.505 122.616 113.266 105.163 98.076 91.828 86.279 81.318 76.858 72.825 69.161 65.818 62.754 59.936 54.927 54.013 53.126 52.264 51.426 50.611 49.818 49.046 48.295 47.563 46.850 46.155 45.477 44.816 44.171 43.541 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-71.325 -68.789 -66.475 -64.350 -60.562 -59.865 -59.185 -58.521 -57.870 -57.232 -56.605 -55.987 -55.377 -54.774 -54.177 -53.583 -52.993 -52.407 -51.823 -51.241 -50.662 -50.085 -49.511 -48.938 -48.367 -131.594 -121.340 -112.715 -105.354 -98.997 -93.453 -88.578 -84.261 -80.416 -76.972 -73.873 -71.071 -68.527 -66.206 -64.079 -60.316 -59.631 -58.966 -58.320 -57.693 -57.082 -56.488 -55.910 -55.346 -54.797 -54.260 -53.737 -53.225 -52.724 -52.234 -51.753 -51.282 -50.819 -50.364 -49.917 -49.476 -131.336 -121.093 -112.481 -105.130 -98.782 -93.244 -88.373 -84.058 -80.211 -76.763 -73.657 -70.848 -68.296 -65.967 -63.835 -60.067 -59.382 -58.719 -58.075 -57.450 -56.843 -56.254 -55.681 -55.125 -54.583 -54.057 -53.545 -53.046 -52.561 -52.088 -51.627 -51.177 -50.739 -50.312 -49.895 -49.488 -131.100 -120.862 -112.261 -104.920 -98.580 -93.049 -88.182 -83.869 -80.022 -76.572 -73.463 -70.648 -68.089 -65.754 -63.616 -59.837 -59.151 -58.486 -57.841 -57.215 -56.607 -56.017 -55.444 -54.888 -54.347 -53.821 -53.310 -52.813 -52.330 -51.860 -51.402 -50.957 -50.523 -50.101 -49.691 -49.290 -130.879 -120.645 -112.053 -104.722 -98.390 -92.865 -88.003 -83.693 -79.847 -76.397 -73.285 -70.466 -67.902 -65.562 -63.417 -59.627 -58.939 -58.272 -57.625 -56.997 -56.388 -55.796 -55.222 -54.664 -54.121 -53.594 -53.082 -52.583 -52.099 -51.628 -51.169 -50.723 -50.289 -49.867 -49.456 -49.056 -130.671 -120.439 -111.855 -104.533 -98.208 -92.690 -87.833 -83.527 -79.683 -76.232 -73.119 -70.298 -67.731 -65.386 -63.236 -59.436 -58.746 -58.077 -57.428 -56.798 -56.187 -55.593 -55.016 -54.456 -53.912 -53.383 -52.868 -52.368 -51.882 -51.409 -50.948 -50.501 -50.065 -49.640 -49.228 -48.826 -130.473 -120.242 -111.666 -104.351 -98.034 -92.522 -87.670 -83.368 -79.526 -76.077 -72.964 -70.141 -67.571 -65.223 -63.069 -59.260 -58.568 -57.897 -57.247 -56.615 -56.002 -55.406 -54.828 -54.266 -53.719 -53.188 -52.672 -52.170 -51.681 -51.206 -50.744 -50.294 -49.856 -49.429 -49.014 -48.610 -130.285 -120.052 -111.482 -104.176 -97.866 -92.360 -87.514 -83.215 -79.377 -75.929 -72.817 -69.993 -67.422 -65.071 -62.914 -59.098 -58.404 -57.732 -57.079 -56.446 -55.831 -55.234 -54.654 -54.090 -53.542 -53.009 -52.491 -51.987 -51.497 -51.020 -50.555 -50.103 -49.663 -49.235 -48.818 -48.412 99999.999 -119.867 -111.305 -104.006 -97.703 -92.204 -87.363 -83.068 -79.233 -75.787 -72.676 -69.853 -67.280 -64.928 -62.769 -58.947 -58.252 -57.578 -56.924 -56.289 -55.673 -55.074 -54.492 -53.927 -53.378 -52.843 -52.324 -51.818 -51.326 -50.847 -50.381 -49.928 -49.486 -49.056 -48.637 -48.229 Pr2O3(s) Pr2O3 P-T:All Wt.(g/mol) = 329.814 V(cc/mol) = 46.530 D(g/cc) = 7.088 Ref: RHF78 3 2.000 53 3.000 2 -6.000 1 68.842 61.520 55.244 49.819 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.842 61.520 55.244 49.819 45.081 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.844 61.522 55.245 49.821 45.083 40.899 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.848 61.525 55.249 49.824 45.086 40.901 37.167 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.854 61.531 55.254 49.829 45.091 40.906 37.172 33.805 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.863 61.540 55.262 49.837 45.098 40.914 37.180 33.813 30.748 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.878 61.553 55.275 49.849 45.110 40.926 37.192 33.825 30.761 27.941 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.899 61.573 55.293 49.867 45.127 40.942 37.209 33.843 30.780 27.961 25.332 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.928 61.599 55.318 49.890 45.150 40.965 37.232 33.867 30.805 27.989 25.364 22.881 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.966 61.634 55.351 49.922 45.181 40.996 37.263 33.899 30.839 28.026 25.407 22.932 20.573 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.016 61.680 55.394 49.963 45.221 41.035 37.303 33.940 30.883 28.074 25.461 22.998 20.650 18.445 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.079 61.739 55.449 50.016 45.272 41.086 37.353 33.993 30.938 28.134 25.530 23.081 20.751 18.530 16.639 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.127 61.784 55.492 50.056 45.311 41.125 37.393 34.033 30.980 28.180 25.583 23.145 20.830 18.614 16.498 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.196 61.848 55.552 50.114 45.367 41.180 37.448 34.090 31.040 28.244 25.656 23.233 20.940 18.745 16.549 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.264 61.911 55.612 50.171 45.422 41.234 37.503 34.146 31.099 28.308 25.727 23.318 21.047 18.879 16.694 22.377 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.331 61.973 55.670 50.227 45.476 41.287 37.556 34.201 31.156 28.369 25.796 23.400 21.150 19.012 16.868 17.320 19.142 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.397 62.035 55.728 50.282 45.530 41.340 37.609 34.255 31.213 28.430 25.864 23.480 21.248 19.139 17.048 16.117 16.536 17.561 19.191 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.462 62.096 55.786 50.337 45.583 41.392 37.661 34.308 31.268 28.489 25.929 23.556 21.342 19.260 17.222 15.598 15.571 15.828 16.449 17.411 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.527 62.156 55.842 50.391 45.635 41.443 37.713 34.360 31.322 28.546 25.993 23.629 21.430 19.373 17.386 15.324 15.095 15.029 15.169 15.546 16.137 16.827 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.590 62.215 55.898 50.444 45.687 41.494 37.763 34.412 31.376 28.603 26.054 23.699 21.514 19.478 17.536 15.167 14.828 14.595 14.492 14.544 14.761 15.122 15.563 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.652 62.274 55.953 50.497 45.738 41.544 37.813 34.463 31.428 28.659 26.114 23.766 21.593 19.575 17.671 15.077 14.670 14.338 14.097 13.963 13.948 14.053 14.261 14.534 14.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.714 62.331 56.008 50.549 45.788 41.594 37.862 34.513 31.480 28.713 26.173 23.831 21.667 19.663 17.791 15.028 14.575 14.180 13.853 13.604 13.443 13.375 13.399 13.501 13.657 13.839 14.015 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.775 62.389 56.062 50.601 45.838 41.642 37.911 34.562 31.531 28.766 26.230 23.894 21.737 19.745 17.896 15.006 14.520 14.082 13.697 13.373 13.117 12.933 12.824 12.787 12.812 12.885 12.987 13.099 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.835 62.445 56.116 50.652 45.887 41.691 37.959 34.611 31.581 28.819 26.286 23.954 21.803 19.820 17.988 15.002 14.493 14.023 13.599 13.222 12.900 12.636 12.432 12.291 12.208 12.178 12.189 12.230 12.291 12.362 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 69.894 62.501 56.169 50.702 45.936 41.738 38.007 34.659 31.630 28.870 26.340 24.012 21.865 19.888 18.068 15.011 14.484 13.992 13.538 13.124 12.755 12.433 12.162 11.943 11.776 11.659 11.586 11.551 11.546 11.565 11.603 99999.999 99999.999 99999.999 99999.999 99999.999 69.953 62.557 56.221 50.752 45.984 41.786 38.054 34.706 31.679 28.921 26.393 24.068 21.925 19.951 18.137 15.029 14.489 13.980 13.503 13.062 12.658 12.294 11.973 11.696 11.464 11.277 11.133 11.028 10.958 10.918 10.904 10.912 10.940 99999.999 99999.999 99999.999 70.011 62.611 56.273 50.802 46.032 41.832 38.100 34.753 31.727 28.970 26.445 24.122 21.982 20.010 18.198 15.055 14.504 13.981 13.488 13.025 12.595 12.200 11.841 11.520 11.239 10.997 10.794 10.629 10.499 10.402 10.334 10.293 10.275 10.282 99999.999 99999.999 70.068 62.666 56.324 50.851 46.079 41.879 38.146 34.799 31.774 29.019 26.496 24.176 22.037 20.066 18.253 15.086 14.527 13.993 13.487 13.008 12.557 12.138 11.750 11.396 11.075 10.790 10.540 10.325 10.144 9.995 9.876 9.786 9.722 9.683 9.668 9.678 70.125 62.719 56.375 50.899 46.126 41.924 38.191 34.845 31.821 29.068 26.546 24.228 22.091 20.120 18.306 15.122 14.555 14.013 13.496 13.004 12.538 12.099 11.689 11.308 10.958 10.638 10.350 10.094 9.870 9.676 9.511 9.375 9.266 9.183 9.126 9.092 70.658 63.229 56.860 51.362 46.572 42.358 38.620 35.274 32.257 29.516 27.011 24.710 22.588 20.626 18.810 15.565 14.973 14.397 13.839 13.297 12.771 12.261 11.766 11.286 10.821 10.371 9.936 9.516 9.110 8.718 8.342 7.980 7.632 7.300 6.981 6.678 71.140 63.698 57.308 51.790 46.984 42.758 39.012 35.664 32.649 29.916 27.422 25.134 23.026 21.078 19.271 16.030 15.434 14.855 14.290 13.741 13.205 12.684 12.175 11.679 11.195 10.722 10.261 9.811 9.371 8.942 8.522 8.112 7.712 7.320 6.938 6.564 71.584 64.135 57.727 52.191 47.369 43.131 39.377 36.024 33.009 30.280 27.793 25.515 23.419 21.482 19.687 16.462 15.869 15.291 14.728 14.180 13.644 13.122 12.613 12.115 11.629 11.153 10.688 10.233 9.787 9.350 8.922 8.503 8.091 7.687 7.290 6.900 71.996 64.546 58.122 52.570 47.733 43.484 39.720 36.361 33.344 30.616 28.133 25.863 23.775 21.848 20.063 16.858 16.268 15.694 15.134 14.588 14.056 13.537 13.030 12.534 12.050 11.576 11.113 10.659 10.214 9.778 9.351 8.931 8.520 8.115 7.717 7.326 72.383 64.936 58.499 52.932 48.081 43.819 40.046 36.681 33.659 30.930 28.450 26.184 24.103 22.184 20.408 17.221 16.634 16.063 15.507 14.965 14.436 13.920 13.416 12.924 12.443 11.973 11.512 11.062 10.620 10.187 9.763 9.346 8.937 8.536 8.141 7.752 72.750 65.309 58.860 53.279 48.414 44.141 40.358 36.985 33.959 31.227 28.747 26.484 24.408 22.495 20.726 17.555 16.972 16.404 15.851 15.312 14.786 14.274 13.773 13.284 12.807 12.340 11.883 11.435 10.997 10.568 10.147 9.734 9.329 8.931 8.540 8.155 73.100 65.669 59.209 53.614 48.736 44.451 40.658 37.278 34.246 31.511 29.029 26.767 24.694 22.786 21.022 17.864 17.284 16.719 16.169 15.633 15.110 14.601 14.103 13.617 13.143 12.679 12.225 11.781 11.346 10.920 10.503 10.093 9.691 9.297 8.909 8.528 99999.999 66.018 59.547 53.938 49.048 44.751 40.948 37.560 34.522 31.783 29.299 27.036 24.964 23.059 21.300 18.152 17.575 17.012 16.465 15.931 15.411 14.904 14.409 13.926 13.454 12.993 12.542 12.101 11.669 11.246 10.831 10.425 10.026 9.635 9.250 8.873 scandium Sc P-T:All Wt.(g/mol) = 44.956 V(cc/mol) = 15.038 D(g/cc) = 2.989 Ref: RHF78 5 1.000 49 1.500 2 0.375 6 -3.375 1 -0.375 4 126.773 115.401 105.816 97.632 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.773 115.401 105.816 97.632 90.563 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.774 115.402 105.816 97.633 90.564 84.395 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.774 115.402 105.817 97.633 90.565 84.396 78.963 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.776 115.404 105.819 97.635 90.566 84.398 78.964 74.139 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.778 115.406 105.821 97.637 90.569 84.400 78.967 74.141 69.824 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.782 115.410 105.824 97.641 90.572 84.403 78.970 74.145 69.828 65.938 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.787 115.415 105.829 97.646 90.577 84.408 78.976 74.151 69.834 65.945 62.413 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.793 115.422 105.836 97.652 90.584 84.415 78.983 74.159 69.843 65.954 62.424 59.197 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.802 115.431 105.845 97.661 90.593 84.424 78.992 74.169 69.854 65.966 62.438 59.213 56.260 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.814 115.443 105.857 97.673 90.604 84.436 79.005 74.182 69.868 65.981 62.456 59.235 56.282 53.611 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.829 115.458 105.872 97.688 90.619 84.451 79.020 74.198 69.885 66.001 62.479 59.263 56.314 53.619 51.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.840 115.470 105.884 97.699 90.631 84.463 79.032 74.211 69.899 66.016 62.496 59.284 56.339 53.639 51.210 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.856 115.486 105.900 97.715 90.647 84.479 79.049 74.229 69.918 66.037 62.521 59.314 56.377 53.676 51.172 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.871 115.502 105.916 97.731 90.662 84.495 79.066 74.246 69.937 66.058 62.544 59.343 56.413 53.719 51.200 52.586 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.886 115.518 105.932 97.747 90.678 84.511 79.082 74.263 69.955 66.078 62.567 59.371 56.449 53.764 51.251 49.316 50.121 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.900 115.533 105.947 97.762 90.693 84.526 79.098 74.280 69.973 66.097 62.590 59.398 56.483 53.808 51.311 48.518 48.416 48.730 49.497 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.914 115.548 105.962 97.777 90.708 84.541 79.113 74.296 69.990 66.116 62.611 59.424 56.515 53.850 51.372 48.152 47.765 47.578 47.648 47.980 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.928 115.563 105.977 97.792 90.723 84.556 79.129 74.312 70.007 66.135 62.632 59.449 56.546 53.889 51.430 47.944 47.427 47.029 46.781 46.708 46.805 47.011 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.942 115.578 105.992 97.806 90.737 84.571 79.144 74.328 70.024 66.153 62.652 59.472 56.574 53.926 51.484 47.812 47.222 46.716 46.309 46.018 45.854 45.808 45.847 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.955 115.592 106.006 97.821 90.752 84.585 79.158 74.343 70.041 66.171 62.672 59.495 56.601 53.959 51.532 47.724 47.088 46.517 46.019 45.605 45.284 45.058 44.920 44.850 44.816 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.967 115.606 106.020 97.835 90.766 84.600 79.173 74.359 70.057 66.188 62.691 59.516 56.626 53.989 51.574 47.662 46.996 46.383 45.828 45.338 44.918 44.574 44.305 44.106 43.962 43.854 43.765 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.980 115.620 106.034 97.849 90.780 84.614 79.187 74.374 70.072 66.205 62.710 59.537 56.649 54.016 51.610 47.620 46.932 46.289 45.695 45.155 44.671 44.248 43.887 43.589 43.346 43.151 42.991 42.854 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 126.992 115.633 106.048 97.862 90.793 84.627 79.201 74.388 70.088 66.222 62.727 59.556 56.670 54.040 51.640 47.590 46.886 46.222 45.601 45.025 44.496 44.019 43.594 43.222 42.902 42.630 42.398 42.200 42.027 41.873 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 127.004 115.646 106.061 97.876 90.807 84.641 79.215 74.403 70.103 66.238 62.745 59.575 56.690 54.062 51.665 47.569 46.853 46.173 45.532 44.930 44.370 43.853 43.382 42.956 42.577 42.242 41.948 41.691 41.465 41.265 41.086 99999.999 99999.999 99999.999 99999.999 99999.999 127.015 115.659 106.075 97.889 90.820 84.654 79.229 74.417 70.118 66.254 62.762 59.593 56.709 54.081 51.685 47.556 46.829 46.138 45.481 44.860 44.276 43.730 43.225 42.759 42.335 41.951 41.606 41.297 41.021 40.775 40.554 40.355 40.177 99999.999 99999.999 99999.999 127.027 115.672 106.088 97.902 90.833 84.667 79.242 74.431 70.133 66.269 62.778 59.610 56.727 54.099 51.702 47.548 46.814 46.112 45.443 44.807 44.205 43.638 43.106 42.610 42.151 41.729 41.343 40.991 40.671 40.382 40.121 39.884 39.670 39.477 99999.999 99999.999 127.038 115.685 106.101 97.915 90.846 84.680 79.255 74.444 70.147 66.285 62.794 59.627 56.744 54.115 51.716 47.544 46.803 46.094 45.415 44.768 44.152 43.567 43.015 42.496 42.010 41.558 41.138 40.751 40.395 40.069 39.770 39.498 39.249 39.023 38.817 38.632 127.049 115.697 106.113 97.928 90.858 84.693 79.268 74.458 70.161 66.300 62.810 59.644 56.761 54.131 51.730 47.543 46.798 46.082 45.395 44.738 44.111 43.513 42.946 42.408 41.901 41.424 40.978 40.562 40.176 39.817 39.486 39.181 38.901 38.643 38.406 38.191 127.143 115.810 106.231 98.046 90.977 84.812 79.389 74.583 70.292 66.437 62.955 59.795 56.916 54.285 51.873 47.624 46.856 46.112 45.393 44.697 44.023 43.371 42.740 42.130 41.539 40.968 40.416 39.883 39.368 38.871 38.391 37.928 37.482 37.052 36.638 36.239 127.217 115.908 106.335 98.152 91.083 84.918 79.497 74.692 70.405 66.556 63.080 59.927 57.053 54.425 52.015 47.753 46.980 46.230 45.503 44.798 44.114 43.450 42.805 42.179 41.571 40.981 40.406 39.848 39.306 38.778 38.265 37.765 37.279 36.806 36.346 35.898 127.276 115.993 106.428 98.247 91.179 85.015 79.594 74.791 70.507 66.661 63.191 60.043 57.174 54.551 52.144 47.884 47.110 46.359 45.631 44.924 44.237 43.570 42.922 42.291 41.678 41.082 40.502 39.937 39.386 38.850 38.328 37.818 37.321 36.836 36.362 35.900 127.323 116.068 106.512 98.334 91.267 85.103 79.683 74.881 70.599 66.756 63.289 60.146 57.283 54.665 52.262 48.008 47.234 46.484 45.756 45.048 44.362 43.694 43.046 42.415 41.801 41.203 40.622 40.055 39.503 38.964 38.439 37.927 37.427 36.938 36.461 35.995 127.360 116.135 106.589 98.415 91.349 85.186 79.766 74.965 70.683 66.843 63.379 60.239 57.380 54.766 52.368 48.121 47.349 46.600 45.872 45.166 44.480 43.814 43.166 42.535 41.922 41.325 40.743 40.177 39.625 39.086 38.561 38.048 37.548 37.059 36.582 36.115 127.389 116.196 106.661 98.491 91.426 85.263 79.843 75.043 70.762 66.923 63.462 60.325 57.469 54.859 52.465 48.225 47.454 46.706 45.980 45.275 44.591 43.925 43.278 42.649 42.036 41.440 40.859 40.294 39.742 39.205 38.681 38.169 37.669 37.181 36.705 36.239 127.411 116.253 106.728 98.562 91.499 85.337 79.917 75.116 70.837 66.999 63.539 60.404 57.551 54.944 52.553 48.321 47.551 46.804 46.080 45.376 44.692 44.028 43.382 42.754 42.143 41.548 40.968 40.404 39.853 39.317 38.794 38.283 37.785 37.298 36.822 36.357 99999.999 116.305 106.792 98.630 91.568 85.406 79.987 75.187 70.907 67.070 63.611 60.478 57.627 55.023 52.635 48.409 47.640 46.895 46.171 45.469 44.786 44.123 43.478 42.851 42.241 41.647 41.069 40.506 39.957 39.421 38.899 38.390 37.892 37.407 36.932 36.469 Sc2O3(s) Sc2O3 P-T:All Wt.(g/mol) = 137.910 V(cc/mol) = 35.910 D(g/cc) = 3.840 Ref: RHF78 3 2.000 49 3.000 2 -6.000 1 14.301 11.452 9.045 6.994 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.301 11.452 9.045 6.994 5.224 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.302 11.453 9.046 6.995 5.225 3.673 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.305 11.455 9.048 6.998 5.227 3.675 2.293 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.309 11.459 9.052 7.001 5.231 3.679 2.296 1.045 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.315 11.465 9.058 7.007 5.236 3.685 2.302 1.051 -0.100 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.325 11.474 9.066 7.015 5.245 3.693 2.312 1.061 -0.089 -1.168 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.338 11.487 9.079 7.027 5.257 3.706 2.324 1.075 -0.074 -1.151 -2.189 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.357 11.505 9.096 7.044 5.273 3.722 2.342 1.094 -0.053 -1.127 -2.161 -3.184 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.381 11.528 9.118 7.066 5.295 3.745 2.366 1.119 -0.025 -1.096 -2.123 -3.137 -4.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.413 11.558 9.147 7.095 5.324 3.774 2.396 1.152 0.011 -1.055 -2.075 -3.077 -4.076 -5.018 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.453 11.597 9.185 7.131 5.360 3.811 2.435 1.193 0.056 -1.004 -2.014 -3.000 -3.981 -4.945 -5.606 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.484 11.626 9.213 7.159 5.388 3.839 2.464 1.224 0.090 -0.966 -1.968 -2.942 -3.907 -4.869 -5.794 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.527 11.668 9.253 7.198 5.427 3.879 2.506 1.269 0.138 -0.911 -1.904 -2.862 -3.803 -4.745 -5.771 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.569 11.709 9.293 7.237 5.466 3.918 2.546 1.312 0.185 -0.859 -1.842 -2.784 -3.702 -4.616 -5.638 3.596 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.611 11.749 9.332 7.275 5.503 3.956 2.586 1.354 0.231 -0.807 -1.782 -2.710 -3.605 -4.488 -5.469 -2.326 0.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.651 11.788 9.370 7.312 5.541 3.994 2.625 1.396 0.276 -0.757 -1.724 -2.638 -3.513 -4.365 -5.291 -3.741 -2.759 -1.073 1.338 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.691 11.827 9.407 7.349 5.577 4.031 2.663 1.436 0.320 -0.709 -1.668 -2.570 -3.426 -4.249 -5.118 -4.364 -3.899 -3.114 -1.911 -0.302 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.729 11.865 9.444 7.385 5.613 4.067 2.701 1.476 0.363 -0.662 -1.614 -2.505 -3.344 -4.140 -4.955 -4.702 -4.472 -4.064 -3.426 -2.516 -1.357 -0.072 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.767 11.902 9.481 7.421 5.648 4.103 2.738 1.515 0.404 -0.616 -1.561 -2.443 -3.268 -4.040 -4.807 -4.904 -4.802 -4.589 -4.234 -3.708 -2.996 -2.118 -1.143 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.804 11.939 9.516 7.456 5.683 4.138 2.774 1.553 0.445 -0.571 -1.511 -2.384 -3.196 -3.949 -4.675 -5.028 -5.006 -4.907 -4.714 -4.406 -3.968 -3.397 -2.710 -1.946 -1.165 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.841 11.975 9.551 7.490 5.717 4.173 2.810 1.590 0.486 -0.527 -1.462 -2.328 -3.129 -3.866 -4.559 -5.104 -5.136 -5.111 -5.018 -4.844 -4.578 -4.212 -3.746 -3.193 -2.580 -1.939 -1.305 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.876 12.010 9.586 7.524 5.750 4.206 2.844 1.627 0.525 -0.484 -1.415 -2.275 -3.067 -3.792 -4.458 -5.149 -5.218 -5.244 -5.218 -5.133 -4.979 -4.750 -4.441 -4.055 -3.602 -3.099 -2.566 -2.023 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.911 12.045 9.620 7.557 5.783 4.240 2.879 1.663 0.563 -0.442 -1.369 -2.223 -3.009 -3.724 -4.372 -5.173 -5.269 -5.331 -5.352 -5.328 -5.251 -5.116 -4.919 -4.658 -4.335 -3.958 -3.537 -3.086 -2.618 -2.141 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.945 12.079 9.653 7.590 5.816 4.273 2.913 1.698 0.601 -0.402 -1.324 -2.174 -2.955 -3.663 -4.300 -5.180 -5.297 -5.386 -5.442 -5.462 -5.440 -5.372 -5.255 -5.086 -4.863 -4.591 -4.273 -3.916 -3.530 -3.121 -2.697 99999.999 99999.999 99999.999 99999.999 99999.999 14.978 12.112 9.686 7.622 5.848 4.305 2.946 1.733 0.638 -0.362 -1.281 -2.127 -2.903 -3.608 -4.238 -5.177 -5.310 -5.419 -5.501 -5.553 -5.571 -5.553 -5.495 -5.394 -5.249 -5.059 -4.827 -4.556 -4.250 -3.915 -3.557 -3.177 -2.780 99999.999 99999.999 99999.999 15.011 12.145 9.718 7.654 5.880 4.337 2.978 1.767 0.674 -0.323 -1.239 -2.082 -2.855 -3.557 -4.185 -5.165 -5.310 -5.435 -5.537 -5.614 -5.663 -5.682 -5.668 -5.619 -5.532 -5.408 -5.246 -5.046 -4.813 -4.549 -4.256 -3.939 -3.599 -3.239 99999.999 99999.999 15.043 12.178 9.750 7.685 5.911 4.368 3.010 1.801 0.710 -0.285 -1.197 -2.038 -2.809 -3.510 -4.138 -5.146 -5.301 -5.439 -5.556 -5.652 -5.725 -5.773 -5.793 -5.784 -5.743 -5.670 -5.563 -5.424 -5.252 -5.050 -4.819 -4.562 -4.280 -3.975 -3.648 -3.299 15.075 12.210 9.782 7.716 5.941 4.399 3.042 1.834 0.745 -0.247 -1.157 -1.995 -2.764 -3.465 -4.095 -5.122 -5.286 -5.433 -5.563 -5.674 -5.766 -5.836 -5.882 -5.904 -5.899 -5.867 -5.805 -5.714 -5.595 -5.446 -5.270 -5.068 -4.841 -4.589 -4.315 -4.019 15.358 12.504 10.073 8.003 6.226 4.685 3.334 2.137 1.064 0.094 -0.792 -1.605 -2.353 -3.041 -3.671 -4.769 -4.964 -5.150 -5.329 -5.499 -5.661 -5.816 -5.962 -6.101 -6.230 -6.352 -6.465 -6.569 -6.663 -6.749 -6.824 -6.890 -6.946 -6.991 -7.026 -7.050 15.592 12.758 10.329 8.258 6.479 4.938 3.590 2.400 1.340 0.385 -0.482 -1.274 -2.002 -2.672 -3.288 -4.379 -4.576 -4.767 -4.952 -5.132 -5.305 -5.473 -5.636 -5.794 -5.947 -6.095 -6.239 -6.378 -6.513 -6.643 -6.770 -6.892 -7.010 -7.125 -7.235 -7.342 15.789 12.982 10.558 8.486 6.706 5.165 3.820 2.635 1.583 0.640 -0.212 -0.988 -1.698 -2.350 -2.950 -4.017 -4.211 -4.399 -4.582 -4.760 -4.933 -5.101 -5.264 -5.424 -5.580 -5.731 -5.880 -6.025 -6.167 -6.306 -6.443 -6.577 -6.709 -6.838 -6.966 -7.092 15.956 13.182 10.765 8.694 6.913 5.372 4.028 2.847 1.800 0.866 0.026 -0.736 -1.430 -2.067 -2.652 -3.690 -3.880 -4.063 -4.242 -4.415 -4.584 -4.749 -4.909 -5.066 -5.218 -5.368 -5.514 -5.658 -5.798 -5.936 -6.072 -6.206 -6.338 -6.469 -6.597 -6.725 16.099 13.362 10.955 8.885 7.104 5.563 4.220 3.041 1.999 1.071 0.240 -0.510 -1.192 -1.815 -2.386 -3.398 -3.582 -3.761 -3.934 -4.103 -4.267 -4.427 -4.583 -4.735 -4.883 -5.029 -5.171 -5.310 -5.447 -5.581 -5.713 -5.844 -5.972 -6.099 -6.224 -6.349 16.223 13.526 11.129 9.062 7.282 5.740 4.398 3.220 2.182 1.259 0.435 -0.307 -0.978 -1.589 -2.148 -3.135 -3.314 -3.488 -3.657 -3.821 -3.980 -4.135 -4.287 -4.434 -4.578 -4.719 -4.856 -4.991 -5.123 -5.253 -5.381 -5.506 -5.630 -5.753 -5.873 -5.993 16.332 13.678 11.292 9.228 7.448 5.907 4.564 3.388 2.352 1.433 0.614 -0.120 -0.783 -1.384 -1.933 -2.897 -3.072 -3.241 -3.406 -3.565 -3.720 -3.871 -4.018 -4.161 -4.301 -4.437 -4.570 -4.701 -4.829 -4.954 -5.077 -5.198 -5.317 -5.435 -5.551 -5.666 99999.999 13.820 11.445 9.384 7.605 6.064 4.722 3.546 2.512 1.596 0.781 0.052 -0.604 -1.197 -1.736 -2.681 -2.852 -3.017 -3.178 -3.333 -3.485 -3.631 -3.774 -3.913 -4.049 -4.181 -4.310 -4.437 -4.561 -4.682 -4.801 -4.918 -5.033 -5.146 -5.258 -5.369 samarium Sm P-T:All Wt.(g/mol) = 150.360 V(cc/mol) = 19.980 D(g/cc) = 7.526 Ref: RHF78 5 1.000 56 1.500 2 0.375 6 -3.375 1 -0.375 4 141.825 129.255 118.612 109.491 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.825 129.255 118.612 109.491 101.588 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.826 129.256 118.612 109.492 101.589 94.671 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.827 129.257 118.614 109.493 101.590 94.673 88.563 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.830 129.260 118.616 109.496 101.592 94.675 88.565 83.126 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.834 129.263 118.620 109.499 101.596 94.678 88.569 83.129 78.251 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.839 129.269 118.625 109.505 101.601 94.683 88.574 83.135 78.257 73.851 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.848 129.277 118.633 109.512 101.609 94.691 88.581 83.142 78.264 73.859 69.854 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.859 129.288 118.644 109.523 101.619 94.701 88.591 83.152 78.275 73.871 69.866 66.201 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.874 129.303 118.658 109.537 101.632 94.714 88.605 83.166 78.289 73.886 69.883 66.219 62.856 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.893 129.323 118.677 109.555 101.650 94.731 88.622 83.184 78.307 73.905 69.904 66.244 62.881 59.818 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.918 129.347 118.701 109.578 101.672 94.754 88.644 83.206 78.330 73.930 69.931 66.275 62.916 59.834 57.163 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.937 129.366 118.720 109.596 101.690 94.771 88.661 83.223 78.348 73.948 69.952 66.299 62.944 59.857 57.051 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.964 129.393 118.746 109.621 101.714 94.795 88.685 83.248 78.373 73.975 69.981 66.333 62.984 59.898 57.030 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.990 129.420 118.772 109.646 101.739 94.819 88.709 83.272 78.398 74.001 70.009 66.366 63.023 59.944 57.064 56.891 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.016 129.446 118.797 109.671 101.763 94.842 88.733 83.296 78.422 74.026 70.037 66.398 63.062 59.990 57.117 54.157 54.582 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.041 129.472 118.822 109.695 101.786 94.866 88.756 83.319 78.446 74.051 70.064 66.429 63.099 60.036 57.178 53.490 53.156 53.174 53.568 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.067 129.497 118.847 109.719 101.810 94.888 88.779 83.342 78.470 74.076 70.091 66.458 63.134 60.080 57.239 53.188 52.613 52.212 52.032 52.071 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.091 129.523 118.872 109.743 101.833 94.911 88.801 83.364 78.493 74.100 70.116 66.487 63.168 60.121 57.297 53.018 52.334 51.756 51.311 51.016 50.865 50.804 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.115 129.547 118.896 109.766 101.856 94.933 88.823 83.387 78.516 74.124 70.142 66.515 63.200 60.160 57.351 52.914 52.168 51.499 50.919 50.443 50.076 49.812 49.620 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.139 129.572 118.920 109.790 101.878 94.956 88.845 83.409 78.538 74.147 70.166 66.542 63.230 60.196 57.400 52.846 52.062 51.338 50.682 50.101 49.604 49.191 48.856 48.579 48.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.163 129.596 118.944 109.813 101.900 94.977 88.867 83.431 78.560 74.170 70.190 66.567 63.259 60.229 57.444 52.801 51.991 51.231 50.527 49.882 49.303 48.792 48.349 47.966 47.634 47.334 47.051 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.186 129.620 118.967 109.835 101.923 94.999 88.888 83.452 78.582 74.192 70.213 66.592 63.286 60.259 57.482 52.771 51.942 51.158 50.421 49.735 49.101 48.524 48.004 47.541 47.128 46.757 46.419 46.103 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.209 129.644 118.990 109.858 101.944 95.020 88.909 83.473 78.603 74.214 70.236 66.616 63.311 60.287 57.514 52.752 51.910 51.108 50.348 49.631 48.961 48.338 47.764 47.240 46.763 46.329 45.934 45.569 45.229 44.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.231 129.667 119.013 109.880 101.966 95.042 88.930 83.494 78.625 74.236 70.259 66.640 63.336 60.313 57.543 52.741 51.889 51.073 50.296 49.558 48.860 48.204 47.592 47.023 46.497 46.012 45.565 45.153 44.770 44.412 44.074 99999.999 99999.999 99999.999 99999.999 99999.999 142.254 129.690 119.036 109.902 101.987 95.063 88.951 83.515 78.646 74.257 70.281 66.662 63.359 60.336 57.567 52.737 51.875 51.049 50.259 49.505 48.787 48.107 47.466 46.863 46.299 45.774 45.285 44.831 44.407 44.012 43.641 43.292 42.963 99999.999 99999.999 99999.999 142.276 129.713 119.058 109.924 102.009 95.083 88.971 83.535 78.666 74.278 70.302 66.684 63.381 60.358 57.588 52.736 51.868 51.034 50.233 49.467 48.734 48.035 47.372 46.744 46.151 45.594 45.071 44.581 44.122 43.691 43.288 42.908 42.551 42.214 99999.999 99999.999 142.297 129.736 119.081 109.946 102.030 95.104 88.992 83.555 78.687 74.299 70.323 66.706 63.402 60.378 57.607 52.739 51.866 51.025 50.216 49.440 48.695 47.982 47.302 46.654 46.039 45.456 44.905 44.386 43.896 43.436 43.002 42.593 42.208 41.844 41.501 41.178 142.318 129.758 119.103 109.967 102.050 95.124 89.012 83.575 78.707 74.319 70.344 66.727 63.423 60.399 57.625 52.745 51.867 51.021 50.206 49.421 48.666 47.942 47.249 46.585 45.952 45.350 44.777 44.233 43.719 43.231 42.771 42.336 41.924 41.535 41.167 40.819 142.517 129.970 119.313 110.171 102.249 95.318 89.202 83.764 78.896 74.512 70.540 66.925 63.623 60.594 57.810 52.874 51.977 51.106 50.263 49.444 48.650 47.880 47.133 46.408 45.705 45.022 44.360 43.718 43.096 42.492 41.907 41.340 40.790 40.258 39.743 39.244 142.692 130.163 119.506 110.361 102.433 95.497 89.377 83.937 79.069 74.685 70.716 67.104 63.803 60.776 57.990 53.041 52.138 51.262 50.412 49.585 48.782 48.001 47.242 46.503 45.785 45.085 44.404 43.741 43.095 42.465 41.852 41.254 40.671 40.102 39.547 39.006 142.851 130.343 119.688 110.538 102.606 95.665 89.541 84.098 79.229 74.845 70.877 67.267 63.968 60.943 58.158 53.206 52.303 51.425 50.572 49.744 48.938 48.154 47.391 46.649 45.926 45.221 44.534 43.865 43.212 42.575 41.953 41.346 40.753 40.174 39.608 39.055 142.995 130.511 119.859 110.707 102.770 95.824 89.696 84.250 79.379 74.994 71.026 67.417 64.120 61.097 58.314 53.364 52.460 51.582 50.729 49.900 49.094 48.309 47.545 46.802 46.077 45.371 44.683 44.012 43.357 42.718 42.094 41.484 40.888 40.306 39.736 39.179 143.128 130.670 120.022 110.868 102.926 95.976 89.844 84.395 79.521 75.134 71.166 67.558 64.262 61.240 58.459 53.511 52.608 51.730 50.878 50.049 49.243 48.458 47.694 46.951 46.226 45.520 44.832 44.160 43.505 42.865 42.241 41.631 41.034 40.451 39.881 39.324 143.253 130.822 120.179 111.023 103.078 96.123 89.987 84.534 79.657 75.269 71.299 67.691 64.396 61.375 58.594 53.649 52.747 51.870 51.018 50.189 49.383 48.599 47.836 47.092 46.368 45.663 44.974 44.303 43.648 43.009 42.385 41.775 41.179 40.596 40.027 39.469 143.370 130.968 120.330 111.172 103.224 96.265 90.125 84.668 79.788 75.397 71.426 67.817 64.522 61.501 58.722 53.780 52.877 52.001 51.149 50.321 49.516 48.732 47.969 47.226 46.503 45.797 45.110 44.439 43.785 43.146 42.522 41.913 41.317 40.735 40.166 39.609 99999.999 131.109 120.476 111.318 103.366 96.403 90.259 84.799 79.915 75.522 71.549 67.938 64.642 61.622 58.843 53.903 53.001 52.125 51.273 50.446 49.641 48.858 48.095 47.353 46.630 45.925 45.238 44.568 43.914 43.275 42.652 42.043 41.449 40.867 40.299 39.742 Sm2O3(s) Sm2O3 P-T:All Wt.(g/mol) = 348.798 V(cc/mol) = 45.040 D(g/cc) = 7.744 Ref: RHF78 3 2.000 56 3.000 2 -6.000 1 48.761 43.133 38.283 34.077 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.761 43.133 38.283 34.077 30.390 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.763 43.135 38.285 34.079 30.392 27.124 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.766 43.138 38.288 34.082 30.395 27.127 24.199 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.772 43.144 38.293 34.087 30.400 27.132 24.204 21.551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.781 43.152 38.302 34.095 30.407 27.140 24.212 21.559 19.132 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.795 43.166 38.314 34.107 30.419 27.152 24.224 21.572 19.145 16.897 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.815 43.184 38.332 34.124 30.436 27.168 24.241 21.589 19.163 16.917 14.804 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.842 43.210 38.357 34.148 30.459 27.191 24.264 21.613 19.189 16.945 14.836 12.822 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.878 43.245 38.390 34.179 30.490 27.222 24.295 21.645 19.223 16.982 14.879 12.873 10.939 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.925 43.289 38.433 34.221 30.530 27.262 24.335 21.687 19.267 17.029 14.933 12.938 11.017 9.197 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 48.985 43.347 38.487 34.273 30.581 27.312 24.386 21.740 19.322 17.090 15.002 13.021 11.118 9.285 7.734 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.030 43.390 38.529 34.313 30.621 27.351 24.425 21.780 19.365 17.136 15.054 13.084 11.196 9.368 7.603 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.095 43.453 38.589 34.371 30.676 27.406 24.481 21.837 19.425 17.201 15.128 13.172 11.306 9.499 7.659 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.159 43.514 38.647 34.427 30.731 27.461 24.536 21.893 19.483 17.264 15.199 13.257 11.412 9.633 7.804 13.770 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.222 43.574 38.705 34.483 30.786 27.514 24.590 21.949 19.541 17.325 15.268 13.339 11.514 9.764 7.978 8.919 10.756 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.283 43.634 38.762 34.538 30.839 27.567 24.643 22.003 19.597 17.386 15.335 13.418 11.612 9.890 8.156 7.765 8.256 9.325 10.964 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.344 43.693 38.819 34.592 30.892 27.619 24.695 22.056 19.653 17.445 15.400 13.494 11.705 10.010 8.329 7.269 7.332 7.664 8.341 9.340 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.404 43.751 38.874 34.646 30.944 27.670 24.746 22.108 19.707 17.503 15.464 13.567 11.793 10.122 8.491 7.008 6.878 6.899 7.116 7.558 8.198 8.927 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.463 43.808 38.929 34.698 30.995 27.721 24.797 22.160 19.761 17.559 15.526 13.637 11.876 10.226 8.639 6.861 6.624 6.486 6.470 6.600 6.884 7.302 7.793 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.521 43.865 38.983 34.751 31.046 27.771 24.847 22.211 19.813 17.615 15.586 13.704 11.954 10.323 8.773 6.778 6.475 6.242 6.094 6.045 6.107 6.282 6.552 6.880 7.218 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.578 43.920 39.037 34.802 31.096 27.820 24.896 22.261 19.865 17.669 15.644 13.768 12.028 10.411 8.892 6.733 6.386 6.093 5.862 5.703 5.626 5.635 5.730 5.896 6.111 6.346 6.573 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.634 43.975 39.090 34.853 31.146 27.869 24.945 22.310 19.916 17.722 15.701 13.831 12.098 10.492 8.996 6.714 6.337 6.002 5.716 5.485 5.316 5.214 5.182 5.215 5.307 5.440 5.598 5.763 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.690 44.030 39.142 34.904 31.195 27.917 24.993 22.359 19.966 17.775 15.756 13.890 12.163 10.566 9.088 6.713 6.313 5.949 5.624 5.343 5.111 4.932 4.810 4.744 4.732 4.767 4.841 4.940 5.055 5.178 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 49.744 44.083 39.194 34.954 31.243 27.965 25.040 22.407 20.015 17.826 15.811 13.948 12.226 10.635 9.167 6.725 6.308 5.921 5.568 5.251 4.974 4.741 4.553 4.413 4.321 4.274 4.267 4.295 4.349 4.423 4.513 99999.999 99999.999 99999.999 99999.999 99999.999 49.798 44.137 39.245 35.003 31.291 28.012 25.087 22.454 20.064 17.876 15.864 14.004 12.285 10.698 9.236 6.745 6.315 5.912 5.537 5.194 4.884 4.610 4.375 4.180 4.026 3.912 3.837 3.798 3.790 3.809 3.851 3.912 3.991 99999.999 99999.999 99999.999 49.851 44.189 39.296 35.052 31.338 28.058 25.133 22.501 20.111 17.926 15.915 14.059 12.342 10.756 9.297 6.772 6.332 5.916 5.525 5.162 4.827 4.523 4.251 4.014 3.812 3.646 3.516 3.420 3.355 3.320 3.311 3.325 3.361 3.418 99999.999 99999.999 49.904 44.241 39.346 35.100 31.385 28.104 25.179 22.547 20.159 17.975 15.966 14.112 12.397 10.812 9.352 6.804 6.356 5.930 5.527 5.147 4.793 4.466 4.167 3.897 3.658 3.451 3.276 3.132 3.018 2.934 2.876 2.844 2.836 2.851 2.887 2.946 49.956 44.292 39.395 35.148 31.431 28.149 25.224 22.592 20.205 18.023 16.016 14.164 12.450 10.866 9.405 6.841 6.386 5.952 5.538 5.146 4.777 4.432 4.111 3.816 3.548 3.308 3.097 2.914 2.759 2.631 2.531 2.455 2.405 2.377 2.373 2.390 50.439 44.777 39.865 35.601 31.871 28.579 25.649 23.019 20.639 18.470 16.479 14.643 12.945 11.370 9.908 7.287 6.807 6.341 5.889 5.449 5.023 4.609 4.208 3.819 3.442 3.078 2.725 2.385 2.057 1.741 1.438 1.147 0.868 0.602 0.349 0.108 50.869 45.217 40.295 36.017 32.275 28.973 26.037 23.405 21.028 18.866 16.887 15.064 13.380 11.818 10.365 7.749 7.267 6.797 6.339 5.893 5.458 5.033 4.619 4.215 3.820 3.434 3.057 2.688 2.328 1.976 1.632 1.296 0.967 0.645 0.330 0.022 51.257 45.623 40.695 36.405 32.650 29.339 26.396 23.760 21.384 19.225 17.254 15.441 13.769 12.218 10.777 8.177 7.697 7.230 6.774 6.328 5.894 5.469 5.054 4.649 4.252 3.863 3.483 3.110 2.744 2.385 2.033 1.688 1.348 1.014 0.686 0.363 51.613 46.002 41.069 36.769 33.003 29.682 26.732 24.092 21.713 19.557 17.589 15.784 14.121 12.580 11.149 8.569 8.092 7.628 7.175 6.733 6.301 5.879 5.467 5.064 4.669 4.282 3.903 3.532 3.168 2.810 2.459 2.114 1.774 1.440 1.111 0.787 51.942 46.359 41.424 37.115 33.339 30.008 27.050 24.404 22.022 19.865 17.900 16.101 14.443 12.911 11.489 8.926 8.453 7.993 7.543 7.104 6.676 6.258 5.849 5.449 5.057 4.674 4.298 3.930 3.569 3.214 2.866 2.524 2.187 1.856 1.530 1.209 52.250 46.698 41.762 37.445 33.659 30.319 27.353 24.701 22.315 20.157 18.192 16.395 14.743 13.217 11.802 9.255 8.785 8.328 7.882 7.446 7.021 6.606 6.200 5.803 5.415 5.035 4.663 4.299 3.941 3.590 3.245 2.907 2.574 2.246 1.924 1.606 52.540 47.022 42.087 37.762 33.967 30.618 27.643 24.985 22.595 20.434 18.468 16.672 15.023 13.502 12.092 9.559 9.092 8.638 8.194 7.762 7.340 6.927 6.525 6.131 5.746 5.369 5.000 4.639 4.284 3.936 3.595 3.260 2.931 2.607 2.288 1.974 99999.999 47.335 42.400 38.068 34.264 30.906 27.924 25.259 22.864 20.699 18.732 16.936 15.288 13.770 12.365 9.842 9.378 8.925 8.485 8.055 7.635 7.225 6.825 6.434 6.052 5.678 5.312 4.953 4.601 4.257 3.918 3.586 3.260 2.939 2.623 2.313 terbium Tb P-T:All Wt.(g/mol) = 158.925 V(cc/mol) = 19.290 D(g/cc) = 8.239 Ref: RHF78 5 1.000 59 1.500 2 0.375 6 -3.375 1 -0.375 4 142.237 129.548 118.816 109.627 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.237 129.548 118.816 109.627 101.671 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.237 129.549 118.817 109.628 101.671 94.712 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.239 129.550 118.818 109.629 101.672 94.713 88.571 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.241 129.552 118.820 109.631 101.674 94.715 88.573 83.109 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.244 129.556 118.823 109.634 101.678 94.719 88.577 83.112 78.215 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.250 129.561 118.828 109.639 101.683 94.723 88.582 83.117 78.220 73.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.257 129.569 118.836 109.646 101.690 94.730 88.589 83.124 78.227 73.808 69.791 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.268 129.579 118.846 109.656 101.699 94.740 88.598 83.134 78.238 73.819 69.803 66.130 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.281 129.593 118.859 109.669 101.712 94.752 88.611 83.147 78.251 73.833 69.820 66.149 62.781 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.299 129.611 118.877 109.686 101.728 94.769 88.627 83.164 78.269 73.852 69.841 66.173 62.806 59.746 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.322 129.634 118.899 109.708 101.749 94.789 88.648 83.186 78.291 73.876 69.867 66.204 62.841 59.759 57.110 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.339 129.651 118.916 109.724 101.765 94.806 88.664 83.202 78.308 73.895 69.888 66.228 62.869 59.782 56.985 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.364 129.676 118.940 109.748 101.788 94.828 88.687 83.225 78.333 73.920 69.917 66.262 62.909 59.823 56.958 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.388 129.700 118.964 109.771 101.811 94.851 88.710 83.248 78.356 73.946 69.945 66.295 62.949 59.869 56.990 57.276 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.412 129.725 118.988 109.794 101.833 94.873 88.732 83.271 78.380 73.970 69.972 66.327 62.988 59.916 57.044 54.275 54.831 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.435 129.748 119.011 109.816 101.855 94.894 88.754 83.293 78.403 73.995 69.999 66.357 63.025 59.962 57.106 53.544 53.267 53.376 53.900 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.458 129.772 119.034 109.839 101.877 94.916 88.775 83.315 78.425 74.018 70.024 66.387 63.061 60.007 57.168 53.212 52.672 52.320 52.208 52.339 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.481 129.795 119.056 109.861 101.899 94.937 88.796 83.336 78.447 74.042 70.050 66.415 63.094 60.049 57.229 53.024 52.364 51.819 51.416 51.177 51.096 51.117 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.503 129.818 119.079 109.882 101.920 94.958 88.817 83.358 78.469 74.065 70.074 66.443 63.127 60.089 57.284 52.907 52.180 51.535 50.985 50.547 50.228 50.021 49.893 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.525 129.840 119.101 109.904 101.941 94.979 88.838 83.379 78.491 74.087 70.098 66.469 63.157 60.125 57.334 52.831 52.062 51.356 50.723 50.171 49.708 49.337 49.049 48.826 48.638 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.546 129.862 119.123 109.925 101.962 94.999 88.858 83.399 78.512 74.109 70.122 66.495 63.185 60.158 57.379 52.779 51.982 51.238 50.551 49.929 49.376 48.897 48.490 48.149 47.862 47.611 47.378 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.567 129.884 119.144 109.946 101.982 95.019 88.878 83.419 78.533 74.131 70.144 66.519 63.212 60.189 57.417 52.744 51.927 51.156 50.434 49.765 49.153 48.601 48.110 47.679 47.303 46.972 46.677 46.405 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.588 129.906 119.166 109.967 102.003 95.039 88.898 83.440 78.553 74.152 70.167 66.543 63.237 60.216 57.450 52.721 51.889 51.098 50.351 49.650 48.997 48.395 47.844 47.347 46.900 46.499 46.139 45.812 45.511 45.229 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.609 129.927 119.187 109.987 102.023 95.059 88.918 83.459 78.573 74.173 70.188 66.565 63.261 60.241 57.478 52.707 51.863 51.058 50.292 49.567 48.885 48.246 47.654 47.107 46.605 46.148 45.731 45.351 45.002 44.680 44.379 99999.999 99999.999 99999.999 99999.999 99999.999 142.629 129.948 119.208 110.008 102.042 95.079 88.937 83.479 78.593 74.193 70.210 66.587 63.284 60.264 57.502 52.699 51.846 51.030 50.249 49.507 48.803 48.138 47.513 46.930 46.387 45.885 45.421 44.994 44.600 44.236 43.898 43.582 43.288 99999.999 99999.999 99999.999 142.648 129.969 119.228 110.028 102.062 95.098 88.956 83.498 78.613 74.213 70.230 66.609 63.305 60.286 57.522 52.696 51.836 51.010 50.219 49.463 48.742 48.057 47.408 46.797 46.222 45.685 45.184 44.717 44.284 43.881 43.506 43.156 42.830 42.525 99999.999 99999.999 142.668 129.990 119.249 110.048 102.081 95.117 88.975 83.517 78.632 74.233 70.251 66.630 63.326 60.306 57.541 52.697 51.831 50.998 50.198 49.431 48.697 47.996 47.329 46.696 46.097 45.532 45.000 44.501 44.034 43.597 43.189 42.807 42.449 42.114 41.801 41.508 142.687 130.010 119.269 110.068 102.101 95.136 88.994 83.536 78.652 74.253 70.271 66.650 63.347 60.325 57.558 52.701 51.831 50.992 50.184 49.409 48.664 47.951 47.269 46.619 46.000 45.413 44.857 44.332 43.837 43.371 42.933 42.521 42.134 41.771 41.429 41.109 142.865 130.203 119.461 110.255 102.284 95.315 89.172 83.714 78.831 74.437 70.459 66.842 63.540 60.516 57.738 52.821 51.928 51.063 50.225 49.413 48.625 47.862 47.121 46.404 45.708 45.034 44.380 43.747 43.134 42.540 41.965 41.408 40.869 40.348 39.845 39.357 143.021 130.377 119.637 110.428 102.453 95.480 89.334 83.875 78.993 74.601 70.627 67.014 63.715 60.692 57.913 52.982 52.085 51.214 50.368 49.547 48.749 47.974 47.221 46.489 45.777 45.084 44.409 43.753 43.114 42.492 41.885 41.295 40.720 40.159 39.612 39.079 143.160 130.538 119.801 110.590 102.611 95.635 89.486 84.025 79.143 74.752 70.780 67.170 63.874 60.854 58.076 53.144 52.245 51.373 50.525 49.702 48.901 48.123 47.366 46.630 45.913 45.214 44.534 43.871 43.224 42.594 41.979 41.379 40.793 40.220 39.661 39.115 143.285 130.688 119.955 110.743 102.760 95.781 89.628 84.166 79.282 74.891 70.921 67.313 64.020 61.002 58.227 53.298 52.399 51.526 50.679 49.855 49.054 48.275 47.517 46.780 46.061 45.361 44.680 44.015 43.366 42.733 42.116 41.513 40.924 40.348 39.785 39.235 143.400 130.829 120.101 110.888 102.902 95.920 89.764 84.299 79.414 75.022 71.052 67.446 64.155 61.140 58.367 53.441 52.543 51.671 50.824 50.001 49.200 48.421 47.664 46.926 46.208 45.508 44.826 44.161 43.512 42.879 42.261 41.658 41.068 40.492 39.929 39.378 143.506 130.963 120.241 111.027 103.039 96.053 89.895 84.427 79.540 75.147 71.177 67.571 64.281 61.268 58.497 53.576 52.678 51.807 50.960 50.137 49.338 48.560 47.802 47.065 46.348 45.648 44.967 44.302 43.654 43.021 42.404 41.801 41.211 40.636 40.073 39.522 143.605 131.092 120.376 111.162 103.171 96.182 90.020 84.549 79.660 75.266 71.295 67.689 64.400 61.388 58.619 53.701 52.804 51.934 51.088 50.266 49.467 48.689 47.933 47.197 46.479 45.781 45.100 44.436 43.788 43.156 42.539 41.937 41.349 40.774 40.211 39.662 99999.999 131.216 120.506 111.292 103.299 96.307 90.142 84.668 79.777 75.381 71.408 67.802 64.513 61.502 58.734 53.819 52.923 52.053 51.208 50.387 49.588 48.811 48.056 47.320 46.603 45.905 45.225 44.562 43.915 43.284 42.668 42.066 41.478 40.904 40.343 39.794 Tb2O3(s) Tb2O3 P-T:All Wt.(g/mol) = 365.849 V(cc/mol) = 46.480 D(g/cc) = 7.871 Ref: RHF78 3 2.000 59 3.000 2 -6.000 1 53.425 47.247 41.953 37.379 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.425 47.247 41.953 37.379 33.385 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.427 47.249 41.955 37.381 33.387 29.859 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.430 47.252 41.958 37.384 33.389 29.861 26.710 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.436 47.257 41.963 37.389 33.394 29.866 26.715 23.869 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.445 47.266 41.971 37.397 33.402 29.874 26.723 23.878 21.282 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.459 47.279 41.983 37.409 33.414 29.885 26.734 23.890 21.295 18.899 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.478 47.297 42.001 37.425 33.430 29.902 26.751 23.907 21.314 18.920 16.676 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.504 47.322 42.025 37.449 33.453 29.924 26.774 23.931 21.339 18.948 16.709 14.578 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.540 47.356 42.057 37.479 33.483 29.954 26.805 23.963 21.373 18.985 16.751 14.629 12.594 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.585 47.399 42.098 37.519 33.522 29.993 26.844 24.004 21.416 19.032 16.806 14.696 12.672 10.770 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.643 47.455 42.151 37.571 33.572 30.043 26.895 24.056 21.472 19.093 16.876 14.780 12.774 10.854 9.265 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.688 47.498 42.192 37.610 33.610 30.081 26.933 24.096 21.514 19.139 16.929 14.844 12.853 10.938 9.109 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.751 47.558 42.250 37.666 33.665 30.135 26.988 24.153 21.574 19.204 17.002 14.933 12.965 11.069 9.153 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.813 47.618 42.307 37.721 33.719 30.189 27.042 24.208 21.632 19.267 17.074 15.019 13.073 11.205 9.297 16.030 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.874 47.676 42.363 37.775 33.771 30.241 27.095 24.263 21.689 19.329 17.144 15.102 13.177 11.339 9.472 10.647 12.718 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.934 47.734 42.419 37.828 33.824 30.293 27.147 24.317 21.746 19.389 17.211 15.182 13.277 11.469 9.655 9.366 9.943 11.165 13.038 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.993 47.792 42.473 37.881 33.875 30.344 27.199 24.369 21.801 19.448 17.277 15.259 13.371 11.591 9.832 8.810 8.915 9.318 10.106 11.262 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.052 47.848 42.527 37.933 33.926 30.394 27.249 24.421 21.855 19.506 17.341 15.332 13.461 11.706 9.999 8.515 8.405 8.464 8.740 9.267 10.022 10.888 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.109 47.903 42.581 37.985 33.976 30.444 27.299 24.472 21.908 19.562 17.403 15.403 13.545 11.812 10.151 8.345 8.117 7.998 8.016 8.196 8.550 9.057 9.651 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.165 47.958 42.634 38.036 34.026 30.493 27.348 24.522 21.960 19.618 17.463 15.471 13.625 11.910 10.289 8.245 7.944 7.721 7.592 7.573 7.679 7.910 8.252 8.663 9.091 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.221 48.013 42.686 38.086 34.075 30.541 27.397 24.572 22.011 19.672 17.521 15.536 13.700 12.000 10.410 8.188 7.839 7.548 7.327 7.187 7.137 7.184 7.326 7.551 7.834 8.143 8.448 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.276 48.066 42.737 38.136 34.123 30.589 27.444 24.621 22.062 19.725 17.578 15.599 13.770 12.083 10.517 8.160 7.776 7.440 7.158 6.937 6.785 6.707 6.708 6.783 6.924 7.114 7.334 7.565 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.330 48.119 42.788 38.185 34.171 30.636 27.492 24.669 22.112 19.777 17.634 15.659 13.837 12.158 10.610 8.152 7.743 7.374 7.048 6.772 6.550 6.387 6.286 6.250 6.274 6.352 6.473 6.625 6.797 6.980 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 54.383 48.171 42.838 38.233 34.218 30.682 27.538 24.716 22.160 19.829 17.688 15.717 13.900 12.227 10.690 8.157 7.730 7.336 6.979 6.663 6.391 6.167 5.994 5.874 5.808 5.792 5.822 5.891 5.992 6.116 6.258 99999.999 99999.999 99999.999 99999.999 99999.999 54.435 48.223 42.888 38.281 34.265 30.728 27.584 24.763 22.209 19.879 17.741 15.773 13.959 12.290 10.759 8.173 7.731 7.319 6.939 6.592 6.283 6.014 5.788 5.606 5.471 5.380 5.334 5.327 5.356 5.415 5.501 5.608 5.736 99999.999 99999.999 99999.999 54.487 48.274 42.937 38.329 34.311 30.774 27.629 24.809 22.256 19.928 17.793 15.828 14.016 12.349 10.820 8.197 7.744 7.317 6.918 6.549 6.213 5.910 5.643 5.415 5.226 5.076 4.967 4.896 4.860 4.857 4.884 4.937 5.015 5.116 99999.999 99999.999 54.538 48.324 42.986 38.376 34.357 30.819 27.674 24.854 22.303 19.977 17.844 15.881 14.071 12.405 10.876 8.226 7.764 7.326 6.913 6.526 6.168 5.839 5.542 5.277 5.047 4.851 4.691 4.566 4.475 4.417 4.389 4.389 4.416 4.468 4.544 4.644 54.588 48.374 43.034 38.422 34.402 30.863 27.719 24.899 22.349 20.025 17.894 15.933 14.125 12.459 10.928 8.260 7.790 7.343 6.919 6.519 6.143 5.794 5.473 5.180 4.917 4.685 4.484 4.315 4.178 4.071 3.994 3.945 3.923 3.927 3.956 4.010 55.058 48.844 43.490 38.863 34.830 31.283 28.136 25.320 22.778 20.469 18.356 16.414 14.622 12.965 11.432 8.697 8.199 7.716 7.248 6.794 6.354 5.928 5.516 5.117 4.732 4.360 4.001 3.656 3.325 3.006 2.702 2.410 2.133 1.869 1.619 1.383 55.476 49.272 43.908 39.268 35.224 31.668 28.516 25.699 23.163 20.862 18.762 16.835 15.058 13.415 11.892 9.160 8.659 8.171 7.696 7.234 6.784 6.346 5.918 5.502 5.095 4.699 4.312 3.935 3.567 3.208 2.857 2.514 2.180 1.853 1.535 1.223 55.852 49.666 44.296 39.645 35.589 32.025 28.867 26.048 23.513 21.218 19.127 17.211 15.447 13.817 12.306 9.592 9.093 8.607 8.134 7.672 7.222 6.783 6.355 5.936 5.527 5.127 4.736 4.353 3.978 3.611 3.251 2.898 2.551 2.211 1.876 1.547 56.197 50.033 44.659 39.999 35.933 32.360 29.195 26.373 23.837 21.545 19.460 17.552 15.799 14.180 12.680 9.987 9.492 9.009 8.539 8.081 7.634 7.197 6.772 6.355 5.948 5.550 5.161 4.779 4.405 4.039 3.679 3.325 2.978 2.637 2.301 1.971 56.515 50.378 45.003 40.334 36.259 32.677 29.506 26.679 24.141 21.849 19.768 17.866 16.121 14.511 13.021 10.348 9.856 9.377 8.911 8.456 8.013 7.580 7.158 6.745 6.342 5.947 5.561 5.182 4.811 4.448 4.091 3.741 3.397 3.058 2.726 2.398 56.813 50.707 45.331 40.655 36.571 32.980 29.802 26.969 24.429 22.136 20.056 18.159 16.419 14.816 13.335 10.679 10.191 9.716 9.253 8.802 8.362 7.933 7.514 7.105 6.705 6.314 5.931 5.556 5.189 4.829 4.476 4.130 3.789 3.455 3.126 2.802 57.094 51.021 45.646 40.962 36.870 33.271 30.086 27.247 24.703 22.409 20.329 18.433 16.697 15.101 13.625 10.985 10.500 10.028 9.568 9.120 8.684 8.258 7.842 7.436 7.040 6.652 6.273 5.901 5.538 5.181 4.832 4.489 4.152 3.821 3.496 3.176 99999.999 51.324 45.949 41.259 37.159 33.552 30.359 27.515 24.966 22.669 20.588 18.693 16.960 15.367 13.897 11.269 10.787 10.318 9.861 9.416 8.982 8.559 8.146 7.743 7.349 6.965 6.588 6.220 5.860 5.506 5.160 4.820 4.487 4.160 3.838 3.521 thulium Tm P-T:All Wt.(g/mol) = 168.934 V(cc/mol) = 18.126 D(g/cc) = 9.320 Ref: RHF78 5 1.000 63 1.500 2 0.375 6 -3.375 1 -0.375 4 142.644 129.841 119.016 109.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.644 129.841 119.016 109.749 101.727 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.645 129.842 119.016 109.750 101.727 94.712 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.646 129.843 119.018 109.751 101.729 94.713 88.523 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.648 129.846 119.020 109.753 101.731 94.715 88.525 83.018 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.652 129.850 119.023 109.757 101.734 94.719 88.528 83.022 78.087 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.658 129.855 119.029 109.762 101.739 94.724 88.534 83.027 78.092 73.640 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.666 129.863 119.037 109.769 101.747 94.731 88.541 83.034 78.100 73.648 69.602 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.677 129.874 119.047 109.780 101.757 94.741 88.551 83.045 78.111 73.660 69.615 65.915 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.691 129.888 119.061 109.793 101.770 94.754 88.564 83.058 78.125 73.675 69.632 65.934 62.543 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.710 129.907 119.080 109.811 101.787 94.772 88.582 83.076 78.144 73.694 69.654 65.960 62.569 59.489 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.734 129.931 119.103 109.834 101.810 94.793 88.604 83.099 78.167 73.719 69.681 65.992 62.605 59.503 56.842 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.752 129.950 119.121 109.851 101.827 94.810 88.621 83.116 78.185 73.739 69.703 66.017 62.634 59.526 56.714 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.778 129.976 119.147 109.876 101.851 94.834 88.645 83.140 78.210 73.765 69.732 66.052 62.676 59.568 56.685 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.804 130.002 119.172 109.900 101.875 94.858 88.668 83.164 78.235 73.792 69.762 66.086 62.717 59.616 56.718 57.116 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.829 130.027 119.197 109.924 101.898 94.881 88.691 83.188 78.260 73.818 69.790 66.119 62.757 59.664 56.773 54.031 54.622 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.853 130.052 119.221 109.948 101.921 94.904 88.714 83.211 78.284 73.843 69.818 66.150 62.795 59.712 56.836 53.280 53.015 53.146 53.706 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.877 130.077 119.245 109.972 101.944 94.927 88.737 83.234 78.307 73.868 69.845 66.181 62.832 59.758 56.901 52.939 52.404 52.061 51.965 52.120 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.901 130.101 119.269 109.995 101.967 94.949 88.759 83.257 78.331 73.892 69.871 66.211 62.867 59.802 56.962 52.747 52.088 51.546 51.151 50.925 50.860 50.901 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.925 130.125 119.293 110.018 101.989 94.971 88.781 83.279 78.353 73.916 69.897 66.239 62.900 59.842 57.019 52.627 51.899 51.255 50.709 50.277 49.967 49.773 49.660 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.947 130.149 119.316 110.041 102.011 94.993 88.803 83.301 78.376 73.939 69.922 66.267 62.931 59.880 57.071 52.548 51.777 51.072 50.440 49.891 49.433 49.069 48.791 48.579 48.404 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.970 130.172 119.339 110.063 102.033 95.014 88.824 83.323 78.398 73.962 69.946 66.293 62.961 59.914 57.117 52.495 51.695 50.950 50.263 49.642 49.092 48.616 48.216 47.883 47.605 47.364 47.142 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.992 130.196 119.362 110.085 102.055 95.035 88.845 83.344 78.420 73.985 69.970 66.319 62.989 59.945 57.156 52.460 51.639 50.866 50.143 49.474 48.863 48.313 47.825 47.399 47.029 46.706 46.419 46.157 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.014 130.218 119.384 110.107 102.076 95.056 88.866 83.365 78.441 74.007 69.993 66.343 63.015 59.974 57.190 52.437 51.601 50.807 50.058 49.356 48.702 48.101 47.552 47.058 46.615 46.220 45.866 45.546 45.252 44.979 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.036 130.241 119.406 110.129 102.097 95.077 88.887 83.386 78.462 74.029 70.015 66.367 63.040 60.000 57.219 52.422 51.574 50.766 49.997 49.271 48.587 47.949 47.356 46.811 46.312 45.858 45.446 45.071 44.728 44.412 44.118 99999.999 99999.999 99999.999 99999.999 99999.999 143.057 130.263 119.428 110.150 102.118 95.098 88.907 83.406 78.483 74.050 70.038 66.390 63.063 60.024 57.244 52.414 51.557 50.737 49.954 49.209 48.503 47.837 47.212 46.629 46.088 45.588 45.127 44.704 44.314 43.955 43.622 43.313 43.025 99999.999 99999.999 99999.999 143.078 130.285 119.450 110.171 102.139 95.118 88.927 83.426 78.504 74.072 70.059 66.412 63.086 60.046 57.265 52.412 51.547 50.718 49.923 49.164 48.441 47.754 47.105 46.493 45.919 45.382 44.883 44.419 43.989 43.589 43.219 42.874 42.553 42.254 99999.999 99999.999 143.098 130.307 119.472 110.192 102.159 95.138 88.947 83.446 78.524 74.092 70.081 66.434 63.107 60.067 57.284 52.413 51.542 50.705 49.902 49.131 48.395 47.692 47.023 46.389 45.790 45.225 44.694 44.197 43.732 43.298 42.893 42.514 42.161 41.831 41.523 41.236 143.119 130.328 119.493 110.213 102.180 95.158 88.967 83.466 78.544 74.113 70.102 66.455 63.129 60.087 57.302 52.417 51.542 50.699 49.888 49.108 48.361 47.645 46.962 46.310 45.690 45.103 44.547 44.023 43.529 43.065 42.629 42.220 41.836 41.477 41.140 40.824 143.306 130.531 119.695 110.410 102.372 95.346 89.153 83.652 78.732 74.305 70.298 66.656 63.330 60.285 57.489 52.541 51.644 50.774 49.931 49.114 48.323 47.555 46.811 46.090 45.391 44.714 44.058 43.422 42.807 42.211 41.634 41.076 40.536 40.014 39.510 39.022 143.471 130.715 119.880 110.592 102.550 95.520 89.324 83.822 78.902 74.477 70.474 66.835 63.513 60.469 57.671 52.709 51.806 50.930 50.079 49.254 48.452 47.672 46.915 46.179 45.463 44.766 44.089 43.429 42.787 42.162 41.554 40.961 40.383 39.820 39.271 38.736 143.617 130.884 120.052 110.762 102.715 95.682 89.483 83.979 79.059 74.634 70.633 66.997 63.678 60.637 57.841 52.877 51.973 51.095 50.243 49.414 48.609 47.827 47.065 46.325 45.604 44.902 44.218 43.552 42.902 42.268 41.651 41.047 40.459 39.884 39.322 38.774 143.750 131.042 120.215 110.922 102.872 95.835 89.633 84.126 79.205 74.780 70.780 67.146 63.830 60.792 57.998 53.037 52.132 51.254 50.402 49.573 48.768 47.984 47.222 46.480 45.758 45.054 44.369 43.700 43.049 42.413 41.792 41.186 40.594 40.016 39.451 38.898 143.871 131.190 120.368 111.075 103.022 95.980 89.775 84.266 79.343 74.917 70.918 67.285 63.971 60.934 58.143 53.186 52.282 51.405 50.552 49.724 48.919 48.136 47.374 46.632 45.910 45.206 44.520 43.852 43.200 42.563 41.942 41.336 40.743 40.164 39.598 39.045 143.982 131.331 120.515 111.221 103.165 96.120 89.911 84.399 79.474 75.047 71.047 67.415 64.102 61.068 58.278 53.325 52.422 51.545 50.694 49.866 49.061 48.279 47.517 46.776 46.054 45.351 44.666 43.998 43.346 42.710 42.090 41.484 40.892 40.313 39.747 39.194 144.087 131.466 120.656 111.362 103.303 96.255 90.043 84.528 79.600 75.172 71.171 67.539 64.226 61.193 58.405 53.456 52.553 51.677 50.826 49.999 49.195 48.413 47.653 46.912 46.191 45.488 44.804 44.136 43.485 42.850 42.230 41.625 41.033 40.456 39.891 39.338 99999.999 131.596 120.793 111.498 103.437 96.386 90.170 84.652 79.722 75.292 71.289 67.656 64.344 61.311 58.525 53.578 52.677 51.801 50.951 50.124 49.321 48.540 47.780 47.040 46.319 45.617 44.934 44.267 43.616 42.982 42.363 41.758 41.167 40.590 40.026 39.475 Tm2O3(s) Tm2O3 P-T:All Wt.(g/mol) = 385.867 V(cc/mol) = 43.420 D(g/cc) = 8.887 Ref: RHF78 3 2.000 63 3.000 2 -6.000 1 50.730 44.699 39.535 35.078 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.730 44.699 39.535 35.078 31.187 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.732 44.701 39.537 35.079 31.189 27.753 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.735 44.704 39.540 35.082 31.191 27.756 24.689 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.741 44.710 39.545 35.087 31.196 27.761 24.694 21.925 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.750 44.718 39.554 35.096 31.204 27.769 24.702 21.933 19.407 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.764 44.732 39.566 35.108 31.216 27.781 24.714 21.946 19.420 17.088 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.784 44.751 39.585 35.125 31.234 27.798 24.732 21.964 19.440 17.109 14.924 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.811 44.777 39.609 35.149 31.257 27.822 24.755 21.989 19.466 17.138 14.957 12.879 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.848 44.811 39.642 35.181 31.288 27.853 24.787 22.021 19.500 17.176 15.001 12.932 10.946 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.895 44.856 39.686 35.223 31.329 27.893 24.828 22.064 19.545 17.225 15.057 13.000 11.025 9.173 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.955 44.914 39.740 35.276 31.381 27.945 24.880 22.118 19.602 17.287 15.128 13.086 11.130 9.258 7.726 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.000 44.958 39.783 35.316 31.420 27.984 24.920 22.159 19.646 17.335 15.182 13.151 11.210 9.342 7.563 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.066 45.020 39.843 35.374 31.477 28.040 24.977 22.217 19.708 17.401 15.258 13.242 11.324 9.476 7.604 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.129 45.082 39.902 35.431 31.532 28.095 25.032 22.275 19.768 17.466 15.332 13.331 11.435 9.614 7.749 14.851 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.192 45.143 39.960 35.487 31.587 28.149 25.087 22.331 19.827 17.530 15.403 13.416 11.541 9.750 7.926 9.299 11.467 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.254 45.203 40.017 35.543 31.641 28.203 25.141 22.387 19.885 17.592 15.473 13.497 11.643 9.882 8.111 7.978 8.605 9.898 11.867 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.315 45.262 40.074 35.597 31.694 28.256 25.194 22.441 19.942 17.653 15.540 13.576 11.739 10.007 8.292 7.405 7.544 7.991 8.837 10.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.375 45.320 40.130 35.651 31.747 28.308 25.246 22.494 19.997 17.712 15.605 13.651 11.831 10.123 8.461 7.099 7.018 7.110 7.426 8.002 8.814 9.743 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.434 45.377 40.185 35.704 31.799 28.359 25.298 22.547 20.052 17.770 15.669 13.724 11.917 10.232 8.616 6.923 6.720 6.630 6.679 6.895 7.292 7.846 8.493 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.492 45.434 40.239 35.757 31.850 28.409 25.349 22.599 20.106 17.827 15.731 13.793 11.998 10.332 8.756 6.819 6.541 6.343 6.240 6.252 6.391 6.661 7.043 7.500 7.975 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.549 45.490 40.293 35.809 31.901 28.459 25.399 22.650 20.159 17.883 15.791 13.860 12.075 10.424 8.880 6.759 6.431 6.164 5.967 5.852 5.831 5.909 6.086 6.348 6.671 7.021 7.368 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.605 45.545 40.347 35.860 31.951 28.509 25.448 22.700 20.211 17.938 15.850 13.924 12.147 10.508 8.989 6.729 6.366 6.051 5.791 5.594 5.467 5.416 5.446 5.553 5.728 5.953 6.210 6.479 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.661 45.600 40.399 35.911 32.000 28.557 25.497 22.750 20.262 17.991 15.907 13.986 12.215 10.585 9.083 6.720 6.331 5.982 5.677 5.422 5.223 5.084 5.010 5.001 5.054 5.163 5.317 5.503 5.709 5.927 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.716 45.653 40.451 35.961 32.049 28.605 25.545 22.799 20.312 18.044 15.963 14.046 12.280 10.655 9.165 6.725 6.316 5.942 5.605 5.309 5.058 4.856 4.707 4.612 4.571 4.583 4.642 4.741 4.873 5.028 5.203 99999.999 99999.999 99999.999 99999.999 99999.999 51.770 45.707 40.502 36.011 32.097 28.653 25.592 22.847 20.362 18.096 16.017 14.104 12.341 10.720 9.236 6.741 6.317 5.923 5.562 5.235 4.946 4.698 4.493 4.334 4.222 4.156 4.136 4.156 4.213 4.301 4.416 4.553 4.711 99999.999 99999.999 99999.999 51.823 45.759 40.553 36.060 32.145 28.700 25.639 22.894 20.411 18.147 16.071 14.160 12.399 10.780 9.298 6.764 6.329 5.920 5.540 5.190 4.872 4.589 4.342 4.135 3.968 3.841 3.755 3.708 3.698 3.722 3.775 3.856 3.962 4.091 99999.999 99999.999 51.875 45.811 40.603 36.108 32.192 28.746 25.685 22.941 20.459 18.197 16.123 14.214 12.456 10.837 9.354 6.794 6.349 5.928 5.533 5.165 4.825 4.515 4.237 3.992 3.782 3.608 3.469 3.367 3.299 3.265 3.261 3.287 3.339 3.417 3.520 3.648 51.927 45.862 40.653 36.157 32.239 28.792 25.731 22.987 20.507 18.246 16.174 14.268 12.511 10.893 9.408 6.828 6.375 5.945 5.539 5.156 4.799 4.468 4.164 3.890 3.647 3.434 3.254 3.106 2.990 2.905 2.851 2.825 2.828 2.856 2.910 2.989 52.409 46.347 41.124 36.612 32.681 29.226 26.162 23.421 20.949 18.703 16.649 14.761 13.020 11.411 9.923 7.273 6.790 6.323 5.870 5.432 5.007 4.596 4.199 3.815 3.445 3.088 2.744 2.414 2.097 1.793 1.503 1.227 0.964 0.715 0.480 0.259 52.836 46.786 41.554 37.029 33.086 29.623 26.553 23.812 21.344 19.108 17.066 15.193 13.467 11.872 10.394 7.745 7.259 6.787 6.327 5.880 5.445 5.020 4.607 4.205 3.812 3.430 3.056 2.692 2.337 1.991 1.653 1.323 1.002 0.688 0.381 0.082 53.221 47.191 41.953 37.416 33.463 29.990 26.915 24.171 21.705 19.473 17.441 15.579 13.866 12.284 10.817 8.186 7.703 7.232 6.774 6.327 5.891 5.467 5.052 4.647 4.252 3.865 3.487 3.117 2.755 2.400 2.052 1.711 1.376 1.047 0.725 0.408 53.573 47.567 42.326 37.780 33.816 30.334 27.252 24.505 22.038 19.809 17.783 15.930 14.227 12.656 11.201 8.590 8.110 7.643 7.188 6.744 6.311 5.889 5.477 5.074 4.681 4.296 3.919 3.550 3.189 2.834 2.487 2.145 1.810 1.480 1.156 0.837 53.897 47.920 42.678 38.124 34.151 30.660 27.571 24.819 22.350 20.122 18.099 16.252 14.557 12.995 11.550 8.959 8.483 8.019 7.568 7.128 6.699 6.280 5.871 5.472 5.082 4.700 4.327 3.961 3.603 3.251 2.907 2.568 2.236 1.909 1.587 1.271 54.200 48.256 43.014 38.453 34.470 30.971 27.875 25.117 22.645 20.416 18.394 16.551 14.862 13.308 11.871 9.298 8.825 8.365 7.917 7.481 7.055 6.640 6.235 5.839 5.452 5.074 4.704 4.342 3.988 3.640 3.299 2.964 2.636 2.312 1.995 1.682 54.484 48.576 43.336 38.767 34.777 31.269 28.166 25.402 22.926 20.695 18.674 16.833 15.148 13.599 12.168 9.610 9.141 8.684 8.239 7.806 7.384 6.972 6.570 6.178 5.794 5.420 5.053 4.694 4.343 3.999 3.662 3.331 3.006 2.686 2.372 2.064 99999.999 48.885 43.645 39.071 35.072 31.556 28.446 25.676 23.196 20.962 18.939 17.099 15.416 13.871 12.446 9.901 9.434 8.980 8.538 8.108 7.688 7.279 6.880 6.491 6.110 5.739 5.375 5.020 4.672 4.331 3.996 3.669 3.347 3.031 2.720 2.415 ytterbium-lo Yb-lo P-T:All Wt.(g/mol) = 173.040 V(cc/mol) = 24.830 D(g/cc) = 6.969 Ref: RHF78 5 1.000 64 1.500 2 0.375 6 -3.375 1 -0.375 4 137.030 124.784 114.425 105.556 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.030 124.784 114.425 105.556 97.876 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.031 124.785 114.426 105.557 97.877 91.158 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.033 124.786 114.428 105.559 97.878 91.160 85.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.036 124.789 114.431 105.561 97.881 91.162 85.232 79.955 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.041 124.794 114.435 105.566 97.885 91.167 85.236 79.959 75.229 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.048 124.801 114.442 105.572 97.891 91.173 85.242 79.965 75.235 70.965 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.058 124.811 114.451 105.581 97.900 91.181 85.251 79.974 75.244 70.974 67.092 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.072 124.825 114.465 105.594 97.913 91.194 85.263 79.986 75.257 70.987 67.106 63.554 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.091 124.843 114.482 105.611 97.929 91.210 85.279 80.003 75.273 71.005 67.126 63.576 60.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.115 124.867 114.505 105.633 97.950 91.231 85.300 80.024 75.295 71.028 67.150 63.604 60.347 57.389 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.146 124.897 114.535 105.661 97.978 91.257 85.327 80.051 75.323 71.057 67.182 63.640 60.387 57.406 54.856 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.169 124.921 114.557 105.683 97.999 91.278 85.347 80.071 75.344 71.079 67.206 63.668 60.418 57.431 54.729 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.203 124.954 114.589 105.714 98.029 91.307 85.376 80.101 75.374 71.110 67.240 63.707 60.463 57.477 54.703 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.236 124.987 114.621 105.745 98.058 91.336 85.405 80.129 75.403 71.141 67.274 63.745 60.508 57.528 54.740 55.377 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.269 125.019 114.653 105.775 98.088 91.365 85.433 80.158 75.432 71.171 67.306 63.782 60.552 57.580 54.798 52.265 52.905 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.301 125.052 114.684 105.805 98.117 91.393 85.462 80.186 75.461 71.201 67.338 63.818 60.595 57.632 54.865 51.511 51.285 51.458 52.063 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.333 125.083 114.714 105.834 98.145 91.421 85.489 80.214 75.489 71.230 67.369 63.852 60.635 57.682 54.933 51.170 50.671 50.366 50.309 50.503 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.364 125.115 114.745 105.864 98.174 91.449 85.517 80.241 75.517 71.259 67.400 63.886 60.674 57.729 54.999 50.979 50.356 49.850 49.490 49.299 49.270 49.347 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.395 125.146 114.775 105.893 98.202 91.476 85.544 80.268 75.544 71.287 67.430 63.918 60.711 57.773 55.060 50.861 50.168 49.558 49.046 48.648 48.372 48.210 48.130 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.426 125.177 114.805 105.922 98.230 91.504 85.570 80.295 75.571 71.315 67.459 63.950 60.747 57.815 55.115 50.784 50.049 49.377 48.778 48.261 47.835 47.502 47.256 47.074 46.929 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.456 125.207 114.834 105.950 98.257 91.530 85.597 80.321 75.598 71.342 67.487 63.980 60.780 57.853 55.164 50.734 49.969 49.257 48.603 48.013 47.494 47.049 46.677 46.374 46.124 45.911 45.717 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.486 125.237 114.864 105.978 98.284 91.557 85.623 80.347 75.624 71.369 67.515 64.010 60.811 57.888 55.207 50.701 49.915 49.175 48.484 47.846 47.265 46.745 46.286 45.888 45.546 45.250 44.989 44.751 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.515 125.267 114.893 106.006 98.311 91.583 85.649 80.373 75.650 71.395 67.542 64.038 60.841 57.920 55.245 50.681 49.879 49.118 48.401 47.730 47.106 46.534 46.013 45.546 45.130 44.761 44.432 44.137 43.867 43.616 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.544 125.297 114.921 106.034 98.338 91.609 85.674 80.399 75.676 71.422 67.569 64.066 60.870 57.949 55.277 50.669 49.856 49.080 48.343 47.647 46.993 46.383 45.818 45.300 44.827 44.398 44.011 43.660 43.340 43.046 42.774 99999.999 99999.999 99999.999 99999.999 99999.999 137.573 125.326 114.950 106.062 98.365 91.635 85.700 80.424 75.701 71.447 67.595 64.093 60.897 57.977 55.305 50.665 49.841 49.054 48.302 47.587 46.911 46.273 45.675 45.119 44.603 44.128 43.691 43.291 42.924 42.587 42.275 41.986 41.718 99999.999 99999.999 99999.999 137.602 125.355 114.978 106.089 98.391 91.661 85.725 80.449 75.726 71.473 67.621 64.119 60.924 58.003 55.330 50.665 49.834 49.037 48.274 47.545 46.851 46.192 45.570 44.984 44.435 43.923 43.447 43.006 42.598 42.220 41.870 41.545 41.243 40.962 99999.999 99999.999 137.630 125.384 115.006 106.116 98.417 91.686 85.750 80.474 75.751 71.498 67.647 64.145 60.949 58.027 55.352 50.669 49.832 49.027 48.255 47.515 46.807 46.132 45.490 44.882 44.308 43.767 43.260 42.785 42.342 41.928 41.543 41.184 40.849 40.536 40.245 39.974 137.658 125.412 115.034 106.143 98.443 91.711 85.775 80.498 75.776 71.523 67.672 64.170 60.974 58.051 55.374 50.676 49.834 49.024 48.244 47.494 46.776 46.088 45.431 44.805 44.210 43.646 43.114 42.612 42.139 41.695 41.279 40.889 40.524 40.181 39.861 39.561 137.920 125.684 115.300 106.400 98.692 91.953 86.011 80.732 76.009 71.757 67.909 64.409 61.213 58.285 55.595 50.832 49.967 49.129 48.316 47.529 46.765 46.024 45.306 44.610 43.935 43.280 42.646 42.031 41.435 40.858 40.299 39.758 39.235 38.728 38.238 37.764 138.160 125.938 115.550 106.642 98.925 92.179 86.231 80.948 76.223 71.972 68.125 64.627 61.432 58.504 55.812 51.031 50.161 49.315 48.495 47.698 46.923 46.170 45.438 44.726 44.033 43.359 42.703 42.063 41.441 40.834 40.242 39.666 39.104 38.555 38.021 37.499 138.381 126.176 115.786 106.871 99.147 92.393 86.439 81.151 76.424 72.171 68.324 64.828 61.635 58.708 56.015 51.231 50.358 49.511 48.688 47.888 47.110 46.353 45.617 44.900 44.202 43.521 42.858 42.212 41.581 40.965 40.364 39.778 39.204 38.644 38.095 37.559 138.587 126.402 116.012 107.090 99.359 92.598 86.638 81.345 76.614 72.359 68.511 65.015 61.823 58.897 56.206 51.422 50.549 49.701 48.877 48.076 47.297 46.539 45.802 45.083 44.383 43.701 43.036 42.387 41.754 41.135 40.532 39.941 39.364 38.800 38.248 37.707 138.781 126.618 116.228 107.302 99.563 92.795 86.829 81.530 76.795 72.537 68.688 65.191 62.000 59.075 56.384 51.602 50.729 49.881 49.057 48.257 47.478 46.720 45.982 45.263 44.563 43.880 43.214 42.565 41.931 41.312 40.707 40.116 39.539 38.973 38.420 37.879 138.967 126.827 116.438 107.506 99.761 92.986 87.013 81.710 76.970 72.709 68.857 65.359 62.167 59.243 56.553 51.772 50.899 50.052 49.228 48.428 47.649 46.891 46.153 45.435 44.735 44.052 43.387 42.737 42.104 41.485 40.880 40.289 39.712 39.146 38.593 38.052 139.144 127.029 116.642 107.706 99.954 93.172 87.193 81.884 77.139 72.874 69.020 65.520 62.327 59.403 56.713 51.933 51.061 50.214 49.391 48.590 47.812 47.054 46.317 45.599 44.899 44.217 43.551 42.902 42.269 41.650 41.046 40.456 39.878 39.314 38.761 38.220 99999.999 127.227 116.841 107.900 100.142 93.354 87.369 82.054 77.304 73.035 69.178 65.675 62.481 59.555 56.866 52.087 51.215 50.368 49.545 48.744 47.966 47.209 46.472 45.754 45.054 44.373 43.708 43.059 42.426 41.808 41.204 40.614 40.037 39.473 38.921 38.381 ytterbium-hi Yb-hi P-T:All Wt.(g/mol) = 173.040 V(cc/mol) = 24.830 D(g/cc) = 6.969 Ref: RHF78 5 1.000 64 1.500 2 0.375 6 -3.375 1 -0.375 4 137.029 124.784 114.425 105.555 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.029 124.784 114.425 105.555 97.874 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.030 124.785 114.426 105.556 97.874 91.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.032 124.786 114.427 105.557 97.876 91.157 85.226 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.035 124.789 114.430 105.560 97.879 91.159 85.228 79.950 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.039 124.794 114.435 105.564 97.883 91.163 85.232 79.954 75.223 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.047 124.801 114.441 105.571 97.889 91.170 85.238 79.960 75.229 70.958 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.057 124.811 114.451 105.580 97.898 91.178 85.247 79.969 75.238 70.967 67.084 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.071 124.825 114.464 105.593 97.910 91.191 85.259 79.982 75.251 70.981 67.099 63.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.089 124.843 114.482 105.610 97.927 91.207 85.275 79.998 75.267 70.998 67.118 63.567 60.310 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.114 124.867 114.505 105.632 97.948 91.228 85.296 80.019 75.289 71.021 67.143 63.596 60.338 57.380 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.144 124.897 114.534 105.660 97.976 91.254 85.323 80.046 75.317 71.050 67.174 63.632 60.378 57.397 54.849 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.168 124.921 114.557 105.682 97.997 91.275 85.343 80.066 75.338 71.072 67.199 63.659 60.409 57.423 54.722 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.202 124.954 114.589 105.713 98.027 91.304 85.372 80.096 75.368 71.103 67.233 63.698 60.455 57.469 54.696 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.235 124.987 114.621 105.743 98.056 91.333 85.401 80.125 75.397 71.134 67.266 63.736 60.500 57.520 54.732 55.375 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.268 125.019 114.652 105.774 98.086 91.362 85.430 80.153 75.426 71.164 67.299 63.773 60.544 57.572 54.791 52.263 52.904 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.300 125.052 114.683 105.803 98.114 91.390 85.458 80.181 75.455 71.194 67.330 63.809 60.586 57.624 54.858 51.509 51.285 51.460 52.067 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.332 125.083 114.714 105.833 98.143 91.418 85.485 80.209 75.483 71.223 67.362 63.844 60.627 57.673 54.926 51.168 50.671 50.367 50.312 50.508 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.363 125.115 114.744 105.862 98.172 91.446 85.513 80.236 75.511 71.252 67.392 63.878 60.666 57.721 54.992 50.977 50.355 49.851 49.493 49.304 49.278 49.358 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.394 125.146 114.774 105.891 98.200 91.473 85.540 80.263 75.538 71.280 67.422 63.910 60.703 57.765 55.052 50.859 50.168 49.560 49.050 48.653 48.380 48.221 48.144 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.425 125.177 114.804 105.920 98.227 91.501 85.566 80.290 75.565 71.308 67.451 63.941 60.738 57.806 55.108 50.782 50.048 49.378 48.781 48.266 47.843 47.513 47.269 47.091 46.950 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.455 125.207 114.834 105.949 98.255 91.527 85.593 80.317 75.592 71.335 67.479 63.972 60.771 57.844 55.157 50.732 49.968 49.258 48.606 48.019 47.502 47.059 46.691 46.391 46.145 45.936 45.745 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.485 125.237 114.863 105.977 98.282 91.554 85.619 80.343 75.618 71.362 67.507 64.001 60.803 57.879 55.200 50.699 49.915 49.176 48.487 47.852 47.273 46.755 46.300 45.905 45.566 45.274 45.017 44.784 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.514 125.267 114.892 106.005 98.309 91.580 85.645 80.368 75.644 71.389 67.535 64.030 60.833 57.911 55.237 50.679 49.878 49.120 48.404 47.735 47.114 46.544 46.027 45.563 45.150 44.785 44.460 44.169 43.904 43.658 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.543 125.297 114.921 106.033 98.336 91.606 85.671 80.394 75.670 71.415 67.561 64.057 60.861 57.941 55.270 50.667 49.855 49.081 48.346 47.652 47.001 46.394 45.832 45.317 44.847 44.423 44.039 43.692 43.377 43.088 42.821 99999.999 99999.999 99999.999 99999.999 99999.999 137.572 125.326 114.949 106.060 98.363 91.632 85.696 80.419 75.695 71.441 67.588 64.084 60.889 57.969 55.298 50.662 49.841 49.055 48.305 47.593 46.919 46.284 45.689 45.136 44.624 44.152 43.720 43.324 42.962 42.629 42.323 42.039 41.777 99999.999 99999.999 99999.999 137.600 125.355 114.978 106.087 98.389 91.658 85.721 80.444 75.721 71.466 67.614 64.110 60.915 57.994 55.323 50.663 49.833 49.038 48.277 47.550 46.859 46.203 45.583 45.001 44.456 43.947 43.476 43.039 42.635 42.262 41.917 41.598 41.302 41.027 99999.999 99999.999 137.629 125.384 115.006 106.114 98.415 91.683 85.746 80.469 75.745 71.491 67.639 64.136 60.940 58.019 55.345 50.667 49.832 49.029 48.258 47.520 46.815 46.143 45.504 44.899 44.328 43.791 43.288 42.817 42.379 41.970 41.590 41.237 40.908 40.602 40.317 40.053 137.656 125.412 115.033 106.141 98.441 91.708 85.771 80.493 75.770 71.516 67.664 64.161 60.966 58.043 55.367 50.674 49.834 49.025 48.247 47.500 46.784 46.099 45.445 44.822 44.231 43.671 43.142 42.644 42.176 41.738 41.327 40.942 40.583 40.247 39.933 39.640 137.919 125.684 115.300 106.399 98.690 91.950 86.007 80.727 76.003 71.751 67.901 64.401 61.205 58.277 55.588 50.830 49.967 49.130 48.320 47.534 46.773 46.035 45.320 44.627 43.955 43.304 42.674 42.064 41.473 40.900 40.347 39.812 39.294 38.794 38.310 37.843 138.158 125.938 115.549 106.641 98.923 92.176 86.227 80.943 76.217 71.965 68.117 64.618 61.424 58.496 55.804 51.029 50.160 49.317 48.498 47.703 46.931 46.181 45.452 44.743 44.054 43.383 42.731 42.096 41.478 40.876 40.290 39.719 39.163 38.621 38.092 37.577 138.379 126.176 115.786 106.870 99.145 92.390 86.435 81.146 76.418 72.164 68.317 64.819 61.626 58.699 56.008 51.229 50.358 49.512 48.691 47.893 47.118 46.364 45.630 44.917 44.222 43.546 42.887 42.244 41.618 41.008 40.412 39.831 39.263 38.709 38.167 37.638 138.586 126.402 116.011 107.089 99.357 92.595 86.634 81.340 76.608 72.352 68.504 65.006 61.814 58.889 56.199 51.419 50.548 49.702 48.880 48.082 47.305 46.550 45.815 45.100 44.404 43.725 43.064 42.420 41.791 41.178 40.579 39.994 39.423 38.865 38.320 37.786 138.780 126.618 116.228 107.300 99.561 92.792 86.825 81.526 76.789 72.530 68.681 65.183 61.991 59.067 56.377 51.600 50.728 49.882 49.061 48.262 47.485 46.730 45.995 45.280 44.583 43.904 43.243 42.598 41.968 41.354 40.755 40.169 39.598 39.039 38.492 37.958 138.965 126.827 116.438 107.505 99.759 92.983 87.009 81.705 76.964 72.702 68.850 65.351 62.159 59.235 56.546 51.770 50.899 50.053 49.232 48.433 47.657 46.902 46.167 45.452 44.755 44.077 43.415 42.770 42.141 41.527 40.928 40.342 39.771 39.212 38.665 38.131 139.143 127.029 116.641 107.704 99.952 93.169 87.189 81.879 77.133 72.868 69.012 65.512 62.319 59.394 56.706 51.931 51.060 50.215 49.394 48.596 47.820 47.065 46.330 45.615 44.919 44.241 43.580 42.935 42.306 41.693 41.094 40.509 39.937 39.379 38.833 38.299 99999.999 127.227 116.841 107.899 100.140 93.351 87.365 82.049 77.298 73.028 69.170 65.667 62.472 59.547 56.858 52.084 51.214 50.369 49.548 48.750 47.974 47.220 46.486 45.771 45.075 44.397 43.736 43.092 42.463 41.850 41.251 40.667 40.096 39.538 38.993 38.459 Yb2O3(s) Yb2O3 P-T:All Wt.(g/mol) = 394.078 V(cc/mol) = 42.760 D(g/cc) = 9.216 Ref: RHF78 3 2.000 64 3.000 2 -6.000 1 52.532 46.427 41.194 36.673 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.532 46.427 41.194 36.673 32.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.534 46.429 41.196 36.675 32.726 29.237 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.537 46.432 41.199 36.678 32.729 29.240 26.122 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.543 46.438 41.205 36.684 32.734 29.245 26.127 23.311 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.553 46.447 41.213 36.692 32.742 29.253 26.136 23.320 20.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.567 46.461 41.227 36.705 32.755 29.266 26.148 23.333 20.763 18.389 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.588 46.480 41.245 36.723 32.772 29.283 26.166 23.351 20.782 18.410 16.185 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.616 46.507 41.271 36.747 32.797 29.307 26.190 23.376 20.809 18.440 16.219 14.104 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.653 46.543 41.305 36.780 32.829 29.339 26.223 23.410 20.845 18.478 16.264 14.157 12.136 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.701 46.589 41.349 36.823 32.870 29.381 26.265 23.453 20.891 18.528 16.321 14.226 12.216 10.331 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.763 46.648 41.406 36.878 32.924 29.433 26.318 23.509 20.949 18.592 16.393 14.313 12.321 10.416 8.857 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.810 46.694 41.449 36.919 32.965 29.474 26.360 23.551 20.994 18.640 16.449 14.380 12.403 10.501 8.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.877 46.758 41.511 36.979 33.023 29.532 26.418 23.611 21.057 18.708 16.526 14.472 12.518 10.636 8.732 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.943 46.822 41.572 37.038 33.080 29.588 26.475 23.670 21.118 18.775 16.601 14.562 12.630 10.775 8.878 16.018 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.008 46.884 41.632 37.096 33.137 29.644 26.531 23.728 21.179 18.840 16.674 14.648 12.738 10.913 9.057 10.408 12.594 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.072 46.946 41.691 37.153 33.192 29.699 26.587 23.785 21.238 18.903 16.744 14.731 12.841 11.046 9.243 9.075 9.702 11.002 12.989 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.134 47.007 41.750 37.209 33.247 29.754 26.641 23.840 21.296 18.965 16.813 14.811 12.939 11.173 9.425 8.496 8.631 9.077 9.926 11.161 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.196 47.067 41.808 37.265 33.301 29.807 26.695 23.895 21.354 19.026 16.880 14.888 13.032 11.291 9.596 8.188 8.100 8.187 8.501 9.077 9.893 10.828 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.257 47.126 41.864 37.320 33.355 29.860 26.748 23.949 21.410 19.086 16.945 14.962 13.119 11.401 9.753 8.010 7.799 7.702 7.746 7.959 8.354 8.910 9.560 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.317 47.185 41.921 37.374 33.408 29.912 26.800 24.003 21.465 19.144 17.008 15.033 13.202 11.502 9.894 7.905 7.618 7.412 7.303 7.309 7.444 7.711 8.093 8.550 9.027 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.376 47.242 41.976 37.428 33.460 29.963 26.852 24.055 21.519 19.201 17.069 15.101 13.280 11.595 10.019 7.845 7.508 7.231 7.027 6.905 6.878 6.952 7.125 7.385 7.707 8.057 8.404 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.434 47.299 42.031 37.481 33.511 30.014 26.902 24.107 21.572 19.257 17.129 15.166 13.353 11.680 10.129 7.815 7.442 7.118 6.849 6.644 6.510 6.454 6.479 6.582 6.753 6.977 7.232 7.500 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.491 47.356 42.085 37.533 33.562 30.064 26.952 24.158 21.625 19.312 17.188 15.229 13.423 11.758 10.225 7.806 7.407 7.048 6.734 6.471 6.264 6.118 6.038 6.023 6.072 6.177 6.328 6.512 6.716 6.932 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.548 47.411 42.139 37.585 33.613 30.114 27.002 24.208 21.677 19.366 17.245 15.290 13.488 11.830 10.308 7.811 7.392 7.008 6.661 6.357 6.097 5.888 5.731 5.630 5.584 5.591 5.646 5.741 5.869 6.022 6.195 99999.999 99999.999 99999.999 99999.999 99999.999 53.603 47.466 42.192 37.636 33.662 30.163 27.051 24.257 21.727 19.419 17.300 15.349 13.550 11.896 10.380 7.827 7.393 6.989 6.618 6.282 5.985 5.728 5.516 5.350 5.231 5.160 5.133 5.149 5.202 5.286 5.398 5.532 5.688 99999.999 99999.999 99999.999 53.658 47.521 42.245 37.687 33.712 30.211 27.099 24.306 21.778 19.471 17.355 15.406 13.610 11.957 10.443 7.851 7.405 6.986 6.596 6.237 5.910 5.618 5.364 5.148 4.974 4.841 4.749 4.697 4.681 4.700 4.750 4.827 4.929 5.056 99999.999 99999.999 53.712 47.574 42.296 37.737 33.760 30.259 27.147 24.354 21.827 19.522 17.408 15.462 13.667 12.015 10.500 7.881 7.426 6.995 6.590 6.212 5.863 5.544 5.257 5.004 4.786 4.605 4.460 4.351 4.278 4.238 4.230 4.251 4.299 4.374 4.473 4.598 53.766 47.627 42.348 37.786 33.809 30.306 27.194 24.402 21.876 19.573 17.461 15.516 13.724 12.072 10.555 7.916 7.453 7.012 6.595 6.203 5.836 5.496 5.184 4.901 4.650 4.430 4.242 4.088 3.965 3.875 3.815 3.784 3.781 3.806 3.855 3.930 54.264 48.128 42.834 38.256 34.265 30.754 27.638 24.848 22.330 20.041 17.947 16.021 14.243 12.600 11.080 8.369 7.875 7.397 6.933 6.484 6.049 5.628 5.221 4.827 4.447 4.081 3.728 3.388 3.063 2.751 2.452 2.168 1.897 1.641 1.398 1.169 54.706 48.582 43.279 38.687 34.684 31.163 28.041 25.250 22.737 20.457 18.375 16.463 14.701 13.071 11.560 8.850 8.353 7.869 7.398 6.940 6.494 6.059 5.635 5.223 4.820 4.428 4.045 3.672 3.307 2.952 2.605 2.266 1.936 1.613 1.299 0.991 55.105 49.001 43.691 39.088 35.073 31.542 28.414 25.620 23.108 20.833 18.759 16.859 15.109 13.492 11.992 9.299 8.804 8.322 7.852 7.394 6.948 6.512 6.087 5.672 5.267 4.870 4.482 4.102 3.730 3.366 3.009 2.659 2.315 1.978 1.646 1.321 55.470 49.391 44.077 39.464 35.438 31.898 28.762 25.965 23.451 21.178 19.110 17.218 15.479 13.872 12.384 9.711 9.219 8.740 8.274 7.819 7.375 6.942 6.520 6.107 5.703 5.308 4.921 4.542 4.171 3.807 3.450 3.100 2.755 2.417 2.083 1.755 55.807 49.757 44.443 39.821 35.784 32.235 29.092 26.289 23.773 21.500 19.435 17.549 15.817 14.220 12.741 10.087 9.599 9.124 8.661 8.210 7.770 7.340 6.921 6.511 6.111 5.719 5.336 4.960 4.592 4.231 3.877 3.529 3.187 2.852 2.521 2.196 56.122 50.105 44.790 40.160 36.115 32.556 29.405 26.597 24.077 21.803 19.740 17.857 16.131 14.540 13.070 10.433 9.949 9.477 9.018 8.570 8.133 7.707 7.291 6.885 6.488 6.100 5.720 5.348 4.983 4.626 4.276 3.932 3.594 3.261 2.935 2.613 56.418 50.438 45.124 40.487 36.432 32.865 29.706 26.891 24.367 22.091 20.027 18.146 16.424 14.839 13.375 10.753 10.272 9.803 9.347 8.902 8.469 8.046 7.633 7.230 6.836 6.452 6.075 5.706 5.345 4.991 4.644 4.304 3.970 3.641 3.318 3.001 99999.999 50.758 45.445 40.801 36.738 33.162 29.995 27.174 24.645 22.366 20.301 18.420 16.700 15.119 13.660 11.050 10.572 10.106 9.652 9.210 8.780 8.360 7.950 7.550 7.159 6.777 6.403 6.038 5.680 5.329 4.985 4.648 4.317 3.992 3.672 3.358 yttrium Y P-T:All Wt.(g/mol) = 88.906 V(cc/mol) = 15.038 D(g/cc) = 5.912 Ref: RHF78 5 1.000 50 1.500 2 0.375 6 -3.375 1 -0.375 4 145.682 132.700 121.754 112.406 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.682 132.700 121.754 112.406 104.329 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.683 132.701 121.755 112.407 104.330 97.280 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.683 132.701 121.756 112.407 104.331 97.281 91.071 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.685 132.703 121.757 112.409 104.332 97.282 91.073 85.558 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.687 132.705 121.759 112.411 104.334 97.285 91.075 85.560 80.627 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.690 132.709 121.763 112.414 104.338 97.288 91.079 85.564 80.631 76.186 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.695 132.714 121.768 112.419 104.343 97.293 91.084 85.570 80.637 76.193 72.160 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.702 132.720 121.774 112.426 104.349 97.300 91.091 85.577 80.645 76.202 72.171 68.489 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.711 132.729 121.783 112.435 104.358 97.309 91.100 85.587 80.656 76.214 72.185 68.505 65.136 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.722 132.741 121.795 112.446 104.369 97.320 91.112 85.600 80.669 76.229 72.202 68.527 65.159 62.107 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.736 132.756 121.809 112.461 104.384 97.335 91.127 85.616 80.687 76.248 72.225 68.554 65.190 62.115 59.494 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.747 132.767 121.821 112.472 104.395 97.346 91.139 85.628 80.700 76.263 72.242 68.575 65.215 62.134 59.355 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.762 132.783 121.836 112.487 104.411 97.362 91.156 85.646 80.719 76.284 72.266 68.605 65.252 62.171 59.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.777 132.799 121.852 112.503 104.426 97.378 91.172 85.663 80.737 76.304 72.290 68.634 65.288 62.214 59.345 60.058 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.792 132.814 121.867 112.518 104.441 97.393 91.188 85.680 80.755 76.324 72.312 68.661 65.323 62.258 59.396 56.819 57.496 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.806 132.829 121.882 112.533 104.456 97.408 91.203 85.696 80.773 76.343 72.334 68.688 65.357 62.301 59.455 56.028 55.807 56.000 56.646 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.819 132.843 121.897 112.548 104.471 97.423 91.219 85.712 80.790 76.362 72.356 68.713 65.389 62.343 59.516 55.665 55.162 54.858 54.814 55.032 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.833 132.858 121.912 112.562 104.485 97.438 91.234 85.728 80.807 76.380 72.376 68.738 65.419 62.382 59.574 55.459 54.826 54.315 53.956 53.773 53.760 53.859 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.846 132.872 121.926 112.576 104.499 97.452 91.248 85.743 80.823 76.398 72.396 68.761 65.447 62.418 59.627 55.328 54.623 54.004 53.487 53.089 52.819 52.668 52.604 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.859 132.886 121.940 112.590 104.513 97.466 91.263 85.758 80.839 76.415 72.415 68.783 65.474 62.451 59.675 55.240 54.490 53.807 53.200 52.679 52.253 51.925 51.687 51.517 51.387 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.871 132.899 121.954 112.604 104.527 97.480 91.277 85.773 80.855 76.432 72.434 68.804 65.498 62.481 59.716 55.179 54.399 53.674 53.011 52.414 51.891 51.446 51.078 50.781 50.541 50.341 50.160 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.883 132.913 121.967 112.617 104.540 97.494 91.291 85.788 80.870 76.449 72.452 68.824 65.521 62.508 59.752 55.137 54.335 53.581 52.879 52.233 51.646 51.123 50.664 50.269 49.932 49.644 49.394 49.169 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.895 132.926 121.980 112.631 104.554 97.507 91.305 85.802 80.886 76.465 72.470 68.844 65.542 62.532 59.781 55.107 54.289 53.515 52.785 52.104 51.473 50.896 50.373 49.906 49.492 49.128 48.807 48.521 48.263 48.025 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.906 132.939 121.993 112.644 104.567 97.520 91.318 85.816 80.901 76.481 72.487 68.862 65.562 62.553 59.806 55.087 54.256 53.466 52.717 52.010 51.348 50.731 50.163 49.642 49.170 48.744 48.362 48.017 47.706 47.423 47.163 99999.999 99999.999 99999.999 99999.999 99999.999 145.917 132.951 122.006 112.657 104.580 97.533 91.332 85.830 80.915 76.497 72.504 68.880 65.581 62.572 59.826 55.073 54.233 53.431 52.666 51.940 51.255 50.610 50.007 49.447 48.930 48.456 48.022 47.627 47.267 46.938 46.636 46.359 46.103 99999.999 99999.999 99999.999 145.928 132.964 122.019 112.669 104.592 97.546 91.345 85.844 80.930 76.512 72.520 68.897 65.598 62.589 59.842 55.065 54.218 53.405 52.629 51.888 51.184 50.518 49.889 49.299 48.748 48.236 47.762 47.324 46.920 46.549 46.207 45.892 45.601 45.333 99999.999 99999.999 145.939 132.976 122.032 112.682 104.605 97.559 91.358 85.857 80.944 76.527 72.536 68.913 65.615 62.605 59.856 55.061 54.207 53.387 52.601 51.849 51.131 50.448 49.800 49.186 48.609 48.066 47.559 47.086 46.647 46.239 45.860 45.509 45.184 44.883 44.604 44.347 145.949 132.988 122.044 112.694 104.617 97.571 91.370 85.870 80.958 76.542 72.551 68.929 65.631 62.621 59.870 55.060 54.201 53.375 52.582 51.820 51.091 50.394 49.730 49.099 48.500 47.934 47.401 46.899 46.429 45.990 45.579 45.196 44.839 44.507 44.197 43.910 146.040 133.097 122.158 112.809 104.733 97.687 91.488 85.992 81.085 76.676 72.693 69.078 65.784 62.772 60.011 55.140 54.258 53.405 52.578 51.778 51.003 50.253 49.526 48.822 48.141 47.482 46.843 46.226 45.629 45.051 44.493 43.954 43.433 42.930 42.445 41.977 146.111 133.191 122.259 112.912 104.835 97.791 91.593 86.099 81.196 76.793 72.816 69.207 65.919 62.910 60.150 55.267 54.380 53.521 52.687 51.878 51.093 50.330 49.590 48.871 48.172 47.493 46.833 46.191 45.566 44.959 44.368 43.792 43.232 42.687 42.156 41.639 146.166 133.273 122.348 113.004 104.929 97.884 91.687 86.195 81.295 76.896 72.924 69.321 66.038 63.034 60.278 55.396 54.509 53.648 52.812 52.001 51.214 50.448 49.704 48.981 48.278 47.593 46.927 46.278 45.646 45.030 44.430 43.844 43.273 42.716 42.172 41.640 146.210 133.345 122.430 113.088 105.014 97.970 91.774 86.283 81.385 76.988 73.020 69.422 66.144 63.145 60.393 55.517 54.631 53.770 52.935 52.124 51.336 50.571 49.827 49.103 48.398 47.713 47.045 46.394 45.760 45.142 44.540 43.951 43.377 42.817 42.269 41.734 146.243 133.409 122.504 113.167 105.093 98.050 91.854 86.364 81.467 77.073 73.108 69.513 66.239 63.245 60.497 55.629 54.743 53.884 53.050 52.240 51.453 50.688 49.945 49.221 48.517 47.832 47.165 46.514 45.881 45.262 44.660 44.071 43.497 42.936 42.388 41.852 146.269 133.468 122.573 113.239 105.168 98.125 91.930 86.440 81.544 77.151 73.189 69.597 66.326 63.336 60.592 55.731 54.847 53.989 53.156 52.347 51.561 50.798 50.055 49.333 48.630 47.946 47.279 46.630 45.997 45.380 44.777 44.190 43.616 43.056 42.509 41.974 146.289 133.521 122.637 113.308 105.238 98.196 92.001 86.511 81.616 77.224 73.263 69.674 66.406 63.419 60.678 55.825 54.942 54.085 53.254 52.446 51.661 50.899 50.158 49.436 48.735 48.051 47.386 46.738 46.106 45.490 44.889 44.302 43.730 43.171 42.625 42.091 99999.999 133.570 122.698 113.373 105.305 98.263 92.069 86.579 81.684 77.293 73.334 69.746 66.480 63.496 60.758 55.911 55.029 54.174 53.343 52.537 51.754 50.992 50.252 49.532 48.831 48.149 47.485 46.838 46.207 45.592 44.993 44.407 43.836 43.278 42.733 42.201 Y2O3(s) Y2O3 P-T:All Wt.(g/mol) = 225.810 V(cc/mol) = 44.880 D(g/cc) = 5.031 Ref: RHF78 3 2.000 50 3.000 2 -6.000 1 52.658 46.534 41.357 36.934 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.658 46.534 41.357 36.934 33.107 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.660 46.535 41.358 36.935 33.109 29.759 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.662 46.538 41.361 36.937 33.111 29.761 26.792 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.667 46.542 41.365 36.941 33.115 29.765 26.796 24.135 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.674 46.549 41.371 36.948 33.121 29.771 26.803 24.142 21.730 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.685 46.559 41.381 36.957 33.131 29.781 26.813 24.153 21.742 19.528 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.701 46.574 41.396 36.971 33.145 29.795 26.827 24.168 21.758 19.547 17.482 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.722 46.595 41.415 36.990 33.163 29.814 26.847 24.189 21.781 19.572 17.512 15.556 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.751 46.622 41.441 37.015 33.188 29.839 26.873 24.216 21.811 19.605 17.552 15.605 13.743 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.788 46.657 41.475 37.048 33.221 29.872 26.907 24.252 21.850 19.649 17.603 15.668 13.817 12.094 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.835 46.702 41.518 37.090 33.262 29.913 26.950 24.297 21.898 19.703 17.667 15.748 13.915 12.170 10.787 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.871 46.736 41.551 37.122 33.293 29.945 26.982 24.332 21.936 19.745 17.715 15.808 13.991 12.249 10.604 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.922 46.785 41.597 37.167 33.338 29.990 27.029 24.381 21.988 19.803 17.783 15.892 14.099 12.377 10.632 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.972 46.833 41.643 37.212 33.382 30.034 27.074 24.429 22.040 19.860 17.849 15.973 14.203 12.509 10.769 18.623 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.021 46.880 41.689 37.256 33.426 30.078 27.119 24.476 22.090 19.915 17.913 16.051 14.304 12.640 10.941 12.766 15.128 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.069 46.926 41.733 37.299 33.468 30.121 27.163 24.522 22.139 19.969 17.975 16.126 14.399 12.766 11.121 11.368 12.105 13.545 15.706 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.117 46.972 41.777 37.342 33.510 30.163 27.206 24.567 22.187 20.022 18.035 16.198 14.489 12.885 11.297 10.755 10.980 11.528 12.496 13.871 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.163 47.017 41.821 37.384 33.552 30.204 27.249 24.611 22.234 20.073 18.093 16.266 14.574 12.997 11.463 10.424 10.416 10.591 11.001 11.685 12.621 13.686 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.209 47.061 41.863 37.425 33.593 30.245 27.290 24.654 22.280 20.123 18.149 16.332 14.654 13.099 11.613 10.228 10.093 10.075 10.204 10.509 11.003 11.666 12.430 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.254 47.105 41.905 37.466 33.633 30.286 27.331 24.697 22.326 20.172 18.203 16.395 14.730 13.194 11.749 10.109 9.895 9.764 9.733 9.821 10.044 10.405 10.885 11.446 12.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.298 47.148 41.947 37.507 33.672 30.325 27.372 24.739 22.370 20.220 18.256 16.454 14.800 13.280 11.868 10.037 9.770 9.566 9.435 9.391 9.444 9.602 9.864 10.217 10.634 11.082 11.529 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.341 47.190 41.988 37.546 33.712 30.364 27.412 24.780 22.414 20.267 18.307 16.512 14.865 13.358 11.971 9.996 9.692 9.438 9.241 9.109 9.051 9.073 9.180 9.367 9.626 9.940 10.288 10.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.384 47.232 42.028 37.586 33.750 30.403 27.451 24.821 22.456 20.313 18.357 16.567 14.927 13.429 12.060 9.976 9.645 9.355 9.111 8.919 8.785 8.714 8.710 8.775 8.905 9.094 9.331 9.601 9.894 10.199 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 53.425 47.273 42.068 37.625 33.788 30.441 27.489 24.861 22.498 20.357 18.405 16.619 14.985 13.493 12.136 9.972 9.621 9.304 9.026 8.791 8.602 8.464 8.381 8.355 8.386 8.472 8.607 8.785 8.996 9.233 9.490 99999.999 99999.999 99999.999 99999.999 99999.999 53.467 47.314 42.108 37.663 33.826 30.478 27.528 24.900 22.540 20.401 18.453 16.670 15.039 13.551 12.201 9.980 9.612 9.275 8.972 8.704 8.475 8.288 8.147 8.053 8.008 8.012 8.062 8.156 8.288 8.452 8.645 8.861 9.099 99999.999 99999.999 99999.999 53.507 47.354 42.147 37.701 33.863 30.516 27.565 24.939 22.580 20.445 18.499 16.719 15.091 13.606 12.257 9.995 9.615 9.263 8.939 8.647 8.388 8.164 7.979 7.834 7.731 7.670 7.651 7.674 7.734 7.829 7.956 8.112 8.293 8.498 99999.999 99999.999 53.547 47.393 42.185 37.738 33.900 30.552 27.602 24.977 22.620 20.487 18.544 16.767 15.141 13.656 12.307 10.017 9.628 9.263 8.924 8.612 8.330 8.078 7.859 7.674 7.526 7.414 7.341 7.304 7.303 7.337 7.403 7.499 7.623 7.774 7.950 8.151 53.586 47.432 42.223 37.775 33.936 30.588 27.639 25.015 22.660 20.529 18.588 16.814 15.190 13.705 12.354 10.044 9.647 9.272 8.920 8.594 8.293 8.019 7.774 7.558 7.375 7.223 7.104 7.019 6.968 6.948 6.960 7.002 7.072 7.170 7.294 7.443 53.947 47.797 42.580 38.123 34.278 30.927 27.980 25.364 23.023 20.911 18.992 17.241 15.636 14.163 12.810 10.429 10.000 9.586 9.187 8.801 8.430 8.072 7.728 7.397 7.079 6.775 6.484 6.206 5.942 5.692 5.454 5.231 5.021 4.825 4.643 4.475 54.261 48.124 42.902 38.438 34.587 31.233 28.286 25.675 23.343 21.244 19.342 17.609 16.023 14.567 13.226 10.850 10.418 9.999 9.593 9.198 8.816 8.444 8.083 7.733 7.392 7.061 6.739 6.426 6.122 5.826 5.539 5.259 4.987 4.723 4.466 4.216 54.536 48.420 43.197 38.728 34.871 31.514 28.566 25.957 23.630 21.541 19.652 17.934 16.364 14.923 13.597 11.243 10.813 10.397 9.992 9.599 9.217 8.845 8.483 8.130 7.787 7.452 7.125 6.806 6.494 6.190 5.892 5.600 5.315 5.035 4.761 4.492 54.783 48.692 43.471 38.997 35.136 31.774 28.824 26.216 23.893 21.810 19.930 18.224 16.668 15.241 13.929 11.599 11.175 10.762 10.362 9.972 9.593 9.225 8.866 8.516 8.175 7.842 7.517 7.199 6.889 6.585 6.288 5.996 5.710 5.429 5.154 4.883 55.005 48.944 43.727 39.250 35.384 32.019 29.066 26.457 24.136 22.058 20.185 18.488 16.942 15.528 14.228 11.923 11.503 11.095 10.699 10.314 9.939 9.574 9.220 8.874 8.537 8.208 7.886 7.573 7.266 6.965 6.671 6.383 6.101 5.823 5.551 5.283 55.209 49.181 43.968 39.489 35.619 32.250 29.295 26.685 24.364 22.288 20.420 18.730 17.193 15.789 14.500 12.217 11.801 11.398 11.006 10.625 10.255 9.894 9.544 9.202 8.869 8.544 8.227 7.917 7.615 7.319 7.029 6.745 6.467 6.194 5.925 5.662 55.398 49.405 44.198 39.717 35.843 32.470 29.512 26.900 24.580 22.505 20.640 18.955 17.425 16.029 14.750 12.486 12.074 11.674 11.286 10.909 10.543 10.187 9.840 9.502 9.173 8.853 8.540 8.234 7.935 7.643 7.358 7.078 6.804 6.535 6.271 6.012 99999.999 49.620 44.417 39.935 36.058 32.682 29.720 27.106 24.785 22.710 20.848 19.166 17.641 16.252 14.980 12.733 12.325 11.929 11.544 11.171 10.808 10.455 10.112 9.778 9.453 9.135 8.826 8.524 8.229 7.941 7.659 7.383 7.113 6.848 6.588 6.333 Y(OH)3(s) Y(OH)3 P-T:All Wt.(g/mol) = 139.928 V(cc/mol) = 36.229 D(g/cc) = 3.862 Ref: Diak98b 3 1.000 50 3.000 2 -3.000 1 11.845 10.228 8.881 7.746 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.845 10.228 8.881 7.747 6.779 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.846 10.229 8.881 7.747 6.779 5.941 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.847 10.229 8.882 7.748 6.780 5.942 5.204 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.848 10.231 8.883 7.749 6.781 5.943 5.206 4.547 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.850 10.233 8.885 7.751 6.783 5.945 5.208 4.549 3.950 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.853 10.235 8.888 7.753 6.786 5.948 5.211 4.552 3.954 3.400 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.857 10.240 8.892 7.757 6.790 5.952 5.215 4.557 3.959 3.406 2.879 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.863 10.245 8.897 7.763 6.795 5.958 5.221 4.564 3.967 3.415 2.890 2.378 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.871 10.253 8.904 7.770 6.802 5.965 5.229 4.572 3.977 3.427 2.905 2.397 1.896 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.880 10.262 8.914 7.779 6.812 5.975 5.240 4.584 3.990 3.441 2.924 2.421 1.926 1.465 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.893 10.274 8.925 7.791 6.823 5.987 5.252 4.598 4.006 3.460 2.947 2.452 1.965 1.492 1.176 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.902 10.284 8.934 7.799 6.832 5.996 5.262 4.609 4.018 3.474 2.965 2.475 1.996 1.524 1.075 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.915 10.297 8.947 7.812 6.845 6.009 5.276 4.624 4.035 3.494 2.989 2.507 2.039 1.576 1.076 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.928 10.309 8.959 7.824 6.857 6.021 5.289 4.638 4.051 3.513 3.012 2.538 2.081 1.631 1.133 5.747 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.940 10.321 8.971 7.836 6.869 6.034 5.302 4.653 4.067 3.532 3.035 2.567 2.121 1.686 1.207 2.799 4.110 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.952 10.333 8.983 7.847 6.880 6.046 5.315 4.666 4.082 3.549 3.056 2.595 2.159 1.739 1.286 2.084 2.580 3.426 4.631 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.964 10.345 8.994 7.859 6.892 6.057 5.327 4.680 4.097 3.566 3.077 2.622 2.194 1.788 1.363 1.764 2.002 2.400 3.006 3.814 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.975 10.356 9.005 7.870 6.903 6.069 5.339 4.693 4.112 3.583 3.097 2.647 2.227 1.834 1.435 1.585 1.706 1.916 2.242 2.702 3.287 3.935 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.986 10.367 9.016 7.880 6.913 6.080 5.351 4.706 4.126 3.599 3.116 2.670 2.258 1.875 1.500 1.475 1.532 1.644 1.828 2.098 2.460 2.905 3.399 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.996 10.378 9.027 7.891 6.924 6.091 5.363 4.718 4.140 3.615 3.134 2.692 2.286 1.913 1.558 1.403 1.420 1.475 1.579 1.739 1.965 2.257 2.608 2.996 3.394 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.006 10.388 9.037 7.901 6.934 6.101 5.374 4.730 4.153 3.630 3.152 2.713 2.312 1.946 1.607 1.356 1.345 1.364 1.417 1.510 1.650 1.840 2.080 2.363 2.678 3.005 3.331 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.016 10.398 9.047 7.911 6.944 6.111 5.385 4.742 4.166 3.644 3.168 2.733 2.335 1.976 1.649 1.324 1.295 1.288 1.307 1.356 1.439 1.561 1.722 1.922 2.156 2.415 2.690 2.969 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.025 10.408 9.057 7.921 6.954 6.122 5.395 4.753 4.178 3.658 3.184 2.751 2.357 2.002 1.684 1.303 1.260 1.235 1.230 1.248 1.293 1.367 1.473 1.611 1.779 1.975 2.193 2.427 2.669 2.916 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.035 10.418 9.067 7.931 6.964 6.131 5.406 4.764 4.191 3.672 3.200 2.769 2.377 2.025 1.712 1.291 1.237 1.198 1.176 1.172 1.189 1.229 1.295 1.386 1.505 1.648 1.815 2.001 2.202 2.414 2.634 99999.999 99999.999 99999.999 99999.999 99999.999 12.043 10.427 9.076 7.940 6.973 6.141 5.416 4.775 4.203 3.685 3.215 2.785 2.395 2.045 1.735 1.284 1.222 1.173 1.137 1.117 1.114 1.129 1.165 1.222 1.302 1.403 1.527 1.670 1.830 2.005 2.193 2.390 2.597 99999.999 99999.999 99999.999 12.052 10.437 9.086 7.949 6.983 6.151 5.426 4.786 4.214 3.698 3.229 2.801 2.412 2.063 1.754 1.281 1.213 1.156 1.110 1.077 1.058 1.055 1.068 1.099 1.149 1.219 1.307 1.414 1.538 1.677 1.831 1.998 2.175 2.363 99999.999 99999.999 12.060 10.446 9.095 7.958 6.992 6.160 5.435 4.796 4.226 3.711 3.243 2.816 2.429 2.079 1.769 1.282 1.209 1.145 1.091 1.049 1.018 1.000 0.996 1.007 1.034 1.077 1.137 1.214 1.307 1.415 1.538 1.674 1.823 1.983 2.154 2.336 12.068 10.454 9.104 7.967 7.000 6.169 5.445 4.806 4.237 3.723 3.257 2.831 2.444 2.095 1.784 1.286 1.208 1.139 1.079 1.029 0.988 0.959 0.942 0.937 0.946 0.969 1.006 1.058 1.125 1.206 1.302 1.410 1.531 1.664 1.808 1.964 12.136 10.532 9.183 8.046 7.080 6.250 5.529 4.897 4.335 3.832 3.376 2.962 2.584 2.239 1.925 1.387 1.293 1.202 1.117 1.035 0.958 0.885 0.816 0.751 0.691 0.635 0.583 0.536 0.494 0.457 0.424 0.397 0.375 0.358 0.346 0.339 12.184 10.593 9.248 8.112 7.147 6.318 5.600 4.971 4.415 3.919 3.473 3.068 2.699 2.362 2.054 1.515 1.418 1.325 1.235 1.148 1.064 0.984 0.905 0.830 0.757 0.686 0.618 0.553 0.489 0.428 0.369 0.312 0.257 0.204 0.153 0.104 12.216 10.643 9.302 8.169 7.204 6.376 5.659 5.034 4.482 3.992 3.553 3.156 2.795 2.466 2.165 1.635 1.540 1.447 1.358 1.271 1.187 1.105 1.026 0.949 0.874 0.800 0.729 0.660 0.592 0.525 0.460 0.397 0.334 0.273 0.213 0.153 12.237 10.683 9.349 8.217 7.253 6.426 5.711 5.087 4.539 4.054 3.620 3.229 2.876 2.554 2.260 1.743 1.649 1.558 1.471 1.385 1.303 1.222 1.144 1.068 0.994 0.921 0.851 0.781 0.713 0.647 0.582 0.517 0.454 0.392 0.330 0.269 12.248 10.716 9.389 8.260 7.297 6.471 5.757 5.135 4.589 4.107 3.678 3.293 2.945 2.630 2.342 1.837 1.745 1.657 1.571 1.488 1.407 1.329 1.253 1.178 1.106 1.035 0.966 0.898 0.832 0.767 0.703 0.640 0.578 0.517 0.457 0.397 12.253 10.744 9.424 8.297 7.336 6.511 5.798 5.177 4.634 4.154 3.728 3.347 3.005 2.695 2.413 1.919 1.830 1.744 1.660 1.579 1.501 1.424 1.350 1.277 1.207 1.138 1.071 1.005 0.941 0.878 0.816 0.755 0.695 0.636 0.577 0.519 12.252 10.767 9.455 8.332 7.372 6.548 5.835 5.216 4.674 4.196 3.773 3.396 3.058 2.752 2.475 1.992 1.905 1.821 1.739 1.660 1.583 1.509 1.436 1.366 1.297 1.231 1.165 1.102 1.039 0.978 0.918 0.859 0.801 0.744 0.687 0.631 99999.999 10.788 9.483 8.363 7.405 6.582 5.870 5.251 4.710 4.234 3.813 3.439 3.104 2.803 2.530 2.056 1.971 1.889 1.809 1.732 1.657 1.584 1.514 1.445 1.378 1.313 1.250 1.188 1.127 1.068 1.009 0.952 0.896 0.841 0.786 0.732 La(OH)3(s) La(OH)3 P-T:All Wt.(g/mol) = 189.928 V(cc/mol) = 42.770 D(g/cc) = 4.441 Ref: Diak98b 3 1.000 51 3.000 2 -3.000 1 22.292 19.888 17.836 16.073 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.292 19.888 17.836 16.073 14.542 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.293 19.889 17.837 16.074 14.542 13.196 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.294 19.890 17.838 16.075 14.543 13.197 11.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.296 19.892 17.840 16.077 14.545 13.199 12.001 10.923 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.300 19.895 17.843 16.080 14.548 13.202 12.004 10.926 9.945 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.305 19.900 17.848 16.084 14.552 13.206 12.008 10.930 9.949 9.044 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.312 19.907 17.854 16.090 14.558 13.212 12.014 10.937 9.956 9.052 8.203 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.322 19.916 17.863 16.099 14.567 13.220 12.022 10.945 9.965 9.062 8.215 7.406 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.335 19.929 17.875 16.110 14.578 13.231 12.034 10.957 9.978 9.076 8.231 7.426 6.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.352 19.945 17.890 16.125 14.592 13.245 12.048 10.972 9.993 9.093 8.252 7.452 6.680 5.947 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.374 19.966 17.910 16.144 14.610 13.263 12.066 10.990 10.013 9.115 8.278 7.484 6.720 5.982 5.357 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.390 19.981 17.925 16.158 14.624 13.277 12.080 11.005 10.029 9.132 8.297 7.508 6.751 6.016 5.298 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.414 20.004 17.947 16.179 14.644 13.296 12.100 11.025 10.050 9.155 8.324 7.542 6.795 6.070 5.321 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.437 20.026 17.968 16.199 14.664 13.316 12.119 11.045 10.071 9.178 8.351 7.574 6.837 6.124 5.383 8.145 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.459 20.048 17.988 16.219 14.683 13.335 12.138 11.065 10.092 9.201 8.376 7.606 6.877 6.178 5.456 6.028 6.855 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.481 20.069 18.009 16.238 14.702 13.353 12.157 11.084 10.112 9.222 8.401 7.635 6.916 6.230 5.532 5.514 5.756 6.248 6.977 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.503 20.090 18.029 16.258 14.720 13.371 12.175 11.102 10.131 9.243 8.425 7.664 6.952 6.278 5.605 5.289 5.344 5.516 5.836 6.291 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.525 20.111 18.049 16.277 14.739 13.389 12.193 11.121 10.150 9.264 8.448 7.691 6.986 6.323 5.673 5.168 5.138 5.174 5.294 5.511 5.810 6.142 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.546 20.131 18.068 16.295 14.757 13.407 12.211 11.139 10.169 9.284 8.470 7.717 7.017 6.364 5.734 5.097 5.019 4.985 5.004 5.085 5.233 5.437 5.667 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.566 20.152 18.087 16.314 14.775 13.425 12.228 11.157 10.188 9.304 8.492 7.742 7.047 6.402 5.789 5.054 4.947 4.871 4.832 4.836 4.887 4.986 5.125 5.287 5.450 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.587 20.171 18.106 16.332 14.792 13.442 12.245 11.174 10.206 9.323 8.512 7.765 7.075 6.436 5.837 5.028 4.902 4.799 4.723 4.679 4.670 4.697 4.761 4.855 4.968 5.088 5.202 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.607 20.191 18.125 16.350 14.809 13.459 12.262 11.191 10.223 9.342 8.533 7.788 7.101 6.467 5.879 5.013 4.874 4.752 4.652 4.576 4.527 4.506 4.515 4.552 4.614 4.692 4.779 4.867 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.626 20.210 18.144 16.368 14.827 13.475 12.279 11.208 10.241 9.360 8.552 7.809 7.125 6.495 5.914 5.007 4.857 4.723 4.605 4.507 4.430 4.376 4.346 4.340 4.357 4.393 4.445 4.507 4.575 4.646 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.646 20.229 18.162 16.385 14.843 13.492 12.295 11.225 10.258 9.378 8.572 7.830 7.147 6.520 5.944 5.006 4.849 4.704 4.575 4.460 4.363 4.285 4.227 4.188 4.170 4.172 4.190 4.222 4.265 4.316 4.373 99999.999 99999.999 99999.999 99999.999 99999.999 22.665 20.248 18.180 16.402 14.860 13.508 12.311 11.241 10.275 9.395 8.590 7.850 7.168 6.542 5.970 5.009 4.846 4.694 4.555 4.429 4.317 4.221 4.142 4.079 4.034 4.007 3.996 4.000 4.016 4.044 4.081 4.126 4.179 99999.999 99999.999 99999.999 22.683 20.267 18.198 16.420 14.877 13.524 12.327 11.257 10.291 9.413 8.608 7.869 7.188 6.563 5.991 5.015 4.847 4.690 4.543 4.408 4.286 4.176 4.081 4.000 3.934 3.884 3.849 3.828 3.820 3.825 3.841 3.866 3.901 3.944 99999.999 99999.999 22.702 20.285 18.215 16.436 14.893 13.540 12.343 11.273 10.308 9.430 8.626 7.888 7.208 6.583 6.011 5.024 4.852 4.690 4.538 4.396 4.265 4.145 4.037 3.942 3.860 3.792 3.737 3.695 3.667 3.650 3.645 3.651 3.667 3.692 3.727 3.771 22.720 20.303 18.233 16.453 14.909 13.556 12.358 11.288 10.324 9.446 8.643 7.906 7.226 6.602 6.029 5.034 4.860 4.694 4.537 4.390 4.252 4.124 4.006 3.900 3.805 3.722 3.652 3.593 3.546 3.511 3.488 3.475 3.473 3.480 3.497 3.524 22.888 20.473 18.397 16.610 15.060 13.703 12.503 11.434 10.471 9.599 8.803 8.071 7.398 6.776 6.201 5.178 4.992 4.811 4.637 4.467 4.303 4.144 3.991 3.842 3.699 3.560 3.427 3.298 3.175 3.057 2.944 2.836 2.734 2.636 2.544 2.457 23.035 20.626 18.546 16.754 15.198 13.837 12.634 11.563 10.602 9.732 8.940 8.214 7.546 6.929 6.358 5.334 5.146 4.964 4.786 4.613 4.445 4.280 4.120 3.964 3.812 3.664 3.519 3.378 3.240 3.105 2.973 2.845 2.719 2.596 2.477 2.359 23.166 20.766 18.684 16.887 15.326 13.960 12.754 11.682 10.720 9.852 9.063 8.341 7.677 7.064 6.497 5.479 5.292 5.110 4.933 4.760 4.591 4.426 4.266 4.109 3.955 3.805 3.658 3.515 3.374 3.236 3.100 2.967 2.836 2.708 2.581 2.457 23.285 20.896 18.813 17.012 15.447 14.076 12.867 11.792 10.829 9.961 9.173 8.454 7.794 7.185 6.622 5.611 5.425 5.244 5.068 4.896 4.728 4.565 4.405 4.249 4.096 3.946 3.800 3.657 3.516 3.378 3.242 3.109 2.978 2.849 2.722 2.597 23.394 21.019 18.936 17.131 15.561 14.186 12.973 11.895 10.931 10.062 9.276 8.558 7.900 7.295 6.735 5.731 5.546 5.367 5.192 5.021 4.855 4.692 4.534 4.379 4.227 4.079 3.933 3.791 3.651 3.514 3.380 3.248 3.118 2.990 2.864 2.740 23.496 21.136 19.053 17.244 15.670 14.291 13.074 11.994 11.027 10.158 9.371 8.654 7.999 7.395 6.838 5.840 5.657 5.478 5.305 5.135 4.970 4.809 4.652 4.498 4.347 4.200 4.056 3.915 3.777 3.641 3.508 3.377 3.249 3.122 2.998 2.875 23.592 21.248 19.166 17.354 15.776 14.393 13.172 12.089 11.120 10.249 9.461 8.745 8.090 7.489 6.933 5.941 5.759 5.581 5.409 5.240 5.076 4.916 4.760 4.607 4.458 4.312 4.169 4.030 3.893 3.758 3.626 3.497 3.370 3.244 3.121 3.000 99999.999 21.358 19.275 17.460 15.878 14.491 13.267 12.180 11.209 10.336 9.548 8.831 8.176 7.576 7.022 6.034 5.853 5.676 5.504 5.337 5.174 5.015 4.860 4.708 4.560 4.415 4.273 4.135 3.999 3.865 3.735 3.606 3.480 3.356 3.234 3.114 Pr(OH)3(s) Pr(OH)3 P-T:All Wt.(g/mol) = 191.930 V(cc/mol) = 40.967 D(g/cc) = 4.685 Ref: Diak98a 3 1.000 53 3.000 2 -3.000 1 21.826 19.440 17.398 15.641 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.826 19.440 17.398 15.641 14.111 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.827 19.441 17.399 15.641 14.111 12.763 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.828 19.442 17.400 15.642 14.112 12.764 11.562 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.831 19.444 17.402 15.644 14.114 12.766 11.564 10.479 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.834 19.447 17.406 15.647 14.117 12.769 11.567 10.482 9.492 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.840 19.453 17.410 15.652 14.121 12.773 11.571 10.487 9.497 8.582 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.848 19.460 17.417 15.659 14.128 12.780 11.578 10.494 9.504 8.590 7.728 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.859 19.470 17.427 15.667 14.136 12.788 11.586 10.503 9.514 8.600 7.741 6.918 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.873 19.483 17.439 15.679 14.148 12.800 11.598 10.515 9.527 8.615 7.758 6.939 6.146 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.892 19.500 17.455 15.695 14.163 12.814 11.613 10.530 9.544 8.633 7.780 6.966 6.179 5.437 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.916 19.523 17.476 15.715 14.182 12.833 11.632 10.550 9.565 8.657 7.807 7.000 6.221 5.471 4.865 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.934 19.539 17.492 15.730 14.197 12.848 11.647 10.566 9.581 8.675 7.828 7.026 6.254 5.506 4.787 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.960 19.563 17.514 15.751 14.217 12.868 11.668 10.587 9.604 8.700 7.857 7.062 6.301 5.562 4.801 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.985 19.587 17.537 15.772 14.238 12.888 11.688 10.608 9.626 8.724 7.885 7.097 6.346 5.620 4.863 8.329 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.010 19.610 17.559 15.793 14.258 12.908 11.708 10.628 9.648 8.747 7.913 7.130 6.389 5.677 4.940 5.783 6.812 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.035 19.633 17.580 15.814 14.278 12.928 11.727 10.649 9.669 8.771 7.939 7.162 6.430 5.732 5.020 5.167 5.492 6.119 7.048 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.059 19.656 17.601 15.834 14.297 12.947 11.746 10.668 9.690 8.793 7.964 7.192 6.469 5.784 5.098 4.895 4.996 5.237 5.659 6.250 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.083 19.678 17.622 15.854 14.316 12.966 11.765 10.688 9.710 8.815 7.989 7.221 6.505 5.832 5.171 4.746 4.745 4.823 5.003 5.300 5.702 6.153 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.106 19.700 17.643 15.873 14.335 12.984 11.784 10.707 9.730 8.836 8.012 7.249 6.539 5.877 5.237 4.657 4.600 4.594 4.651 4.784 4.998 5.282 5.605 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.129 19.722 17.663 15.893 14.354 13.002 11.802 10.725 9.749 8.857 8.035 7.276 6.571 5.917 5.296 4.601 4.510 4.454 4.441 4.480 4.577 4.731 4.936 5.173 5.415 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.152 19.743 17.683 15.912 14.372 13.020 11.820 10.744 9.768 8.877 8.058 7.301 6.601 5.954 5.348 4.567 4.452 4.364 4.307 4.288 4.311 4.378 4.490 4.639 4.814 4.999 5.181 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.174 19.764 17.703 15.931 14.391 13.038 11.838 10.762 9.787 8.897 8.079 7.325 6.628 5.987 5.392 4.546 4.414 4.304 4.219 4.161 4.135 4.144 4.188 4.267 4.375 4.505 4.648 4.795 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.196 19.785 17.723 15.949 14.408 13.056 11.855 10.780 9.806 8.917 8.100 7.348 6.654 6.016 5.430 4.534 4.391 4.265 4.159 4.074 4.015 3.983 3.979 4.005 4.058 4.136 4.233 4.343 4.462 4.584 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.218 19.805 17.742 15.968 14.426 13.073 11.873 10.797 9.824 8.936 8.121 7.370 6.678 6.043 5.462 4.530 4.377 4.239 4.118 4.015 3.931 3.870 3.832 3.818 3.828 3.862 3.916 3.987 4.073 4.168 4.271 99999.999 99999.999 99999.999 99999.999 99999.999 22.239 19.826 17.761 15.986 14.444 13.090 11.890 10.814 9.842 8.954 8.140 7.391 6.701 6.067 5.489 4.530 4.370 4.224 4.091 3.973 3.872 3.789 3.726 3.682 3.660 3.658 3.675 3.711 3.763 3.828 3.904 3.991 4.086 99999.999 99999.999 99999.999 22.260 19.846 17.780 16.004 14.461 13.107 11.906 10.831 9.859 8.973 8.160 7.411 6.722 6.089 5.511 4.534 4.369 4.215 4.073 3.945 3.831 3.731 3.649 3.583 3.535 3.505 3.492 3.498 3.519 3.555 3.603 3.664 3.736 3.818 99999.999 99999.999 22.281 19.865 17.799 16.022 14.478 13.123 11.923 10.848 9.876 8.991 8.179 7.431 6.743 6.110 5.531 4.541 4.372 4.212 4.064 3.927 3.802 3.690 3.592 3.509 3.441 3.389 3.353 3.332 3.327 3.337 3.360 3.395 3.443 3.501 3.571 3.651 22.301 19.885 17.817 16.039 14.495 13.140 11.939 10.864 9.893 9.008 8.197 7.451 6.763 6.130 5.550 4.551 4.377 4.213 4.059 3.915 3.782 3.661 3.551 3.455 3.371 3.302 3.246 3.204 3.177 3.163 3.163 3.175 3.200 3.236 3.283 3.341 22.492 20.069 17.992 16.205 14.654 13.295 12.092 11.017 10.050 9.171 8.367 7.627 6.945 6.315 5.733 4.696 4.508 4.326 4.149 3.979 3.814 3.654 3.500 3.352 3.209 3.071 2.939 2.813 2.692 2.576 2.466 2.362 2.264 2.172 2.085 2.004 22.662 20.236 18.151 16.357 14.799 13.435 12.229 11.154 10.187 9.312 8.513 7.780 7.104 6.479 5.900 4.861 4.671 4.486 4.305 4.130 3.959 3.793 3.631 3.473 3.319 3.169 3.022 2.879 2.740 2.604 2.471 2.342 2.215 2.092 1.971 1.854 22.815 20.390 18.299 16.498 14.934 13.565 12.355 11.279 10.312 9.439 8.643 7.915 7.244 6.624 6.049 5.017 4.827 4.642 4.462 4.286 4.115 3.947 3.784 3.625 3.469 3.316 3.167 3.021 2.877 2.737 2.599 2.463 2.330 2.200 2.071 1.945 22.956 20.534 18.438 16.631 15.061 13.687 12.474 11.394 10.427 9.554 8.761 8.036 7.369 6.754 6.183 5.159 4.970 4.786 4.607 4.433 4.262 4.096 3.933 3.774 3.619 3.467 3.318 3.171 3.028 2.887 2.749 2.613 2.479 2.347 2.218 2.090 23.087 20.670 18.570 16.757 15.182 13.803 12.586 11.503 10.535 9.661 8.869 8.146 7.483 6.871 6.304 5.288 5.100 4.918 4.740 4.567 4.398 4.233 4.072 3.914 3.760 3.609 3.461 3.316 3.174 3.034 2.897 2.762 2.629 2.498 2.369 2.242 23.211 20.800 18.697 16.878 15.298 13.914 12.692 11.607 10.636 9.762 8.970 8.248 7.587 6.978 6.415 5.405 5.220 5.039 4.862 4.691 4.523 4.359 4.199 4.043 3.890 3.740 3.594 3.450 3.309 3.171 3.035 2.902 2.770 2.641 2.514 2.388 23.328 20.926 18.819 16.995 15.410 14.021 12.795 11.707 10.734 9.858 9.066 8.344 7.685 7.078 6.517 5.513 5.329 5.149 4.974 4.804 4.637 4.475 4.316 4.161 4.010 3.861 3.716 3.574 3.434 3.298 3.163 3.031 2.901 2.774 2.648 2.524 99999.999 21.048 18.938 17.109 15.518 14.125 12.895 11.803 10.828 9.950 9.157 8.435 7.776 7.171 6.612 5.614 5.430 5.252 5.078 4.908 4.743 4.582 4.424 4.270 4.120 3.973 3.829 3.688 3.550 3.414 3.281 3.150 3.022 2.895 2.771 2.648 Nd(OH)3(s) Nd(OH)3 P-T:All Wt.(g/mol) = 195.262 V(cc/mol) = 39.430 D(g/cc) = 4.952 Ref: Diak98b 3 1.000 54 3.000 2 -3.000 1 19.803 17.606 15.721 14.094 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.803 17.606 15.721 14.094 12.675 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.804 17.607 15.721 14.094 12.676 11.424 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.805 17.608 15.722 14.096 12.677 11.425 10.307 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.807 17.610 15.724 14.097 12.679 11.427 10.309 9.298 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.811 17.613 15.727 14.100 12.682 11.430 10.312 9.301 8.377 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.817 17.618 15.732 14.105 12.686 11.434 10.316 9.306 8.382 7.525 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.824 17.625 15.739 14.111 12.692 11.440 10.322 9.312 8.389 7.533 6.725 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.835 17.635 15.748 14.120 12.701 11.449 10.331 9.321 8.398 7.544 6.738 5.963 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.849 17.648 15.760 14.132 12.712 11.460 10.342 9.333 8.411 7.557 6.754 5.983 5.235 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.868 17.665 15.776 14.147 12.726 11.474 10.357 9.348 8.427 7.575 6.775 6.009 5.266 4.562 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.891 17.687 15.796 14.166 12.745 11.493 10.375 9.367 8.448 7.598 6.802 6.043 5.308 4.596 4.011 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.909 17.704 15.812 14.181 12.759 11.507 10.390 9.382 8.463 7.615 6.822 6.068 5.340 4.631 3.941 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.934 17.727 15.834 14.202 12.780 11.526 10.410 9.403 8.485 7.639 6.850 6.103 5.385 4.686 3.960 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.959 17.750 15.856 14.222 12.799 11.546 10.429 9.423 8.507 7.663 6.877 6.136 5.429 4.742 4.021 7.209 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.984 17.773 15.877 14.242 12.819 11.565 10.449 9.443 8.527 7.686 6.903 6.168 5.470 4.798 4.097 4.863 5.806 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.008 17.795 15.898 14.262 12.838 11.584 10.467 9.462 8.548 7.708 6.929 6.199 5.510 4.851 4.175 4.295 4.590 5.162 6.005 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.031 17.817 15.919 14.282 12.857 11.603 10.486 9.481 8.568 7.729 6.953 6.228 5.547 4.901 4.250 4.045 4.133 4.350 4.732 5.267 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.055 17.839 15.939 14.301 12.876 11.621 10.504 9.500 8.588 7.751 6.977 6.256 5.582 4.947 4.321 3.909 3.903 3.970 4.130 4.397 4.758 5.160 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.078 17.860 15.959 14.321 12.894 11.639 10.522 9.519 8.607 7.771 7.000 6.283 5.615 4.990 4.385 3.828 3.770 3.759 3.806 3.923 4.113 4.367 4.653 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.100 17.882 15.979 14.339 12.912 11.657 10.540 9.537 8.626 7.791 7.022 6.308 5.646 5.029 4.442 3.778 3.688 3.631 3.614 3.644 3.727 3.863 4.044 4.251 4.462 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.122 17.902 15.999 14.358 12.930 11.674 10.557 9.554 8.644 7.811 7.043 6.333 5.674 5.064 4.491 3.747 3.636 3.549 3.492 3.469 3.484 3.540 3.636 3.765 3.917 4.078 4.234 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.144 17.923 16.018 14.376 12.948 11.691 10.575 9.572 8.662 7.830 7.064 6.356 5.701 5.096 4.534 3.729 3.602 3.496 3.411 3.353 3.323 3.325 3.360 3.426 3.518 3.630 3.752 3.877 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.165 17.943 16.037 14.394 12.965 11.708 10.591 9.589 8.680 7.849 7.084 6.378 5.726 5.125 4.571 3.720 3.582 3.461 3.357 3.274 3.214 3.178 3.169 3.187 3.229 3.294 3.375 3.468 3.568 3.671 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.187 17.963 16.056 14.412 12.982 11.725 10.608 9.606 8.697 7.867 7.104 6.399 5.749 5.150 4.602 3.717 3.571 3.438 3.321 3.220 3.138 3.076 3.035 3.016 3.020 3.044 3.087 3.145 3.216 3.296 3.382 99999.999 99999.999 99999.999 99999.999 99999.999 20.207 17.983 16.075 14.430 12.999 11.742 10.624 9.622 8.714 7.885 7.123 6.419 5.771 5.174 4.628 3.718 3.566 3.425 3.297 3.183 3.085 3.003 2.939 2.893 2.866 2.858 2.868 2.894 2.935 2.988 3.051 3.122 3.202 99999.999 99999.999 99999.999 20.228 18.002 16.093 14.447 13.016 11.758 10.641 9.639 8.731 7.903 7.141 6.439 5.791 5.195 4.650 3.723 3.565 3.418 3.282 3.159 3.048 2.951 2.869 2.803 2.753 2.719 2.702 2.700 2.713 2.740 2.778 2.827 2.885 2.953 99999.999 99999.999 20.248 18.022 16.111 14.465 13.032 11.774 10.657 9.655 8.748 7.920 7.159 6.458 5.811 5.215 4.669 3.731 3.569 3.417 3.275 3.143 3.022 2.914 2.818 2.736 2.668 2.614 2.575 2.550 2.539 2.542 2.557 2.583 2.620 2.667 2.725 2.792 20.268 18.041 16.129 14.482 13.049 11.790 10.672 9.671 8.764 7.937 7.177 6.477 5.830 5.234 4.687 3.740 3.575 3.419 3.272 3.134 3.006 2.888 2.782 2.687 2.605 2.535 2.478 2.434 2.403 2.385 2.378 2.383 2.400 2.427 2.464 2.511 20.454 18.219 16.298 14.642 13.203 11.939 10.819 9.818 8.914 8.092 7.340 6.646 6.006 5.413 4.863 3.883 3.705 3.532 3.365 3.202 3.045 2.893 2.746 2.604 2.467 2.335 2.208 2.087 1.970 1.858 1.752 1.651 1.555 1.465 1.380 1.300 20.619 18.381 16.452 14.789 13.343 12.074 10.951 9.949 9.046 8.228 7.480 6.792 6.157 5.569 5.023 4.042 3.862 3.686 3.516 3.349 3.187 3.029 2.874 2.724 2.577 2.434 2.294 2.157 2.024 1.894 1.767 1.642 1.521 1.402 1.286 1.173 20.767 18.529 16.595 14.924 13.472 12.199 11.072 10.068 9.166 8.349 7.604 6.920 6.291 5.707 5.166 4.191 4.011 3.836 3.665 3.499 3.336 3.177 3.022 2.871 2.722 2.577 2.435 2.295 2.158 2.024 1.892 1.763 1.635 1.510 1.387 1.265 20.903 18.667 16.728 15.052 13.594 12.315 11.185 10.178 9.275 8.459 7.716 7.036 6.409 5.831 5.293 4.326 4.148 3.974 3.804 3.639 3.477 3.319 3.165 3.014 2.866 2.721 2.579 2.440 2.303 2.169 2.037 1.907 1.779 1.653 1.529 1.406 21.028 18.798 16.855 15.173 13.709 12.426 11.292 10.282 9.377 8.560 7.818 7.140 6.517 5.942 5.408 4.448 4.271 4.099 3.931 3.767 3.606 3.450 3.297 3.147 3.000 2.857 2.716 2.578 2.442 2.309 2.178 2.049 1.922 1.797 1.674 1.553 21.146 18.923 16.976 15.288 13.819 12.531 11.393 10.381 9.474 8.656 7.914 7.237 6.616 6.044 5.513 4.560 4.384 4.213 4.046 3.884 3.725 3.569 3.418 3.269 3.124 2.982 2.842 2.706 2.571 2.440 2.310 2.183 2.057 1.934 1.812 1.692 21.258 19.043 17.092 15.400 13.926 12.633 11.491 10.475 9.566 8.747 8.005 7.328 6.708 6.138 5.610 4.662 4.488 4.318 4.152 3.991 3.833 3.679 3.528 3.381 3.237 3.096 2.958 2.823 2.690 2.560 2.431 2.305 2.181 2.059 1.939 1.821 99999.999 19.159 17.206 15.508 14.029 12.732 11.586 10.567 9.655 8.834 8.091 7.414 6.795 6.226 5.700 4.757 4.583 4.415 4.250 4.089 3.933 3.780 3.630 3.484 3.342 3.202 3.065 2.931 2.799 2.670 2.543 2.418 2.295 2.175 2.056 1.938 Eu(OH)3(s) Eu(OH)3 P-T:All Wt.(g/mol) = 202.986 V(cc/mol) = 38.437 D(g/cc) = 5.281 Ref: Diak98a 3 1.000 57 3.000 2 -3.000 1 20.770 18.467 16.499 14.807 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.770 18.467 16.499 14.807 13.335 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.771 18.467 16.500 14.808 13.336 12.040 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.772 18.468 16.501 14.809 13.337 12.041 10.886 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.774 18.470 16.503 14.810 13.339 12.043 10.888 9.845 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.777 18.473 16.506 14.813 13.341 12.046 10.890 9.848 8.897 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.782 18.478 16.510 14.817 13.345 12.050 10.895 9.853 8.901 8.021 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.789 18.484 16.516 14.823 13.351 12.055 10.901 9.859 8.908 8.028 7.199 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.798 18.493 16.525 14.832 13.359 12.063 10.909 9.868 8.918 8.039 7.212 6.418 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.810 18.505 16.536 14.843 13.370 12.074 10.920 9.879 8.930 8.053 7.228 6.438 5.673 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.826 18.520 16.551 14.857 13.384 12.088 10.934 9.894 8.946 8.070 7.249 6.464 5.705 4.987 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.846 18.540 16.569 14.875 13.401 12.105 10.952 9.913 8.966 8.093 7.276 6.498 5.746 5.021 4.433 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.861 18.554 16.583 14.888 13.415 12.119 10.965 9.927 8.981 8.110 7.296 6.523 5.778 5.055 4.357 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.882 18.575 16.604 14.908 13.434 12.138 10.985 9.947 9.003 8.134 7.324 6.558 5.824 5.110 4.371 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.903 18.596 16.623 14.927 13.453 12.156 11.004 9.967 9.024 8.157 7.351 6.591 5.868 5.167 4.433 7.851 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.924 18.616 16.643 14.946 13.471 12.175 11.022 9.986 9.044 8.179 7.377 6.624 5.910 5.223 4.509 5.356 6.367 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.944 18.636 16.662 14.964 13.489 12.192 11.040 10.005 9.064 8.201 7.402 6.654 5.950 5.277 4.588 4.752 5.073 5.691 6.602 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.964 18.655 16.681 14.982 13.507 12.210 11.058 10.023 9.084 8.222 7.426 6.684 5.987 5.327 4.664 4.484 4.587 4.826 5.242 5.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 20.983 18.674 16.699 15.000 13.524 12.227 11.075 10.041 9.103 8.243 7.449 6.712 6.023 5.374 4.736 4.338 4.341 4.421 4.599 4.893 5.288 5.730 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.002 18.693 16.717 15.018 13.541 12.244 11.093 10.059 9.121 8.263 7.472 6.738 6.055 5.417 4.801 4.251 4.198 4.195 4.254 4.387 4.599 4.879 5.196 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.020 18.712 16.735 15.035 13.558 12.261 11.109 10.076 9.139 8.283 7.494 6.763 6.086 5.457 4.858 4.196 4.109 4.058 4.048 4.089 4.186 4.340 4.542 4.774 5.012 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.038 18.730 16.753 15.052 13.575 12.277 11.126 10.093 9.157 8.302 7.515 6.788 6.115 5.492 4.909 4.162 4.052 3.969 3.917 3.901 3.925 3.994 4.105 4.252 4.425 4.607 4.786 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.056 18.748 16.770 15.069 13.591 12.293 11.142 10.110 9.175 8.321 7.535 6.810 6.141 5.524 4.952 4.141 4.015 3.910 3.829 3.776 3.753 3.764 3.809 3.888 3.996 4.125 4.266 4.410 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.073 18.765 16.787 15.085 13.607 12.309 11.158 10.126 9.192 8.339 7.555 6.832 6.166 5.553 4.989 4.129 3.992 3.871 3.770 3.690 3.635 3.606 3.604 3.631 3.685 3.763 3.860 3.969 4.086 4.206 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.090 18.782 16.804 15.102 13.623 12.325 11.174 10.142 9.209 8.357 7.574 6.853 6.189 5.578 5.019 4.124 3.978 3.846 3.730 3.631 3.553 3.495 3.460 3.448 3.460 3.495 3.549 3.621 3.705 3.800 3.901 99999.999 99999.999 99999.999 99999.999 99999.999 21.107 18.799 16.820 15.118 13.638 12.340 11.189 10.158 9.225 8.374 7.593 6.873 6.210 5.601 5.045 4.124 3.971 3.830 3.703 3.591 3.494 3.415 3.355 3.315 3.295 3.295 3.314 3.350 3.402 3.467 3.543 3.628 3.722 99999.999 99999.999 99999.999 21.124 18.816 16.837 15.133 13.654 12.355 11.204 10.173 9.241 8.391 7.611 6.892 6.230 5.622 5.067 4.128 3.969 3.822 3.686 3.563 3.453 3.359 3.280 3.217 3.172 3.145 3.135 3.141 3.163 3.200 3.249 3.310 3.380 3.461 99999.999 99999.999 21.140 18.833 16.853 15.149 13.669 12.370 11.219 10.189 9.257 8.408 7.629 6.911 6.250 5.642 5.086 4.135 3.971 3.818 3.676 3.544 3.425 3.318 3.224 3.145 3.081 3.031 2.998 2.979 2.976 2.987 3.010 3.046 3.094 3.152 3.221 3.300 21.156 18.849 16.869 15.164 13.684 12.385 11.234 10.204 9.273 8.424 7.646 6.929 6.269 5.661 5.104 4.143 3.977 3.819 3.671 3.533 3.405 3.289 3.184 3.091 3.012 2.945 2.893 2.854 2.829 2.817 2.818 2.831 2.856 2.893 2.940 2.998 21.299 18.999 17.017 15.308 13.823 12.522 11.370 10.342 9.415 8.573 7.803 7.094 6.440 5.836 5.276 4.281 4.100 3.924 3.755 3.591 3.432 3.278 3.130 2.987 2.849 2.717 2.589 2.467 2.351 2.239 2.134 2.033 1.939 1.849 1.766 1.688 21.420 19.131 17.148 15.436 13.948 12.644 11.491 10.463 9.539 8.701 7.937 7.235 6.587 5.988 5.433 4.436 4.253 4.075 3.902 3.733 3.569 3.409 3.253 3.101 2.952 2.808 2.666 2.529 2.394 2.263 2.135 2.009 1.887 1.768 1.651 1.538 21.525 19.250 17.267 15.553 14.061 12.755 11.600 10.571 9.648 8.814 8.053 7.357 6.715 6.121 5.571 4.581 4.399 4.221 4.048 3.880 3.715 3.554 3.397 3.244 3.094 2.947 2.803 2.662 2.524 2.388 2.255 2.124 1.996 1.869 1.745 1.622 21.616 19.358 17.377 15.661 14.167 12.857 11.700 10.671 9.748 8.915 8.157 7.465 6.828 6.239 5.694 4.712 4.532 4.355 4.184 4.016 3.853 3.693 3.537 3.384 3.235 3.088 2.945 2.804 2.666 2.530 2.397 2.266 2.137 2.009 1.884 1.760 21.696 19.457 17.480 15.762 14.265 12.953 11.794 10.763 9.840 9.007 8.252 7.562 6.929 6.345 5.803 4.831 4.651 4.477 4.307 4.141 3.979 3.820 3.666 3.514 3.366 3.221 3.079 2.939 2.802 2.668 2.536 2.406 2.278 2.152 2.027 1.904 21.768 19.550 17.576 15.857 14.358 13.043 11.882 10.850 9.926 9.093 8.339 7.651 7.021 6.440 5.902 4.938 4.760 4.587 4.418 4.254 4.093 3.936 3.783 3.633 3.487 3.343 3.202 3.064 2.929 2.796 2.665 2.537 2.410 2.286 2.163 2.042 21.834 19.638 17.668 15.948 14.447 13.129 11.966 10.932 10.007 9.174 8.420 7.733 7.105 6.527 5.993 5.035 4.859 4.687 4.520 4.357 4.197 4.042 3.890 3.742 3.596 3.454 3.315 3.179 3.045 2.913 2.784 2.657 2.532 2.409 2.288 2.169 99999.999 19.722 17.756 16.035 14.532 13.212 12.047 11.011 10.084 9.251 8.496 7.811 7.184 6.608 6.076 5.124 4.949 4.778 4.612 4.451 4.293 4.138 3.988 3.841 3.697 3.556 3.418 3.283 3.150 3.020 2.892 2.767 2.643 2.522 2.402 2.284 Gd(OH)3(s) Gd(OH)3 P-T:All Wt.(g/mol) = 208.272 V(cc/mol) = 37.930 D(g/cc) = 5.491 Ref: Diak98a 3 1.000 58 3.000 2 -3.000 1 19.490 17.331 15.491 13.911 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.490 17.331 15.491 13.911 12.539 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.491 17.332 15.491 13.911 12.540 11.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.492 17.333 15.492 13.912 12.541 11.335 10.261 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.494 17.335 15.494 13.914 12.542 11.337 10.263 9.295 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.497 17.338 15.497 13.917 12.545 11.339 10.266 9.298 8.415 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.501 17.342 15.501 13.921 12.549 11.343 10.270 9.303 8.420 7.602 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.507 17.348 15.507 13.926 12.554 11.349 10.276 9.309 8.426 7.610 6.839 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.516 17.356 15.515 13.934 12.562 11.356 10.284 9.317 8.436 7.620 6.852 6.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.527 17.367 15.525 13.944 12.572 11.367 10.294 9.328 8.447 7.634 6.868 6.132 5.418 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.542 17.382 15.539 13.958 12.585 11.380 10.308 9.342 8.463 7.651 6.888 6.158 5.449 4.780 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.561 17.400 15.557 13.975 12.602 11.396 10.325 9.360 8.482 7.673 6.914 6.191 5.490 4.813 4.273 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.575 17.414 15.570 13.988 12.615 11.409 10.338 9.374 8.497 7.689 6.934 6.216 5.522 4.847 4.195 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.596 17.434 15.589 14.006 12.633 11.427 10.356 9.393 8.518 7.712 6.961 6.250 5.567 4.902 4.209 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.615 17.453 15.608 14.024 12.651 11.445 10.374 9.412 8.538 7.735 6.987 6.283 5.611 4.958 4.269 7.815 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.635 17.472 15.626 14.042 12.668 11.462 10.392 9.431 8.558 7.756 7.013 6.315 5.652 5.014 4.345 5.294 6.333 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.654 17.491 15.644 14.060 12.685 11.479 10.409 9.449 8.577 7.778 7.037 6.345 5.692 5.067 4.423 4.683 5.026 5.667 6.605 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.672 17.509 15.662 14.077 12.702 11.496 10.426 9.466 8.596 7.798 7.061 6.374 5.729 5.117 4.500 4.412 4.533 4.793 5.230 5.834 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.690 17.527 15.679 14.093 12.718 11.512 10.443 9.483 8.614 7.818 7.084 6.401 5.763 5.164 4.571 4.264 4.284 4.382 4.580 4.893 5.310 5.774 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.708 17.545 15.697 14.110 12.734 11.528 10.459 9.500 8.632 7.838 7.106 6.427 5.796 5.206 4.635 4.175 4.139 4.154 4.231 4.382 4.612 4.912 5.249 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.725 17.562 15.713 14.126 12.750 11.544 10.475 9.517 8.649 7.857 7.127 6.452 5.826 5.245 4.693 4.119 4.049 4.014 4.022 4.080 4.194 4.366 4.587 4.838 5.094 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.742 17.579 15.730 14.142 12.766 11.559 10.491 9.533 8.666 7.875 7.147 6.475 5.854 5.280 4.743 4.083 3.990 3.924 3.888 3.889 3.930 4.016 4.144 4.309 4.500 4.700 4.896 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.758 17.596 15.746 14.158 12.781 11.575 10.506 9.549 8.683 7.893 7.167 6.497 5.880 5.312 4.785 4.061 3.952 3.864 3.799 3.762 3.756 3.783 3.845 3.940 4.065 4.211 4.369 4.530 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.775 17.612 15.762 14.173 12.796 11.590 10.521 9.565 8.700 7.911 7.186 6.519 5.904 5.340 4.822 4.049 3.928 3.824 3.739 3.675 3.636 3.622 3.637 3.680 3.751 3.844 3.957 4.083 4.216 4.352 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.790 17.628 15.778 14.189 12.811 11.604 10.536 9.580 8.716 7.928 7.205 6.539 5.926 5.365 4.852 4.043 3.913 3.797 3.697 3.615 3.552 3.510 3.490 3.494 3.522 3.572 3.643 3.730 3.830 3.940 4.057 99999.999 99999.999 99999.999 99999.999 99999.999 19.806 17.644 15.793 14.204 12.826 11.619 10.551 9.595 8.731 7.944 7.223 6.558 5.947 5.387 4.877 4.043 3.906 3.781 3.670 3.573 3.492 3.429 3.384 3.359 3.354 3.370 3.404 3.456 3.523 3.603 3.694 3.794 3.903 99999.999 99999.999 99999.999 19.821 17.660 15.809 14.219 12.840 11.633 10.565 9.610 8.747 7.961 7.240 6.577 5.967 5.408 4.899 4.046 3.903 3.771 3.651 3.544 3.450 3.371 3.307 3.260 3.230 3.217 3.222 3.244 3.281 3.332 3.396 3.471 3.556 3.652 99999.999 99999.999 19.836 17.675 15.824 14.233 12.854 11.647 10.579 9.624 8.762 7.977 7.257 6.595 5.986 5.427 4.917 4.051 3.904 3.767 3.641 3.525 3.420 3.329 3.250 3.186 3.136 3.102 3.083 3.079 3.090 3.115 3.154 3.204 3.266 3.338 3.421 3.515 19.851 17.690 15.838 14.247 12.869 11.661 10.593 9.638 8.777 7.993 7.274 6.613 6.004 5.445 4.934 4.059 3.909 3.767 3.635 3.512 3.400 3.299 3.209 3.131 3.066 3.015 2.976 2.952 2.941 2.943 2.958 2.986 3.025 3.075 3.136 3.208 19.983 17.829 15.976 14.381 12.999 11.789 10.721 9.769 8.912 8.135 7.425 6.772 6.170 5.615 5.102 4.192 4.027 3.867 3.713 3.564 3.421 3.282 3.148 3.019 2.896 2.777 2.663 2.555 2.451 2.353 2.260 2.173 2.091 2.014 1.943 1.877 20.093 17.951 16.097 14.500 13.115 11.903 10.834 9.883 9.029 8.256 7.552 6.906 6.312 5.762 5.253 4.342 4.175 4.013 3.856 3.702 3.553 3.408 3.266 3.128 2.994 2.863 2.735 2.611 2.489 2.371 2.256 2.143 2.033 1.926 1.822 1.720 20.186 18.059 16.207 14.608 13.220 12.006 10.935 9.984 9.132 8.362 7.663 7.023 6.434 5.890 5.386 4.483 4.317 4.155 3.998 3.844 3.695 3.549 3.406 3.267 3.131 2.998 2.868 2.740 2.615 2.492 2.372 2.254 2.138 2.023 1.911 1.800 20.266 18.156 16.307 14.706 13.316 12.100 11.028 10.076 9.225 8.457 7.761 7.125 6.541 6.003 5.504 4.610 4.445 4.285 4.129 3.977 3.829 3.684 3.542 3.404 3.268 3.136 3.006 2.878 2.753 2.631 2.510 2.392 2.275 2.160 2.046 1.934 20.336 18.245 16.400 14.798 13.406 12.188 11.114 10.162 9.310 8.544 7.850 7.217 6.637 6.103 5.609 4.724 4.561 4.403 4.248 4.097 3.951 3.807 3.667 3.530 3.396 3.265 3.136 3.010 2.887 2.765 2.646 2.528 2.413 2.299 2.186 2.076 20.398 18.328 16.487 14.885 13.491 12.271 11.195 10.241 9.389 8.623 7.931 7.300 6.724 6.193 5.704 4.826 4.665 4.508 4.356 4.207 4.061 3.919 3.781 3.645 3.513 3.383 3.256 3.132 3.010 2.890 2.772 2.656 2.542 2.430 2.319 2.210 20.453 18.407 16.569 14.967 13.572 12.349 11.272 10.317 9.464 8.698 8.006 7.377 6.803 6.276 5.789 4.919 4.760 4.604 4.453 4.305 4.162 4.021 3.884 3.750 3.619 3.491 3.366 3.243 3.122 3.004 2.887 2.773 2.661 2.550 2.441 2.334 99999.999 18.481 16.648 15.046 13.649 12.425 11.346 10.389 9.535 8.769 8.077 7.449 6.876 6.351 5.868 5.004 4.846 4.692 4.542 4.395 4.253 4.114 3.978 3.846 3.716 3.589 3.465 3.343 3.224 3.107 2.993 2.880 2.769 2.660 2.552 2.446 Tb(OH)3(s) Tb(OH)3 P-T:All Wt.(g/mol) = 209.947 V(cc/mol) = 37.356 D(g/cc) = 5.620 Ref: Diak98a 3 1.000 59 3.000 2 -3.000 1 19.377 17.133 15.219 13.576 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.377 17.133 15.219 13.576 12.149 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.378 17.133 15.219 13.577 12.150 10.896 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.379 17.134 15.220 13.578 12.151 10.897 9.780 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.380 17.136 15.222 13.579 12.152 10.898 9.781 8.775 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.383 17.139 15.225 13.582 12.155 10.901 9.784 8.777 7.859 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.388 17.143 15.229 13.586 12.159 10.905 9.788 8.782 7.863 7.013 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.394 17.149 15.234 13.591 12.164 10.910 9.794 8.788 7.870 7.021 6.220 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.402 17.157 15.242 13.599 12.172 10.918 9.802 8.796 7.879 7.031 6.232 5.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.413 17.168 15.253 13.609 12.182 10.928 9.812 8.807 7.891 7.044 6.248 5.484 4.744 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.428 17.182 15.266 13.622 12.194 10.941 9.825 8.821 7.906 7.062 6.269 5.511 4.776 4.086 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.446 17.199 15.283 13.638 12.211 10.957 9.842 8.839 7.926 7.084 6.295 5.544 4.818 4.118 3.571 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.460 17.213 15.296 13.651 12.223 10.969 9.855 8.852 7.940 7.100 6.315 5.569 4.850 4.152 3.483 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.479 17.232 15.315 13.669 12.241 10.987 9.873 8.872 7.961 7.123 6.342 5.604 4.896 4.206 3.493 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.498 17.251 15.333 13.686 12.258 11.004 9.891 8.890 7.981 7.146 6.369 5.637 4.940 4.264 3.553 7.379 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.517 17.269 15.350 13.704 12.275 11.021 9.908 8.908 8.001 7.168 6.395 5.669 4.982 4.320 3.629 4.669 5.793 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.535 17.287 15.368 13.721 12.292 11.038 9.925 8.926 8.020 7.189 6.419 5.700 5.022 4.375 3.709 4.013 4.387 5.084 6.106 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.553 17.305 15.385 13.737 12.308 11.054 9.942 8.944 8.038 7.209 6.443 5.729 5.060 4.426 3.787 3.721 3.858 4.143 4.620 5.281 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.570 17.322 15.402 13.753 12.324 11.070 9.958 8.961 8.057 7.229 6.466 5.757 5.095 4.473 3.860 3.560 3.589 3.701 3.920 4.265 4.723 5.235 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.587 17.339 15.418 13.769 12.339 11.086 9.974 8.977 8.074 7.249 6.488 5.783 5.128 4.517 3.926 3.463 3.432 3.454 3.544 3.713 3.969 4.300 4.674 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.604 17.355 15.434 13.785 12.355 11.101 9.990 8.994 8.092 7.268 6.509 5.808 5.158 4.556 3.984 3.401 3.333 3.302 3.318 3.387 3.517 3.709 3.955 4.236 4.524 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.620 17.372 15.450 13.801 12.370 11.116 10.005 9.010 8.109 7.286 6.530 5.831 5.187 4.592 4.035 3.361 3.268 3.204 3.172 3.180 3.231 3.330 3.476 3.662 3.876 4.102 4.326 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.636 17.388 15.466 13.816 12.385 11.131 10.020 9.025 8.125 7.304 6.549 5.854 5.213 4.623 4.079 3.336 3.226 3.138 3.075 3.042 3.042 3.078 3.151 3.262 3.404 3.569 3.749 3.933 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.651 17.404 15.481 13.831 12.400 11.146 10.035 9.041 8.142 7.321 6.569 5.875 5.237 4.652 4.116 3.321 3.198 3.093 3.008 2.947 2.911 2.904 2.926 2.980 3.062 3.171 3.300 3.444 3.597 3.754 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 19.666 17.419 15.496 13.845 12.414 11.160 10.049 9.056 8.157 7.338 6.587 5.896 5.260 4.677 4.146 3.313 3.181 3.063 2.962 2.880 2.819 2.781 2.766 2.778 2.814 2.875 2.958 3.060 3.176 3.303 3.438 99999.999 99999.999 99999.999 99999.999 99999.999 19.681 17.434 15.511 13.860 12.428 11.174 10.064 9.070 8.173 7.355 6.605 5.915 5.281 4.700 4.172 3.311 3.171 3.044 2.931 2.834 2.753 2.692 2.651 2.630 2.632 2.655 2.699 2.762 2.841 2.935 3.041 3.157 3.282 99999.999 99999.999 99999.999 19.696 17.449 15.526 13.874 12.442 11.188 10.078 9.085 8.188 7.371 6.623 5.934 5.300 4.720 4.193 3.313 3.166 3.032 2.910 2.801 2.706 2.628 2.566 2.522 2.496 2.489 2.501 2.531 2.577 2.639 2.715 2.803 2.903 3.013 99999.999 99999.999 19.710 17.464 15.540 13.888 12.456 11.202 10.092 9.099 8.203 7.387 6.640 5.952 5.319 4.739 4.211 3.317 3.166 3.026 2.896 2.778 2.673 2.581 2.503 2.441 2.394 2.363 2.349 2.352 2.370 2.404 2.451 2.512 2.585 2.670 2.766 2.873 19.724 17.478 15.555 13.902 12.470 11.215 10.105 9.113 8.218 7.403 6.656 5.969 5.338 4.758 4.228 3.324 3.170 3.024 2.889 2.764 2.650 2.547 2.457 2.380 2.316 2.267 2.232 2.212 2.207 2.216 2.239 2.274 2.323 2.383 2.455 2.538 19.849 17.611 15.686 14.030 12.595 11.339 10.230 9.241 8.351 7.544 6.806 6.128 5.504 4.927 4.395 3.453 3.283 3.118 2.959 2.805 2.657 2.514 2.377 2.244 2.117 1.996 1.879 1.769 1.663 1.564 1.469 1.381 1.298 1.221 1.150 1.085 19.952 17.726 15.802 14.144 12.706 11.448 10.339 9.351 8.465 7.663 6.932 6.262 5.645 5.075 4.547 3.604 3.431 3.263 3.100 2.941 2.787 2.637 2.491 2.349 2.210 2.075 1.944 1.815 1.690 1.569 1.450 1.334 1.222 1.112 1.005 0.901 20.038 17.827 15.905 14.246 12.806 11.547 10.436 9.449 8.565 7.767 7.041 6.377 5.767 5.203 4.681 3.745 3.573 3.406 3.243 3.084 2.929 2.778 2.631 2.487 2.347 2.209 2.075 1.943 1.814 1.687 1.563 1.441 1.322 1.204 1.088 0.975 20.110 17.918 15.999 14.339 12.898 11.637 10.525 9.538 8.655 7.859 7.137 6.478 5.873 5.315 4.798 3.872 3.702 3.536 3.375 3.217 3.064 2.914 2.767 2.624 2.484 2.347 2.213 2.082 1.953 1.826 1.702 1.579 1.459 1.340 1.223 1.108 20.173 18.000 16.086 14.426 12.982 11.720 10.607 9.620 8.737 7.943 7.224 6.568 5.968 5.414 4.903 3.986 3.818 3.654 3.494 3.338 3.186 3.038 2.893 2.752 2.613 2.478 2.345 2.215 2.087 1.962 1.838 1.717 1.598 1.480 1.364 1.250 20.228 18.077 16.166 14.506 13.062 11.798 10.684 9.696 8.813 8.020 7.302 6.650 6.052 5.503 4.996 4.089 3.922 3.760 3.602 3.448 3.297 3.151 3.008 2.868 2.731 2.597 2.466 2.337 2.211 2.087 1.966 1.846 1.729 1.613 1.499 1.386 20.276 18.148 16.243 14.583 13.138 11.872 10.757 9.767 8.884 8.091 7.375 6.724 6.130 5.584 5.081 4.181 4.016 3.856 3.699 3.547 3.398 3.253 3.111 2.973 2.838 2.705 2.576 2.449 2.325 2.202 2.082 1.965 1.849 1.735 1.622 1.511 99999.999 18.216 16.315 14.656 13.210 11.943 10.826 9.835 8.952 8.159 7.443 6.794 6.201 5.658 5.158 4.265 4.102 3.942 3.787 3.636 3.489 3.346 3.206 3.069 2.935 2.804 2.676 2.551 2.428 2.307 2.189 2.072 1.958 1.845 1.734 1.625 Ho(OH)3(s) Ho(OH)3 P-T:All Wt.(g/mol) = 215.952 V(cc/mol) = 36.382 D(g/cc) = 5.936 Ref: Diak98a 3 1.000 61 3.000 2 -3.000 1 17.797 15.670 13.859 12.307 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.797 15.670 13.859 12.307 10.960 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.797 15.670 13.859 12.307 10.961 9.778 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.798 15.671 13.860 12.308 10.962 9.779 8.726 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.800 15.673 13.862 12.310 10.963 9.780 8.728 7.779 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.803 15.676 13.865 12.312 10.966 9.783 8.730 7.781 6.915 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.808 15.680 13.869 12.316 10.970 9.787 8.734 7.786 6.920 6.118 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.814 15.686 13.875 12.322 10.975 9.792 8.740 7.792 6.927 6.125 5.368 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.822 15.694 13.883 12.330 10.983 9.800 8.748 7.800 6.936 6.135 5.380 4.653 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.834 15.705 13.893 12.340 10.993 9.810 8.758 7.811 6.948 6.149 5.397 4.673 3.970 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.848 15.719 13.907 12.353 11.006 9.823 8.772 7.826 6.963 6.167 5.418 4.700 4.002 3.346 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.867 15.738 13.924 12.370 11.022 9.840 8.789 7.844 6.983 6.189 5.444 4.733 4.044 3.378 2.860 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.881 15.751 13.938 12.383 11.035 9.853 8.802 7.857 6.998 6.205 5.464 4.758 4.076 3.412 2.774 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.900 15.771 13.956 12.401 11.053 9.871 8.821 7.877 7.019 6.229 5.491 4.793 4.122 3.467 2.785 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.920 15.790 13.975 12.419 11.071 9.888 8.839 7.896 7.039 6.251 5.518 4.827 4.166 3.524 2.845 6.681 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.939 15.808 13.993 12.436 11.088 9.905 8.856 7.914 7.059 6.273 5.544 4.859 4.208 3.581 2.921 3.999 5.120 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.957 15.827 14.011 12.454 11.105 9.922 8.873 7.932 7.078 6.295 5.569 4.889 4.248 3.635 3.001 3.350 3.729 4.426 5.445 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.975 15.845 14.028 12.470 11.121 9.939 8.890 7.950 7.097 6.315 5.592 4.919 4.286 3.686 3.079 3.061 3.205 3.495 3.976 4.636 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 17.992 15.862 14.045 12.487 11.137 9.955 8.907 7.967 7.115 6.335 5.615 4.946 4.321 3.734 3.152 2.902 2.939 3.058 3.283 3.632 4.092 4.605 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.010 15.879 14.062 12.503 11.153 9.971 8.923 7.984 7.133 6.355 5.638 4.973 4.354 3.777 3.218 2.806 2.784 2.814 2.911 3.086 3.346 3.681 4.058 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.026 15.896 14.078 12.519 11.169 9.986 8.939 8.000 7.151 6.374 5.659 4.998 4.385 3.817 3.276 2.745 2.686 2.664 2.687 2.764 2.900 3.097 3.348 3.632 3.923 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.043 15.913 14.094 12.535 11.184 10.002 8.954 8.017 7.168 6.393 5.680 5.021 4.413 3.852 3.327 2.706 2.623 2.567 2.544 2.559 2.617 2.723 2.874 3.064 3.283 3.512 3.739 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.059 15.929 14.110 12.550 11.200 10.017 8.970 8.032 7.185 6.411 5.700 5.044 4.440 3.884 3.371 2.682 2.581 2.502 2.448 2.423 2.430 2.473 2.553 2.669 2.816 2.986 3.170 3.357 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.074 15.945 14.126 12.566 11.214 10.032 8.985 8.048 7.201 6.428 5.719 5.065 4.464 3.913 3.407 2.667 2.554 2.458 2.382 2.329 2.301 2.301 2.331 2.390 2.479 2.593 2.727 2.875 3.031 3.192 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 18.090 15.961 14.141 12.581 11.229 10.046 8.999 8.063 7.217 6.446 5.738 5.086 4.487 3.938 3.438 2.660 2.537 2.429 2.337 2.264 2.211 2.180 2.173 2.191 2.234 2.301 2.389 2.495 2.616 2.747 2.886 99999.999 99999.999 99999.999 99999.999 99999.999 18.105 15.976 14.156 12.595 11.244 10.060 9.014 8.078 7.233 6.462 5.756 5.106 4.508 3.961 3.464 2.658 2.527 2.410 2.306 2.218 2.146 2.092 2.058 2.045 2.053 2.083 2.132 2.201 2.285 2.384 2.494 2.614 2.742 99999.999 99999.999 99999.999 18.119 15.991 14.171 12.610 11.258 10.075 9.028 8.093 7.248 6.479 5.773 5.124 4.528 3.981 3.485 2.660 2.524 2.399 2.286 2.186 2.100 2.029 1.975 1.938 1.919 1.919 1.937 1.973 2.025 2.092 2.172 2.265 2.368 2.482 99999.999 99999.999 18.134 16.006 14.186 12.624 11.272 10.088 9.042 8.107 7.263 6.495 5.790 5.143 4.547 4.001 3.504 2.665 2.524 2.393 2.273 2.164 2.067 1.983 1.913 1.858 1.818 1.795 1.787 1.796 1.820 1.859 1.912 1.978 2.055 2.144 2.244 2.355 18.148 16.021 14.200 12.638 11.285 10.102 9.056 8.121 7.278 6.511 5.807 5.160 4.565 4.019 3.521 2.672 2.527 2.392 2.266 2.150 2.044 1.950 1.868 1.798 1.742 1.700 1.672 1.658 1.659 1.674 1.702 1.743 1.796 1.861 1.937 2.024 18.274 16.155 14.334 12.768 11.413 10.228 9.182 8.251 7.413 6.653 5.958 5.320 4.732 4.190 3.689 2.802 2.642 2.487 2.338 2.193 2.054 1.920 1.791 1.667 1.548 1.434 1.326 1.222 1.124 1.031 0.944 0.862 0.785 0.715 0.649 0.590 18.377 16.271 14.451 12.883 11.525 10.339 9.293 8.362 7.528 6.773 6.085 5.455 4.874 4.338 3.841 2.953 2.791 2.633 2.480 2.330 2.185 2.044 1.906 1.773 1.642 1.515 1.391 1.271 1.153 1.039 0.927 0.818 0.712 0.609 0.508 0.410 18.463 16.374 14.555 12.986 11.626 10.438 9.391 8.461 7.629 6.878 6.195 5.571 4.996 4.466 3.975 3.095 2.933 2.776 2.623 2.473 2.328 2.186 2.047 1.912 1.779 1.650 1.523 1.399 1.277 1.158 1.041 0.926 0.813 0.702 0.593 0.485 18.536 16.465 14.650 13.081 11.719 10.529 9.481 8.551 7.719 6.971 6.292 5.672 5.103 4.579 4.093 3.222 3.062 2.907 2.755 2.607 2.462 2.321 2.184 2.049 1.917 1.788 1.662 1.538 1.417 1.297 1.180 1.064 0.951 0.839 0.728 0.619 18.598 16.548 14.737 13.168 11.804 10.613 9.563 8.633 7.802 7.055 6.378 5.762 5.198 4.678 4.198 3.337 3.178 3.024 2.874 2.728 2.585 2.446 2.309 2.176 2.046 1.918 1.794 1.671 1.551 1.433 1.316 1.202 1.090 0.979 0.869 0.761 18.652 16.624 14.818 13.249 11.885 10.691 9.641 8.709 7.878 7.132 6.457 5.844 5.283 4.768 4.291 3.439 3.283 3.130 2.982 2.837 2.696 2.558 2.424 2.292 2.164 2.038 1.914 1.793 1.675 1.558 1.444 1.331 1.220 1.111 1.003 0.897 18.700 16.695 14.895 13.326 11.960 10.766 9.714 8.781 7.950 7.204 6.530 5.919 5.361 4.848 4.376 3.532 3.377 3.226 3.079 2.936 2.797 2.660 2.527 2.397 2.270 2.146 2.024 1.905 1.788 1.673 1.560 1.449 1.340 1.232 1.126 1.022 99999.999 16.763 14.967 13.399 12.033 10.837 9.783 8.850 8.018 7.272 6.599 5.988 5.432 4.923 4.453 3.616 3.462 3.313 3.168 3.026 2.888 2.753 2.621 2.493 2.367 2.245 2.124 2.006 1.891 1.777 1.666 1.557 1.449 1.343 1.239 1.136 dissakisite-La CaLaMgAl2(SiO4)3OH P-T:All Wt.(g/mol) = 550.508 V(cc/mol) = 137.800 D(g/cc) = 3.995 Ref: Janots07 7 1.000 9 1.000 51 1.000 10 2.000 8 3.000 7 -13.000 1 1.000 2 50.506 43.206 36.819 31.272 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.506 43.206 36.819 31.272 26.423 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.509 43.209 36.822 31.275 26.426 22.142 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.514 43.215 36.828 31.281 26.432 22.148 18.314 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.523 43.225 36.837 31.290 26.442 22.158 18.325 14.848 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.537 43.240 36.853 31.306 26.458 22.174 18.341 14.865 11.669 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.559 43.263 36.876 31.329 26.481 22.198 18.366 14.892 11.698 8.710 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.589 43.295 36.909 31.362 26.514 22.232 18.402 14.930 11.739 8.756 5.902 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.630 43.339 36.954 31.407 26.560 22.279 18.451 14.981 11.795 8.819 5.975 3.188 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.684 43.398 37.013 31.466 26.620 22.340 18.515 15.050 11.869 8.902 6.073 3.307 0.567 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.753 43.472 37.089 31.542 26.697 22.419 18.597 15.138 11.965 9.008 6.197 3.461 0.750 -1.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.838 43.566 37.184 31.639 26.794 22.519 18.702 15.248 12.085 9.142 6.354 3.653 0.988 -1.641 -3.722 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.902 43.636 37.256 31.712 26.868 22.595 18.781 15.333 12.176 9.244 6.472 3.799 1.171 -1.442 -4.025 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 50.990 43.735 37.357 31.813 26.971 22.701 18.891 15.450 12.303 9.385 6.637 4.001 1.428 -1.133 -3.888 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.073 43.829 37.455 31.912 27.072 22.804 18.999 15.564 12.426 9.522 6.796 4.195 1.676 -0.818 -3.543 13.569 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.152 43.920 37.549 32.008 27.169 22.904 19.103 15.675 12.546 9.655 6.948 4.381 1.913 -0.510 -3.133 1.944 6.875 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.227 44.007 37.640 32.101 27.263 23.001 19.205 15.783 12.662 9.783 7.096 4.558 2.137 -0.214 -2.712 -0.782 0.917 3.996 8.476 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.298 44.091 37.728 32.191 27.355 23.096 19.303 15.887 12.775 9.907 7.237 4.728 2.350 0.064 -2.305 -1.945 -1.263 0.049 2.180 5.093 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.365 44.172 37.813 32.278 27.444 23.187 19.399 15.989 12.885 10.028 7.374 4.889 2.549 0.324 -1.925 -2.551 -2.327 -1.754 -0.726 0.830 2.866 5.130 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.429 44.249 37.895 32.362 27.530 23.276 19.492 16.088 12.991 10.144 7.505 5.043 2.737 0.564 -1.578 -2.891 -2.917 -2.722 -2.248 -1.439 -0.267 1.223 2.893 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.489 44.324 37.974 32.444 27.614 23.363 19.583 16.184 13.094 10.258 7.632 5.190 2.913 0.785 -1.266 -3.083 -3.262 -3.289 -3.129 -2.743 -2.104 -1.204 -0.080 1.185 2.478 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.545 44.395 38.051 32.523 27.696 23.447 19.671 16.277 13.195 10.367 7.754 5.329 3.077 0.986 -0.990 -3.183 -3.465 -3.634 -3.667 -3.542 -3.234 -2.730 -2.031 -1.165 -0.184 0.844 1.857 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.598 44.464 38.125 32.600 27.775 23.529 19.756 16.368 13.292 10.474 7.872 5.462 3.230 1.169 -0.749 -3.225 -3.578 -3.843 -4.006 -4.050 -3.959 -3.719 -3.323 -2.777 -2.100 -1.326 -0.496 0.351 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.648 44.529 38.197 32.675 27.852 23.608 19.839 16.456 13.387 10.577 7.986 5.589 3.374 1.335 -0.540 -3.226 -3.630 -3.964 -4.217 -4.378 -4.434 -4.376 -4.195 -3.887 -3.459 -2.924 -2.305 -1.627 -0.913 -0.183 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 51.694 44.593 38.266 32.747 27.926 23.686 19.920 16.542 13.480 10.678 8.096 5.711 3.509 1.487 -0.360 -3.199 -3.641 -4.025 -4.344 -4.588 -4.750 -4.820 -4.792 -4.660 -4.425 -4.089 -3.664 -3.163 -2.603 -1.998 -1.359 99999.999 99999.999 99999.999 99999.999 99999.999 51.738 44.653 38.333 32.817 27.999 23.761 19.999 16.626 13.570 10.775 8.203 5.827 3.636 1.625 -0.205 -3.151 -3.623 -4.045 -4.412 -4.718 -4.956 -5.121 -5.205 -5.204 -5.115 -4.938 -4.676 -4.337 -3.929 -3.462 -2.946 -2.387 -1.789 99999.999 99999.999 99999.999 51.778 44.711 38.397 32.885 28.069 23.834 20.076 16.708 13.658 10.870 8.306 5.939 3.756 1.753 -0.069 -3.089 -3.583 -4.034 -4.438 -4.791 -5.087 -5.321 -5.490 -5.587 -5.611 -5.558 -5.429 -5.227 -4.956 -4.622 -4.231 -3.789 -3.299 -2.764 99999.999 99999.999 51.815 44.766 38.460 32.950 28.137 23.905 20.151 16.787 13.743 10.963 8.406 6.047 3.871 1.873 0.052 -3.015 -3.527 -4.001 -4.434 -4.822 -5.162 -5.451 -5.683 -5.856 -5.966 -6.011 -5.989 -5.900 -5.747 -5.531 -5.257 -4.929 -4.549 -4.120 -3.643 -3.117 51.850 44.819 38.520 33.014 28.204 23.974 20.223 16.864 13.826 11.052 8.503 6.152 3.982 1.988 0.167 -2.933 -3.460 -3.952 -4.407 -4.823 -5.198 -5.528 -5.810 -6.041 -6.219 -6.340 -6.403 -6.407 -6.352 -6.239 -6.070 -5.846 -5.570 -5.243 -4.868 -4.445 52.052 45.229 39.012 33.550 28.770 24.570 20.854 17.536 14.550 11.837 9.355 7.072 4.965 3.019 1.222 -1.960 -2.535 -3.090 -3.626 -4.144 -4.642 -5.123 -5.584 -6.027 -6.451 -6.857 -7.243 -7.609 -7.956 -8.281 -8.586 -8.869 -9.131 -9.370 -9.586 -9.779 52.035 45.454 39.338 33.931 29.189 25.022 21.338 18.058 15.115 12.453 10.028 7.804 5.756 3.865 2.115 -1.010 -1.581 -2.136 -2.676 -3.200 -3.711 -4.207 -4.690 -5.161 -5.619 -6.066 -6.501 -6.925 -7.338 -7.741 -8.133 -8.516 -8.888 -9.251 -9.605 -9.949 51.845 45.532 39.532 34.189 29.491 25.359 21.708 18.462 15.558 12.940 10.563 8.391 6.397 4.558 2.858 -0.183 -0.740 -1.282 -1.810 -2.324 -2.824 -3.313 -3.790 -4.255 -4.711 -5.156 -5.592 -6.019 -6.438 -6.849 -7.252 -7.649 -8.039 -8.423 -8.801 -9.174 51.515 45.490 39.618 34.348 29.698 25.604 21.986 18.774 15.905 13.325 10.991 8.865 6.919 5.128 3.475 0.522 -0.019 -0.545 -1.057 -1.556 -2.043 -2.517 -2.981 -3.433 -3.876 -4.310 -4.734 -5.151 -5.560 -5.962 -6.357 -6.746 -7.130 -7.508 -7.882 -8.251 51.071 45.351 39.615 34.423 29.827 25.772 22.190 19.010 16.174 13.629 11.332 9.247 7.344 5.597 3.988 1.120 0.595 0.085 -0.412 -0.895 -1.366 -1.826 -2.274 -2.712 -3.141 -3.560 -3.970 -4.373 -4.768 -5.156 -5.538 -5.914 -6.284 -6.650 -7.011 -7.367 50.532 45.130 39.537 34.429 29.889 25.877 22.330 19.183 16.378 13.866 11.603 9.555 7.690 5.983 4.414 1.625 1.116 0.621 0.139 -0.329 -0.785 -1.230 -1.664 -2.087 -2.501 -2.906 -3.302 -3.690 -4.071 -4.445 -4.813 -5.174 -5.530 -5.881 -6.228 -6.570 49.913 44.840 39.396 34.375 29.894 25.928 22.417 19.303 16.529 14.047 11.816 9.800 7.970 6.299 4.767 2.052 1.557 1.076 0.609 0.155 -0.288 -0.719 -1.138 -1.548 -1.948 -2.339 -2.722 -3.096 -3.464 -3.824 -4.178 -4.526 -4.868 -5.205 -5.538 -5.866 99999.999 44.492 39.201 34.269 29.851 25.931 22.459 19.377 16.633 14.181 11.979 9.994 8.195 6.557 5.059 2.411 1.930 1.462 1.008 0.567 0.138 -0.280 -0.687 -1.084 -1.472 -1.850 -2.220 -2.582 -2.936 -3.284 -3.625 -3.960 -4.290 -4.615 -4.935 -5.250 allanite CaCeFeAl2(SiO4)3OH P-T:All Wt.(g/mol) = 583.265 V(cc/mol) = 142.500 D(g/cc) = 4.093 Ref: Spear10 7 -13.000 1 1.000 9 1.000 52 1.000 11 2.000 8 3.000 7 1.000 2 115.713 102.941 91.913 82.382 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.713 102.941 91.913 82.382 74.077 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.717 102.945 91.916 82.385 74.080 66.769 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.722 102.951 91.922 82.392 74.086 66.775 60.267 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.732 102.961 91.933 82.402 74.097 66.786 60.278 54.422 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.748 102.978 91.950 82.419 74.114 66.803 60.296 54.440 49.113 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.771 103.003 91.974 82.443 74.139 66.828 60.322 54.468 49.144 44.236 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.804 103.038 92.010 82.479 74.174 66.864 60.360 54.508 49.187 44.284 39.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.849 103.086 92.058 82.527 74.223 66.914 60.411 54.563 49.246 44.350 39.767 35.398 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.908 103.149 92.122 82.591 74.287 66.980 60.480 54.635 49.323 44.436 39.868 35.520 31.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.983 103.230 92.204 82.673 74.370 67.064 60.567 54.728 49.424 44.547 39.997 35.678 31.522 27.597 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 116.077 103.332 92.308 82.777 74.475 67.171 60.678 54.845 49.550 44.687 40.160 35.877 31.765 27.810 24.521 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 116.147 103.409 92.386 82.856 74.554 67.252 60.762 54.934 49.645 44.793 40.283 36.027 31.953 28.013 24.214 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 116.244 103.516 92.496 82.966 74.665 67.366 60.880 55.059 49.780 44.941 40.454 36.235 32.216 28.328 24.352 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 116.336 103.620 92.602 83.073 74.774 67.476 60.995 55.180 49.910 45.085 40.619 36.436 32.470 28.649 24.702 39.927 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 116.424 103.720 92.705 83.177 74.879 67.584 61.107 55.298 50.036 45.224 40.778 36.628 32.713 28.964 25.119 28.138 32.753 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 116.508 103.816 92.805 83.278 74.981 67.688 61.215 55.412 50.159 45.358 40.931 36.811 32.944 29.266 25.546 25.376 26.713 29.461 33.647 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 116.588 103.909 92.901 83.376 75.081 67.790 61.321 55.523 50.278 45.489 41.079 36.987 33.162 29.551 25.959 24.199 24.504 25.460 27.257 29.861 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 116.664 103.998 92.995 83.472 75.177 67.889 61.424 55.632 50.394 45.616 41.222 37.154 33.368 29.817 26.346 23.587 23.427 23.633 24.311 25.536 27.260 29.228 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 116.737 104.085 93.086 83.564 75.271 67.986 61.524 55.737 50.507 45.739 41.360 37.314 33.562 30.063 26.700 23.244 22.831 22.653 22.769 23.236 24.081 25.260 26.631 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 116.805 104.168 93.173 83.654 75.363 68.079 61.621 55.840 50.617 45.858 41.492 37.467 33.743 30.289 27.017 23.052 22.483 22.080 21.878 21.914 22.219 22.797 23.613 24.582 25.589 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 116.870 104.248 93.259 83.741 75.452 68.171 61.716 55.940 50.723 45.974 41.620 37.612 33.913 30.496 27.299 22.952 22.279 21.732 21.333 21.106 21.073 21.250 21.633 22.195 22.883 23.629 24.368 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 116.932 104.325 93.341 83.826 75.539 68.260 61.809 56.037 50.828 46.086 41.744 37.751 34.073 30.685 27.546 22.912 22.167 21.522 20.992 20.592 20.340 20.248 20.323 20.560 20.938 21.424 21.975 22.552 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 116.990 104.400 93.421 83.909 75.623 68.347 61.899 56.132 50.929 46.196 41.864 37.884 34.222 30.857 27.760 22.913 22.116 21.401 20.780 20.261 19.859 19.582 19.440 19.434 19.560 19.802 20.137 20.541 20.988 21.460 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 117.045 104.472 93.498 83.989 75.705 68.431 61.987 56.225 51.028 46.302 41.980 38.011 34.362 31.013 27.946 22.943 22.107 21.341 20.653 20.050 19.541 19.133 18.835 18.651 18.581 18.620 18.758 18.981 19.271 19.614 19.999 99999.999 99999.999 99999.999 99999.999 99999.999 117.097 104.541 93.573 84.066 75.785 68.513 62.072 56.315 51.124 46.406 42.092 38.133 34.494 31.157 28.106 22.994 22.128 21.324 20.586 19.920 19.333 18.830 18.418 18.101 17.881 17.759 17.731 17.789 17.925 18.127 18.386 18.695 19.050 99999.999 99999.999 99999.999 117.146 104.607 93.646 84.142 75.863 68.593 62.156 56.403 51.218 46.507 42.201 38.250 34.620 31.290 28.247 23.060 22.171 21.337 20.561 19.848 19.202 18.628 18.130 17.713 17.379 17.131 16.968 16.886 16.882 16.949 17.080 17.270 17.515 17.811 99999.999 99999.999 117.192 104.671 93.716 84.215 75.938 68.672 62.237 56.489 51.309 46.605 42.307 38.364 34.740 31.415 28.373 23.137 22.230 21.373 20.568 19.818 19.127 18.499 17.936 17.442 17.020 16.673 16.401 16.204 16.080 16.026 16.039 16.113 16.245 16.433 16.675 16.972 117.234 104.732 93.784 84.287 76.012 68.748 62.316 56.572 51.398 46.701 42.410 38.474 34.857 31.535 28.492 23.222 22.301 21.425 20.598 19.820 19.094 18.422 17.809 17.255 16.765 16.340 15.981 15.690 15.466 15.308 15.214 15.182 15.208 15.292 15.430 15.623 117.518 105.223 94.355 84.898 76.650 69.412 63.011 57.306 52.182 47.543 43.318 39.448 35.891 32.616 29.595 24.237 23.265 22.324 21.413 20.532 19.679 18.854 18.057 17.288 16.546 15.832 15.145 14.485 13.852 13.248 12.671 12.123 11.603 11.111 10.648 10.214 117.578 105.527 94.757 85.351 77.138 69.928 63.557 57.887 52.804 48.214 44.043 40.231 36.732 33.509 30.534 25.230 24.260 23.319 22.404 21.514 20.649 19.807 18.987 18.189 17.412 16.655 15.917 15.197 14.496 13.813 13.146 12.497 11.863 11.245 10.642 10.055 117.463 105.680 95.024 85.679 77.506 70.329 63.988 58.349 53.302 48.753 44.629 40.867 37.420 34.249 31.322 26.099 25.143 24.214 23.310 22.430 21.574 20.739 19.925 19.131 18.357 17.600 16.860 16.137 15.430 14.737 14.059 13.394 12.742 12.102 11.474 10.856 117.205 105.713 95.182 85.906 77.778 70.635 64.325 58.717 53.702 49.190 45.106 41.389 37.988 34.864 31.983 26.845 25.905 24.991 24.102 23.237 22.394 21.573 20.772 19.991 19.228 18.482 17.753 17.040 16.342 15.658 14.988 14.330 13.684 13.049 12.424 11.810 116.831 105.645 95.248 86.048 77.969 70.864 64.585 59.007 54.023 49.544 45.496 41.818 38.458 35.376 32.538 27.482 26.558 25.660 24.786 23.936 23.108 22.301 21.515 20.748 19.999 19.268 18.553 17.853 17.169 16.498 15.840 15.195 14.562 13.940 13.328 12.726 116.361 105.494 95.239 86.118 78.093 71.027 64.782 59.234 54.279 49.830 45.814 42.170 38.848 35.805 33.005 28.026 27.117 26.234 25.375 24.539 23.726 22.933 22.161 21.409 20.674 19.957 19.256 18.570 17.900 17.243 16.599 15.968 15.349 14.741 14.143 13.555 115.809 105.273 95.165 86.128 78.160 71.136 64.924 59.406 54.480 50.059 46.073 42.460 39.171 36.162 33.399 28.491 27.596 26.726 25.881 25.059 24.259 23.481 22.722 21.983 21.261 20.557 19.870 19.198 18.541 17.897 17.267 16.649 16.043 15.449 14.864 14.290 99999.999 104.993 95.035 86.086 78.176 71.196 65.020 59.532 54.634 50.241 46.282 42.698 39.439 36.461 33.730 28.888 28.005 27.149 26.316 25.507 24.720 23.954 23.208 22.481 21.772 21.080 20.405 19.745 19.100 18.469 17.852 17.246 16.653 16.070 15.499 14.937 bastnaesite-Ce Ce0.5La0.25Nd0.2Pr0.05CO3F P-T:All Wt.(g/mol) = 219.685 V(cc/mol) = 42.910 D(g/cc) = 5.120 Ref: Gysi15 7 -1.000 1 0.500 52 0.250 51 0.200 54 0.050 53 1.000 5 1.000 23 -29.961 -28.555 -27.522 -26.748 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-45.379 -45.490 -45.648 -46.090 -46.196 -46.307 -46.424 -46.546 -46.673 -46.804 -46.941 -47.082 -47.229 -47.380 -47.535 -47.696 -47.861 -48.031 -48.205 -48.385 -48.569 -48.758 -48.951 -49.150 99999.999 -50.541 -48.911 -47.701 -46.790 -46.105 -45.599 -45.232 -44.978 -44.817 -44.732 -44.713 -44.750 -44.837 -44.968 -45.348 -45.441 -45.538 -45.641 -45.749 -45.862 -45.979 -46.101 -46.228 -46.359 -46.495 -46.635 -46.779 -46.929 -47.082 -47.241 -47.404 -47.571 -47.743 -47.920 -48.102 apatite-Ce Ca4Ce(SiO4)(PO4)2OH P-T:All Wt.(g/mol) = 599.465 V(cc/mol) = 159.700 D(g/cc) = 3.754 Ref: Spear10 6 -7.000 1 4.000 9 1.000 52 1.000 7 2.000 27 1.000 2 78.775 69.562 61.393 54.147 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.775 69.562 61.393 54.147 47.659 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.780 69.566 61.397 54.151 47.663 41.786 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.790 69.575 61.405 54.158 47.670 41.794 36.404 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.806 69.589 61.419 54.172 47.683 41.807 36.418 31.410 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.831 69.612 61.441 54.192 47.704 41.828 36.439 31.433 26.720 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.869 69.647 61.473 54.224 47.735 41.859 36.472 31.468 26.757 22.247 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.923 69.696 61.519 54.268 47.779 41.904 36.518 31.517 26.811 22.309 17.902 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 78.997 69.763 61.583 54.330 47.839 41.965 36.581 31.584 26.885 22.393 18.004 13.591 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.096 69.853 61.668 54.411 47.920 42.046 36.665 31.674 26.983 22.504 18.137 13.763 9.241 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.224 69.970 61.778 54.517 48.024 42.151 36.774 31.790 27.109 22.647 18.309 13.983 9.537 4.806 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.386 70.119 61.918 54.653 48.158 42.286 36.913 31.936 27.269 22.827 18.523 14.256 9.905 5.299 0.136 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.511 70.233 62.026 54.757 48.260 42.389 37.019 32.049 27.391 22.964 18.686 14.460 10.178 5.674 0.498 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.687 70.395 62.178 54.904 48.405 42.535 37.170 32.208 27.562 23.156 18.911 14.743 10.554 6.194 1.195 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 79.860 70.554 62.329 55.049 48.548 42.679 37.318 32.363 27.730 23.343 19.130 15.013 10.909 6.685 1.917 3.929 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.030 70.711 62.477 55.193 48.689 42.820 37.463 32.516 27.894 23.525 19.340 15.272 11.245 7.146 2.612 0.032 0.593 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.197 70.865 62.624 55.334 48.828 42.960 37.606 32.665 28.055 23.703 19.544 15.519 11.562 7.577 3.263 -0.684 -1.212 -1.354 -1.474 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.361 71.017 62.768 55.473 48.965 43.097 37.746 32.813 28.212 23.876 19.742 15.756 11.861 7.979 3.864 -0.798 -1.680 -2.365 -2.856 -3.345 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.522 71.167 62.910 55.610 49.100 43.232 37.885 32.957 28.366 24.044 19.933 15.983 12.144 8.352 4.413 -0.715 -1.744 -2.663 -3.456 -4.147 -4.850 -5.783 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.681 71.315 63.050 55.746 49.233 43.365 38.021 33.099 28.518 24.209 20.119 16.200 12.411 8.697 4.911 -0.548 -1.649 -2.681 -3.631 -4.499 -5.310 -6.138 -7.098 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-0.815 -1.965 -3.088 -4.183 -5.248 -6.284 -7.292 -8.276 -9.246 -10.211 -11.184 -12.174 -13.185 -14.212 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.436 72.024 63.725 56.398 49.873 44.005 38.672 33.776 29.234 24.982 20.972 17.167 13.540 10.068 6.725 0.599 -0.577 -1.731 -2.862 -3.969 -5.052 -6.108 -7.140 -8.148 -9.135 -10.106 -11.068 -12.026 -12.983 -13.940 -14.891 99999.999 99999.999 99999.999 99999.999 99999.999 81.580 72.160 63.855 56.524 49.997 44.128 38.797 33.905 29.370 25.128 21.130 17.340 13.732 10.286 6.981 0.836 -0.338 -1.493 -2.627 -3.741 -4.833 -5.903 -6.951 -7.975 -8.979 -9.962 -10.929 -11.880 -12.820 -13.746 -14.659 -15.552 -16.418 99999.999 99999.999 99999.999 81.721 72.294 63.983 56.648 50.119 44.250 38.921 34.032 29.504 25.271 21.284 17.508 13.917 10.491 7.212 1.071 -0.101 -1.254 -2.389 -3.506 -4.603 -5.680 -6.737 -7.774 -8.790 -9.785 -10.761 -11.717 -12.655 -13.574 -14.472 -15.346 -16.193 -17.004 99999.999 99999.999 81.861 72.427 64.110 56.771 50.239 44.370 39.042 34.158 29.635 25.411 21.435 17.672 14.095 10.685 7.426 1.302 0.134 -1.017 -2.150 -3.267 -4.365 -5.446 -6.509 -7.553 -8.578 -9.583 -10.567 -11.532 -12.475 -13.396 -14.294 -15.165 -16.007 -16.815 -17.583 -18.306 81.998 72.557 64.236 56.892 50.358 44.488 39.162 34.281 29.765 25.549 21.583 17.832 14.268 10.872 7.628 1.530 0.366 -0.782 -1.912 -3.027 -4.125 -5.207 -6.272 -7.320 -8.350 -9.362 -10.354 -11.326 -12.277 -13.204 -14.108 -14.984 -15.831 -16.645 -17.422 -18.156 83.266 73.783 65.416 58.037 51.481 45.605 40.289 35.436 30.966 26.816 22.934 19.280 15.825 12.546 9.423 3.578 2.464 1.366 0.282 -0.787 -1.843 -2.886 -3.917 -4.936 -5.944 -6.940 -7.926 -8.899 -9.862 -10.812 -11.749 -12.673 -13.582 -14.477 -15.355 -16.216 84.371 74.881 66.483 59.076 52.501 46.616 41.303 36.467 32.029 27.925 24.102 20.519 17.144 13.953 10.923 5.280 4.209 3.154 2.116 1.092 0.083 -0.914 -1.897 -2.869 -3.830 -4.780 -5.720 -6.651 -7.572 -8.483 -9.387 -10.281 -11.167 -12.044 -12.913 -13.774 85.348 75.876 67.461 60.032 53.439 47.544 42.231 37.405 32.988 28.916 25.137 21.608 18.295 15.171 12.215 6.731 5.694 4.674 3.671 2.684 1.712 0.754 -0.191 -1.123 -2.044 -2.954 -3.853 -4.742 -5.621 -6.492 -7.355 -8.210 -9.057 -9.897 -10.730 -11.556 86.222 76.787 68.364 60.919 54.311 48.407 43.090 38.269 33.866 29.818 26.071 22.583 19.318 16.249 13.351 7.995 6.985 5.993 5.019 4.061 3.119 2.191 1.277 0.377 -0.511 -1.388 -2.253 -3.108 -3.953 -4.789 -5.617 -6.436 -7.248 -8.052 -8.849 -9.641 87.012 77.631 69.206 61.748 55.128 49.214 43.894 39.074 34.680 30.648 26.926 23.469 20.243 17.216 14.366 9.115 8.127 7.158 6.207 5.273 4.355 3.452 2.564 1.689 0.827 -0.023 -0.861 -1.688 -2.505 -3.313 -4.111 -4.901 -5.683 -6.457 -7.224 -7.985 87.734 78.418 69.997 62.530 55.899 49.975 44.650 39.830 35.442 31.421 27.717 24.284 21.088 18.097 15.285 10.120 9.151 8.201 7.269 6.355 5.457 4.574 3.706 2.852 2.012 1.184 0.368 -0.437 -1.231 -2.015 -2.789 -3.555 -4.313 -5.062 -5.804 -6.540 88.399 79.159 70.745 63.271 56.630 50.698 45.367 40.546 36.160 32.147 28.455 25.042 21.869 18.906 16.126 11.033 10.080 9.145 8.229 7.331 6.449 5.584 4.733 3.897 3.074 2.264 1.466 0.680 -0.095 -0.860 -1.615 -2.362 -3.099 -3.829 -4.550 -5.265 99999.999 79.862 71.457 63.976 57.327 51.387 46.050 41.226 36.841 32.833 29.151 25.751 22.596 19.656 16.902 11.869 10.929 10.008 9.105 8.221 7.353 6.501 5.665 4.843 4.035 3.240 2.457 1.686 0.927 0.177 -0.562 -1.292 -2.013 -2.726 -3.432 -4.129 apatite-Ce-F Ca4Ce(SiO4)(PO4)2F P-T:All Wt.(g/mol) = 601.456 V(cc/mol) = 157.660 D(g/cc) = 3.815 Ref: S&P2010 6 -6.000 1 4.000 9 1.000 52 1.000 7 2.000 27 1.000 23 -7.311 -9.511 -11.811 -14.077 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -7.311 -9.511 -11.811 -14.077 -16.289 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-37.421 -37.970 -38.520 -39.070 -39.622 -40.174 -40.727 1.769 -0.622 -3.197 -5.681 -8.022 -10.216 -12.275 -14.214 -16.047 -17.790 -19.454 -21.054 -22.598 -24.094 -25.549 -28.352 -28.897 -29.439 -29.977 -30.511 -31.042 -31.569 -32.095 -32.617 -33.138 -33.657 -34.175 -34.691 -35.207 -35.722 -36.237 -36.752 -37.267 -37.782 -38.298 -38.814 2.574 0.255 -2.314 -4.808 -7.160 -9.362 -11.425 -13.363 -15.188 -16.916 -18.560 -20.130 -21.639 -23.094 -24.503 -27.205 -27.729 -28.249 -28.764 -29.275 -29.782 -30.286 -30.787 -31.285 -31.781 -32.274 -32.766 -33.256 -33.744 -34.232 -34.719 -35.205 -35.692 -36.178 -36.664 -37.151 3.317 1.082 -1.479 -3.980 -6.340 -8.551 -10.619 -12.557 -14.378 -16.096 -17.723 -19.272 -20.752 -22.174 -23.546 -26.164 -26.670 -27.171 -27.668 -28.160 -28.648 -29.132 -29.613 -30.091 -30.566 -31.038 -31.508 -31.976 -32.443 -32.908 -33.372 -33.836 -34.299 -34.761 -35.224 -35.687 99999.999 1.867 -0.683 -3.189 -5.558 -7.776 -9.850 -11.789 -13.608 -15.319 -16.934 -18.466 -19.925 -21.321 -22.662 -25.210 -25.701 -26.187 -26.668 -27.144 -27.616 -28.084 -28.548 -29.008 -29.466 -29.921 -30.373 -30.824 -31.272 -31.719 -32.165 -32.610 -33.053 -33.497 -33.940 -34.384 apatite-Y-F Ca4Y(SiO4)(PO4)2F P-T:All Wt.(g/mol) = 550.242 V(cc/mol) = 156.230 D(g/cc) = 3.522 Ref: S&P2010 6 -6.000 1 4.000 9 1.000 50 1.000 7 2.000 27 1.000 23 -6.868 -9.338 -11.816 -14.199 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -6.868 -9.338 -11.816 -14.199 -16.486 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 -4.729 -7.378 -9.962 -12.403 -14.709 -16.904 -19.018 -21.080 -23.115 -25.145 -27.187 -29.256 -31.365 -33.539 -35.886 -39.212 -39.944 -40.644 -41.305 -41.923 -42.506 -43.078 -43.690 -44.414 -45.317 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.570 -7.230 -9.821 -12.266 -14.574 -16.768 -18.879 -20.933 -22.958 -24.973 -26.995 -29.034 -31.099 -33.208 -35.431 -38.940 -39.689 -40.418 -41.122 -41.799 -42.448 -43.076 -43.703 -44.362 -45.091 -45.928 -46.893 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.414 -7.084 -9.681 -12.131 -14.441 -16.634 -18.741 -20.789 -22.804 -24.806 -26.808 -28.821 -30.849 -32.902 -35.025 -38.661 -39.417 -40.161 -40.889 -41.598 -42.288 -42.959 -43.619 -44.280 -44.963 -45.689 -46.478 -47.338 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.261 -6.940 -9.544 -11.998 -14.309 -16.502 -18.605 -20.647 -22.652 -24.641 -26.627 -28.616 -30.612 -32.619 -34.664 -38.380 -39.138 -39.888 -40.628 -41.356 -42.069 -42.769 -43.455 -44.135 -44.815 -45.508 -46.225 -46.975 -47.759 -48.572 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.109 -6.798 -9.408 -11.866 -14.179 -16.371 -18.471 -20.507 -22.504 -24.480 -26.450 -28.418 -30.387 -32.357 -34.342 -38.101 -38.858 -39.609 -40.354 -41.090 -41.817 -42.534 -43.240 -43.936 -44.626 -45.316 -46.009 -46.712 -47.427 -48.153 -48.882 99999.999 99999.999 99999.999 99999.999 99999.999 -3.961 -6.658 -9.274 -11.736 -14.050 -16.242 -18.339 -20.369 -22.358 -24.323 -26.277 -28.227 -30.173 -32.113 -34.054 -37.825 -38.579 -39.328 -40.074 -40.813 -41.547 -42.273 -42.990 -43.699 -44.400 -45.095 -45.785 -46.472 -47.159 -47.843 -48.522 -49.188 -49.831 99999.999 99999.999 99999.999 -3.814 -6.519 -9.141 -11.607 -13.923 -16.115 -18.209 -20.234 -22.214 -24.168 -26.109 -28.042 -29.967 -31.884 -33.793 -37.554 -38.302 -39.048 -39.792 -40.531 -41.266 -41.996 -42.720 -43.437 -44.146 -44.847 -45.541 -46.226 -46.904 -47.572 -48.228 -48.868 -49.485 -50.070 99999.999 99999.999 -3.670 -6.383 -9.011 -11.480 -13.798 -15.989 -18.080 -20.100 -22.072 -24.016 -25.944 -27.862 -29.770 -31.667 -33.552 -37.287 -38.030 -38.771 -39.511 -40.248 -40.982 -41.713 -42.439 -43.159 -43.873 -44.579 -45.277 -45.966 -46.643 -47.308 -47.958 -48.589 -49.196 -49.773 -50.314 -50.810 -3.528 -6.248 -8.881 -11.354 -13.674 -15.864 -17.953 -19.968 -21.933 -23.867 -25.782 -27.686 -29.578 -31.458 -33.325 -37.026 -37.763 -38.498 -39.233 -39.966 -40.697 -41.425 -42.151 -42.872 -43.588 -44.298 -44.999 -45.691 -46.372 -47.039 -47.690 -48.321 -48.929 -49.509 -50.055 -50.562 -2.221 -4.986 -7.663 -10.168 -12.504 -14.694 -16.764 -18.740 -20.644 -22.496 -24.310 -26.096 -27.856 -29.595 -31.311 -34.695 -35.367 -36.037 -36.707 -37.378 -38.048 -38.718 -39.389 -40.060 -40.732 -41.404 -42.075 -42.745 -43.413 -44.078 -44.740 -45.397 -46.047 -46.690 -47.324 -47.947 -1.087 -3.858 -6.563 -9.092 -11.442 -13.635 -15.694 -17.644 -19.507 -21.300 -23.041 -24.740 -26.403 -28.036 -29.640 -32.777 -33.395 -34.012 -34.626 -35.240 -35.852 -36.464 -37.076 -37.687 -38.299 -38.910 -39.523 -40.135 -40.748 -41.362 -41.976 -42.589 -43.203 -43.816 -44.429 -45.040 -0.090 -2.838 -5.557 -8.103 -10.466 -12.663 -14.717 -16.649 -18.482 -20.234 -21.919 -23.552 -25.141 -26.691 -28.206 -31.150 -31.728 -32.302 -32.873 -33.442 -34.009 -34.574 -35.138 -35.701 -36.264 -36.826 -37.387 -37.949 -38.511 -39.074 -39.637 -40.201 -40.766 -41.332 -41.899 -42.467 0.798 -1.906 -4.628 -7.186 -9.560 -11.761 -13.812 -15.734 -17.546 -19.266 -20.910 -22.491 -24.020 -25.505 -26.950 -29.739 -30.283 -30.823 -31.360 -31.894 -32.425 -32.953 -33.480 -34.004 -34.527 -35.049 -35.571 -36.091 -36.612 -37.132 -37.653 -38.174 -38.696 -39.218 -39.742 -40.267 1.598 -1.045 -3.763 -6.330 -8.711 -10.918 -12.968 -14.882 -16.679 -18.376 -19.988 -21.529 -23.011 -24.442 -25.829 -28.492 -29.009 -29.522 -30.031 -30.536 -31.038 -31.537 -32.033 -32.526 -33.018 -33.508 -33.996 -34.484 -34.970 -35.456 -35.942 -36.428 -36.914 -37.401 -37.888 -38.376 2.325 -0.243 -2.952 -5.524 -7.912 -10.123 -12.174 -14.083 -15.869 -17.549 -19.137 -20.647 -22.091 -23.479 -24.818 -27.375 -27.870 -28.361 -28.846 -29.328 -29.806 -30.280 -30.751 -31.219 -31.685 -32.149 -32.611 -33.071 -33.530 -33.988 -34.446 -34.903 -35.360 -35.817 -36.274 -36.732 2.991 0.509 -2.187 -4.761 -7.154 -9.370 -11.422 -13.328 -15.107 -16.774 -18.343 -19.829 -21.242 -22.595 -23.895 -26.364 -26.841 -27.312 -27.778 -28.240 -28.698 -29.152 -29.602 -30.050 -30.494 -30.936 -31.376 -31.815 -32.251 -32.686 -33.121 -33.554 -33.988 -34.421 -34.854 -35.287 99999.999 1.221 -1.460 -4.036 -6.433 -8.652 -10.707 -12.612 -14.385 -16.042 -17.597 -19.064 -20.453 -21.777 -23.045 -25.441 -25.901 -26.356 -26.806 -27.252 -27.693 -28.129 -28.563 -28.993 -29.420 -29.844 -30.265 -30.685 -31.103 -31.519 -31.935 -32.349 -32.763 -33.176 -33.590 -34.003 monazite-Y YPO4 P-T:All Wt.(g/mol) = 183.877 V(cc/mol) = 43.000 D(g/cc) = 4.276 Ref: S&P2010 3 -1.000 1 1.000 50 1.000 27 -16.843 -17.061 -17.386 -17.766 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -16.843 -17.061 -17.386 -17.766 -18.186 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -16.841 -17.059 -17.384 -17.764 -18.184 -18.639 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -16.570 -16.811 -17.149 -17.536 -17.958 -18.409 -18.891 -19.406 -19.960 -20.560 -21.221 -21.966 -22.826 -23.859 -25.242 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -16.503 -16.750 -17.091 -17.480 -17.902 -18.353 -18.832 -19.344 -19.892 -20.483 -21.130 -21.851 -22.672 -23.646 -24.955 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -16.438 -16.689 -17.034 -17.425 -17.847 -18.297 -18.775 -19.283 -19.825 -20.408 -21.042 -21.741 -22.527 -23.443 -24.656 -22.325 99999.999 99999.999 99999.999 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-16.116 -16.489 -16.897 -17.327 -17.774 -18.237 -18.719 -19.221 -19.746 -20.293 -20.861 -21.446 -22.048 -22.667 -23.853 -24.095 -24.335 -24.573 -24.808 -25.038 -25.264 -25.484 -25.700 -25.911 -26.119 -26.327 -26.535 -26.746 -26.958 -27.170 99999.999 99999.999 99999.999 99999.999 99999.999 -15.762 -16.061 -16.437 -16.847 -17.278 -17.724 -18.187 -18.667 -19.166 -19.687 -20.228 -20.789 -21.367 -21.958 -22.561 -23.754 -23.996 -24.237 -24.476 -24.713 -24.948 -25.180 -25.408 -25.631 -25.851 -26.066 -26.278 -26.488 -26.695 -26.899 -27.100 -27.295 -27.480 99999.999 99999.999 99999.999 -15.705 -16.007 -16.386 -16.797 -17.228 -17.675 -18.137 -18.615 -19.111 -19.628 -20.165 -20.720 -21.290 -21.873 -22.465 -23.657 -23.897 -24.137 -24.377 -24.616 -24.853 -25.088 -25.320 -25.550 -25.775 -25.997 -26.215 -26.428 -26.637 -26.842 -27.041 -27.232 -27.414 -27.583 99999.999 99999.999 -15.648 -15.954 -16.334 -16.748 -17.180 -17.627 -18.087 -18.564 -19.058 -19.571 -20.103 -20.653 -21.217 -21.792 -22.376 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-18.609 -19.007 -19.792 -19.947 -20.102 -20.257 -20.412 -20.567 -20.721 -20.876 -21.030 -21.185 -21.340 -21.495 -21.651 -21.807 -21.963 -22.120 -22.278 -22.436 -22.596 -22.756 -22.917 -12.491 -12.843 -13.325 -13.830 -14.331 -14.820 -15.295 -15.753 -16.197 -16.628 -17.046 -17.453 -17.851 -18.242 -18.628 -19.384 -19.533 -19.682 -19.831 -19.979 -20.127 -20.275 -20.422 -20.570 -20.717 -20.865 -21.013 -21.161 -21.309 -21.458 -21.607 -21.756 -21.907 -22.058 -22.209 -22.362 99999.999 -12.468 -12.960 -13.477 -13.987 -14.484 -14.965 -15.428 -15.874 -16.304 -16.720 -17.123 -17.515 -17.898 -18.273 -19.006 -19.151 -19.294 -19.438 -19.580 -19.723 -19.865 -20.007 -20.148 -20.290 -20.432 -20.573 -20.715 -20.857 -20.999 -21.142 -21.285 -21.429 -21.573 -21.718 -21.864 monazite-La LaPO4 P-T:All Wt.(g/mol) = 233.876 V(cc/mol) = 47.293 D(g/cc) = 4.945 Ref: MGC2016 3 -1.000 1 1.000 27 1.000 51 -12.400 -12.827 -13.363 -13.948 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.388 -12.815 -13.352 -13.938 -14.553 -15.192 -15.857 -16.551 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.378 -12.806 -13.344 -13.929 -14.544 -15.184 -15.848 -16.541 -17.271 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.362 -12.792 -13.330 -13.916 -14.532 -15.171 -15.835 -16.527 -17.255 -18.032 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.340 -12.771 -13.311 -13.898 -14.513 -15.152 -15.815 -16.507 -17.233 -18.007 -18.854 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.309 -12.743 -13.284 -13.872 -14.488 -15.127 -15.789 -16.479 -17.203 -17.973 -18.812 -19.757 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.268 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-12.615 -13.040 -13.567 -14.139 -14.738 -15.354 -15.987 -16.638 -17.308 -18.000 -18.716 -19.457 -20.226 -21.031 -21.908 -23.237 -23.534 -23.825 -24.107 -24.380 -24.647 -24.918 -25.209 -25.544 -25.944 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.543 -12.974 -13.505 -14.080 -14.679 -15.296 -15.929 -16.577 -17.245 -17.932 -18.641 -19.372 -20.126 -20.908 -21.742 -23.127 -23.428 -23.725 -24.018 -24.305 -24.587 -24.868 -25.153 -25.454 -25.784 -26.154 -26.569 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.472 -12.909 -13.443 -14.021 -14.622 -15.239 -15.871 -16.518 -17.182 -17.865 -18.568 -19.290 -20.032 -20.794 -21.593 -23.017 -23.318 -23.618 -23.916 -24.210 -24.501 -24.790 -25.079 -25.373 -25.678 -26.002 -26.349 -26.721 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.402 -12.844 -13.382 -13.962 -14.565 -15.183 -15.814 -16.459 -17.121 -17.800 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SmPO4 P-T:All Wt.(g/mol) = 245.331 V(cc/mol) = 44.105 D(g/cc) = 5.562 Ref: MGC2016 3 -1.000 1 1.000 27 1.000 56 -13.402 -13.777 -14.280 -14.844 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -13.402 -13.777 -14.280 -14.844 -15.447 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -13.400 -13.775 -14.278 -14.842 -15.445 -16.080 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-15.222 -15.948 -16.680 -17.421 -18.177 -18.952 -19.750 -20.576 -21.442 -22.400 -23.634 -23.911 -24.168 -24.401 -24.609 -24.803 -25.010 -25.274 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.623 -12.274 -12.988 -13.715 -14.442 -15.166 -15.891 -16.620 -17.358 -18.109 -18.876 -19.662 -20.470 -21.308 -22.213 -23.540 -23.830 -24.108 -24.372 -24.619 -24.852 -25.079 -25.317 -25.591 -25.926 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.557 -12.212 -12.929 -13.658 -14.386 -15.110 -15.834 -16.561 -17.296 -18.042 -18.802 -19.577 -20.370 -21.185 -22.045 -23.439 -23.736 -24.025 -24.305 -24.575 -24.834 -25.084 -25.332 -25.589 -25.868 -26.184 -26.542 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.491 -12.151 -12.871 -13.601 -14.330 -15.055 -15.778 -16.503 -17.234 -17.976 -18.729 -19.496 -20.275 -21.070 -21.895 -23.335 -23.635 -23.930 -24.219 -24.502 -24.776 -25.044 -25.306 -25.568 -25.835 -26.116 -26.417 -26.742 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.426 -12.090 -12.812 -13.545 -14.275 -15.000 -15.723 -16.446 -17.174 -17.911 -18.659 -19.417 -20.185 -20.964 -21.761 -23.231 -23.531 -23.829 -24.123 -24.413 -24.697 -24.976 -25.249 -25.520 -25.789 -26.061 -26.341 -26.630 -26.930 -27.239 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.361 -12.029 -12.755 -13.490 -14.221 -14.946 -15.668 -16.389 -17.114 -17.847 -18.589 -19.341 -20.099 -20.865 -21.641 -23.127 -23.427 -23.725 -24.022 -24.315 -24.604 -24.890 -25.172 -25.449 -25.724 -25.997 -26.271 -26.547 -26.826 -27.107 -27.388 99999.999 99999.999 99999.999 99999.999 99999.999 -11.297 -11.969 -12.698 -13.435 -14.167 -14.892 -15.613 -16.333 -17.056 -17.785 -18.522 -19.267 -20.017 -20.773 -21.533 -23.024 -23.323 -23.621 -23.918 -24.212 -24.505 -24.794 -25.081 -25.364 -25.644 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-20.763 -20.950 -21.136 -21.323 -21.509 -21.695 -21.881 xenotime-Er ErPO4 P-T:All Wt.(g/mol) = 262.231 V(cc/mol) = 42.373 D(g/cc) = 6.189 Ref: MGC2016 3 -1.000 1 1.000 27 1.000 62 -12.210 -12.807 -13.483 -14.185 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.210 -12.807 -13.483 -14.185 -14.899 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.208 -12.805 -13.481 -14.183 -14.897 -15.622 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-20.911 99999.999 -8.472 -9.278 -10.063 -10.806 -11.505 -12.163 -12.784 -13.370 -13.926 -14.455 -14.960 -15.445 -15.911 -16.362 -17.226 -17.394 -17.560 -17.725 -17.888 -18.051 -18.212 -18.372 -18.532 -18.691 -18.849 -19.006 -19.163 -19.319 -19.476 -19.632 -19.788 -19.944 -20.100 -20.256 -20.412 alite Ca3SiO5 P-T:All Wt.(g/mol) = 228.320 V(cc/mol) = 73.000 D(g/cc) = 3.128 Ref: MA07 4 -6.000 1 3.000 9 1.000 7 1.000 2 80.749 73.670 67.634 62.451 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.749 73.670 67.634 62.451 57.955 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.751 73.671 67.635 62.452 57.956 54.016 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.753 73.674 67.637 62.454 57.959 54.018 50.528 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.758 73.678 67.641 62.458 57.962 54.022 50.532 47.410 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.765 73.685 67.648 62.464 57.968 54.028 50.539 47.417 44.596 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.776 73.695 67.657 62.473 57.977 54.037 50.548 47.427 44.607 42.030 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.791 73.709 67.670 62.486 57.990 54.050 50.561 47.440 44.622 42.047 39.661 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.812 73.728 67.689 62.504 58.008 54.067 50.579 47.459 44.642 42.069 39.688 37.447 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.839 73.754 67.713 62.527 58.031 54.091 50.603 47.484 44.669 42.100 39.723 37.491 35.361 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.874 73.787 67.745 62.558 58.060 54.121 50.634 47.517 44.704 42.138 39.769 37.547 35.432 33.409 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.918 73.828 67.784 62.596 58.098 54.158 50.672 47.557 44.747 42.187 39.825 37.617 35.521 33.505 31.635 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.952 73.860 67.814 62.625 58.127 54.187 50.702 47.588 44.781 42.223 39.868 37.670 35.589 33.587 31.607 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 80.998 73.904 67.856 62.666 58.167 54.227 50.743 47.632 44.827 42.275 39.928 37.743 35.684 33.707 31.708 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.043 73.947 67.897 62.706 58.206 54.267 50.783 47.674 44.872 42.324 39.985 37.814 35.774 33.826 31.857 34.078 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.086 73.988 67.937 62.744 58.244 54.305 50.823 47.715 44.916 42.373 40.040 37.881 35.860 33.940 32.017 31.285 32.081 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.128 74.028 67.976 62.782 58.281 54.342 50.861 47.755 44.958 42.419 40.093 37.945 35.941 34.048 32.175 30.633 30.655 31.005 31.627 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.168 74.067 68.013 62.819 58.318 54.379 50.898 47.793 45.000 42.464 40.145 38.006 36.018 34.150 32.325 30.371 30.144 30.076 30.203 30.484 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.206 74.105 68.050 62.854 58.353 54.414 50.934 47.831 45.040 42.508 40.194 38.064 36.090 34.244 32.464 30.248 29.909 29.663 29.533 29.527 29.618 29.723 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.244 74.141 68.085 62.889 58.387 54.448 50.969 47.868 45.079 42.551 40.242 38.120 36.158 34.331 32.590 30.191 29.791 29.454 29.192 29.016 28.926 28.901 28.895 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.280 74.177 68.120 62.923 58.420 54.482 51.004 47.904 45.117 42.592 40.288 38.173 36.221 34.411 32.703 30.170 29.733 29.342 29.006 28.731 28.521 28.374 28.274 28.195 28.104 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.314 74.211 68.153 62.956 58.453 54.515 51.037 47.939 45.154 42.632 40.332 38.223 36.281 34.484 32.803 30.170 29.709 29.285 28.902 28.566 28.281 28.046 27.860 27.710 27.581 27.453 27.310 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.347 74.245 68.186 62.988 58.485 54.547 51.070 47.973 45.190 42.671 40.375 38.271 36.337 34.551 32.892 30.183 29.706 29.259 28.847 28.471 28.135 27.841 27.589 27.375 27.192 27.029 26.874 26.718 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.380 74.277 68.218 63.019 58.516 54.578 51.102 48.006 45.226 42.709 40.417 38.318 36.389 34.612 32.969 30.206 29.717 29.255 28.821 28.419 28.049 27.714 27.414 27.149 26.916 26.709 26.523 26.349 26.182 26.017 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.410 74.308 68.249 63.049 58.546 54.608 51.133 48.039 45.260 42.746 40.457 38.362 36.438 34.668 33.036 30.235 29.737 29.264 28.816 28.394 28.000 27.636 27.302 26.998 26.724 26.478 26.256 26.053 25.866 25.690 25.524 99999.999 99999.999 99999.999 99999.999 99999.999 81.440 74.339 68.279 63.079 58.575 54.638 51.163 48.070 45.293 42.782 40.496 38.404 36.485 34.720 33.095 30.268 29.764 29.282 28.823 28.388 27.976 27.591 27.231 26.899 26.594 26.314 26.060 25.827 25.614 25.417 25.235 25.066 24.910 99999.999 99999.999 99999.999 81.469 74.368 68.308 63.108 58.604 54.667 51.193 48.101 45.326 42.817 40.533 38.445 36.529 34.768 33.147 30.304 29.796 29.308 28.840 28.394 27.970 27.569 27.191 26.837 26.507 26.201 25.918 25.658 25.419 25.198 24.995 24.809 24.637 24.482 99999.999 99999.999 81.496 74.397 68.336 63.136 58.632 54.695 51.222 48.131 45.358 42.851 40.570 38.485 36.572 34.813 33.194 30.342 29.830 29.337 28.864 28.410 27.977 27.563 27.171 26.800 26.451 26.124 25.819 25.535 25.272 25.029 24.804 24.597 24.407 24.233 24.076 23.937 81.523 74.424 68.364 63.163 58.660 54.723 51.250 48.161 45.389 42.884 40.606 38.523 36.612 34.856 33.238 30.382 29.867 29.371 28.892 28.433 27.992 27.570 27.166 26.783 26.419 26.076 25.752 25.449 25.165 24.900 24.655 24.427 24.217 24.025 23.849 23.691 81.733 74.658 68.602 63.402 58.900 54.966 51.500 48.420 45.663 43.177 40.921 38.861 36.974 35.238 33.638 30.786 30.265 29.759 29.268 28.791 28.327 27.876 27.437 27.011 26.597 26.194 25.803 25.423 25.055 24.697 24.351 24.015 23.691 23.377 23.075 22.783 81.861 74.824 68.782 63.587 59.089 55.159 51.699 48.629 45.883 43.412 41.173 39.133 37.266 35.550 33.968 31.148 30.632 30.130 29.643 29.168 28.706 28.255 27.817 27.389 26.972 26.565 26.167 25.779 25.400 25.030 24.668 24.314 23.968 23.630 23.299 22.976 81.924 74.938 68.915 63.730 59.237 55.314 51.860 48.797 46.062 43.603 41.378 39.355 37.505 35.808 34.243 31.456 30.946 30.451 29.969 29.500 29.044 28.599 28.165 27.742 27.330 26.927 26.533 26.148 25.772 25.404 25.044 24.691 24.345 24.006 23.673 23.346 81.935 75.009 69.010 63.838 59.354 55.437 51.990 48.934 46.208 43.759 41.547 39.538 37.703 36.021 34.473 31.717 31.214 30.725 30.249 29.786 29.335 28.897 28.469 28.052 27.645 27.248 26.860 26.481 26.110 25.747 25.392 25.044 24.703 24.369 24.041 23.718 81.903 75.045 69.074 63.917 59.443 55.534 52.094 49.046 46.328 43.888 41.687 39.690 37.868 36.200 34.666 31.940 31.442 30.958 30.488 30.031 29.586 29.153 28.731 28.320 27.919 27.527 27.145 26.772 26.407 26.050 25.701 25.358 25.023 24.694 24.372 24.056 81.836 75.052 69.112 63.972 59.510 55.609 52.177 49.136 46.426 43.995 41.803 39.816 38.007 36.351 34.830 32.129 31.637 31.158 30.694 30.242 29.802 29.374 28.957 28.551 28.156 27.770 27.393 27.025 26.665 26.314 25.970 25.633 25.303 24.980 24.663 24.353 81.739 75.034 69.128 64.007 59.557 55.666 52.242 49.209 46.506 44.083 41.900 39.922 38.123 36.478 34.968 32.291 31.804 31.330 30.870 30.423 29.988 29.565 29.153 28.752 28.361 27.979 27.607 27.244 26.890 26.543 26.204 25.872 25.548 25.229 24.918 24.612 99999.999 74.995 69.125 64.024 59.588 55.708 52.292 49.266 46.571 44.155 41.980 40.011 38.221 36.586 35.086 32.430 31.947 31.478 31.022 30.579 30.149 29.730 29.322 28.925 28.539 28.162 27.794 27.435 27.085 26.742 26.408 26.081 25.760 25.447 25.139 24.838 belite Ca2SiO4 P-T:All Wt.(g/mol) = 172.240 V(cc/mol) = 52.000 D(g/cc) = 3.312 Ref: MA07 3 -4.000 1 2.000 9 1.000 7 42.590 38.829 35.599 32.818 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.590 38.829 35.599 32.818 30.403 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.591 38.830 35.600 32.819 30.404 28.286 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.593 38.832 35.601 32.820 30.406 28.288 26.410 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.595 38.834 35.604 32.823 30.408 28.290 26.413 24.731 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.600 38.839 35.608 32.827 30.412 28.294 26.417 24.735 23.212 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.606 38.845 35.614 32.833 30.418 28.300 26.423 24.742 23.219 21.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.615 38.854 35.623 32.841 30.427 28.309 26.432 24.751 23.229 21.834 20.534 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.628 38.866 35.635 32.853 30.438 28.321 26.444 24.764 23.243 21.850 20.552 19.321 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.644 38.882 35.650 32.868 30.453 28.336 26.460 24.781 23.262 21.871 20.577 19.351 18.169 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.665 38.902 35.670 32.888 30.473 28.356 26.481 24.803 23.286 21.897 20.608 19.390 18.219 17.084 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.690 38.928 35.695 32.913 30.498 28.381 26.507 24.831 23.315 21.930 20.647 19.439 18.281 17.152 16.093 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.709 38.947 35.714 32.931 30.516 28.400 26.527 24.851 23.338 21.956 20.677 19.476 18.328 17.210 16.081 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.736 38.974 35.740 32.957 30.542 28.427 26.554 24.880 23.369 21.991 20.718 19.526 18.393 17.294 16.156 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.761 38.999 35.765 32.982 30.567 28.452 26.581 24.909 23.400 22.025 20.757 19.575 18.456 17.376 16.261 18.014 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.785 39.023 35.790 33.006 30.592 28.477 26.607 24.936 23.429 22.057 20.795 19.621 18.515 17.455 16.372 16.206 16.775 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.807 39.047 35.813 33.030 30.615 28.501 26.631 24.962 23.458 22.089 20.831 19.665 18.571 17.529 16.481 15.788 15.856 16.133 16.581 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.828 39.069 35.836 33.052 30.638 28.524 26.656 24.988 23.485 22.119 20.866 19.706 18.623 17.599 16.584 15.625 15.531 15.538 15.669 15.895 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.849 39.091 35.857 33.074 30.660 28.547 26.679 25.012 23.512 22.148 20.899 19.746 18.673 17.664 16.679 15.551 15.384 15.277 15.242 15.285 15.388 15.495 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.868 39.111 35.878 33.095 30.681 28.568 26.702 25.036 23.538 22.177 20.932 19.784 18.719 17.724 16.766 15.519 15.313 15.147 15.027 14.961 14.948 14.975 15.011 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.886 39.131 35.898 33.115 30.702 28.589 26.723 25.060 23.563 22.204 20.962 19.820 18.763 17.779 16.844 15.509 15.281 15.080 14.913 14.783 14.694 14.643 14.620 14.608 14.586 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.902 39.150 35.918 33.135 30.721 28.610 26.745 25.082 23.587 22.231 20.992 19.854 18.803 17.829 16.913 15.514 15.270 15.048 14.851 14.683 14.545 14.438 14.361 14.305 14.260 14.214 14.156 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.918 39.168 35.936 33.154 30.741 28.629 26.765 25.104 23.610 22.257 21.021 19.887 18.841 17.875 16.973 15.527 15.272 15.036 14.821 14.627 14.457 14.312 14.193 14.097 14.018 13.951 13.888 13.821 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.933 39.185 35.954 33.172 30.759 28.648 26.785 25.125 23.633 22.282 21.048 19.918 18.877 17.917 17.026 15.545 15.284 15.038 14.809 14.598 14.406 14.236 14.086 13.958 13.848 13.754 13.671 13.595 13.522 13.449 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.947 39.201 35.971 33.189 30.777 28.667 26.804 25.146 23.655 22.306 21.075 19.947 18.910 17.955 17.073 15.567 15.301 15.048 14.810 14.587 14.380 14.191 14.020 13.867 13.731 13.612 13.507 13.414 13.329 13.250 13.176 99999.999 99999.999 99999.999 99999.999 99999.999 42.960 39.217 35.987 33.206 30.794 28.685 26.823 25.166 23.677 22.329 21.101 19.976 18.942 17.990 17.113 15.592 15.322 15.064 14.819 14.587 14.370 14.167 13.980 13.809 13.654 13.514 13.388 13.276 13.175 13.083 13.000 12.924 12.856 99999.999 99999.999 99999.999 42.972 39.231 36.003 33.222 30.811 28.702 26.841 25.185 23.698 22.352 21.125 20.003 18.972 18.023 17.149 15.619 15.345 15.084 14.834 14.596 14.370 14.158 13.959 13.774 13.603 13.447 13.304 13.174 13.057 12.951 12.855 12.768 12.691 12.623 99999.999 99999.999 42.983 39.245 36.018 33.238 30.827 28.719 26.859 25.203 23.718 22.374 21.150 20.029 19.000 18.053 17.181 15.646 15.371 15.106 14.853 14.610 14.378 14.159 13.951 13.756 13.573 13.403 13.246 13.102 12.970 12.849 12.739 12.640 12.551 12.472 12.403 12.345 42.993 39.259 36.033 33.253 30.843 28.735 26.876 25.222 23.737 22.395 21.173 20.054 19.027 18.082 17.212 15.674 15.398 15.131 14.874 14.628 14.392 14.167 13.952 13.749 13.557 13.377 13.209 13.052 12.907 12.773 12.650 12.538 12.437 12.346 12.265 12.195 43.053 39.356 36.145 33.374 30.971 28.870 27.019 25.375 23.904 22.577 21.373 20.273 19.265 18.337 17.480 15.954 15.676 15.405 15.142 14.886 14.637 14.395 14.160 13.932 13.710 13.494 13.284 13.081 12.883 12.692 12.506 12.327 12.154 11.987 11.827 11.672 43.046 39.399 36.210 33.451 31.057 28.964 27.122 25.488 24.028 22.714 21.524 20.440 19.448 18.536 17.696 16.196 15.922 15.655 15.396 15.143 14.897 14.657 14.424 14.196 13.973 13.756 13.544 13.336 13.134 12.936 12.742 12.553 12.367 12.186 12.009 11.835 42.987 39.399 36.236 33.493 31.110 29.026 27.193 25.568 24.119 22.816 21.639 20.569 19.591 18.694 17.868 16.396 16.126 15.865 15.610 15.363 15.121 14.886 14.657 14.433 14.215 14.002 13.793 13.589 13.390 13.194 13.003 12.815 12.631 12.450 12.273 12.099 42.886 39.363 36.231 33.506 31.135 29.063 27.239 25.623 24.183 22.891 21.725 20.667 19.702 18.818 18.005 16.559 16.294 16.038 15.788 15.546 15.309 15.079 14.855 14.636 14.422 14.214 14.010 13.811 13.616 13.425 13.238 13.054 12.874 12.698 12.524 12.354 42.749 39.298 36.200 33.495 31.139 29.077 27.263 25.657 24.226 22.944 21.788 20.741 19.788 18.915 18.114 16.692 16.432 16.180 15.935 15.697 15.465 15.240 15.020 14.806 14.597 14.393 14.194 13.999 13.809 13.623 13.440 13.261 13.086 12.914 12.745 12.579 42.584 39.209 36.146 33.464 31.123 29.074 27.270 25.674 24.252 22.979 21.833 20.796 19.852 18.991 18.200 16.799 16.544 16.297 16.056 15.822 15.595 15.373 15.158 14.948 14.743 14.544 14.349 14.159 13.972 13.791 13.612 13.438 13.267 13.099 12.935 12.774 42.395 39.099 36.075 33.416 31.092 29.055 27.262 25.675 24.262 22.998 21.861 20.833 19.900 19.048 18.267 16.886 16.635 16.391 16.155 15.925 15.701 15.484 15.272 15.066 14.866 14.670 14.479 14.292 14.110 13.932 13.758 13.588 13.421 13.257 13.097 12.939 99999.999 38.972 35.987 33.352 31.046 29.023 27.241 25.664 24.260 23.005 21.876 20.857 19.932 19.089 18.318 16.955 16.708 16.468 16.235 16.009 15.789 15.575 15.367 15.164 14.967 14.775 14.587 14.405 14.226 14.051 13.881 13.714 13.551 13.390 13.234 13.080 ettringite Ca6Al2(SO4)3(OH)12(H2O)26 P-T:All Wt.(g/mol) = 1255.110 V(cc/mol) = 707.000 D(g/cc) = 1.775 Ref: MA07 5 -12.000 1 6.000 9 2.000 8 3.000 4 38.000 2 62.732 56.855 51.674 47.134 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 62.732 56.855 51.674 47.134 43.109 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 62.737 56.859 51.677 47.137 43.113 39.482 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 62.747 56.867 51.684 47.144 43.119 39.488 36.143 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 62.763 56.880 51.696 47.155 43.129 39.498 36.154 33.005 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 62.788 56.901 51.715 47.172 43.146 39.515 36.171 33.024 29.992 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 62.826 56.933 51.743 47.198 43.171 39.540 36.197 33.052 30.024 27.020 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 62.881 56.978 51.783 47.235 43.206 39.575 36.234 33.092 30.070 27.076 23.988 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 62.956 57.040 51.838 47.286 43.255 39.624 36.285 33.147 30.133 27.151 24.086 20.788 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.055 57.122 51.911 47.353 43.320 39.688 36.352 33.220 30.215 27.250 24.215 20.968 17.351 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.184 57.229 52.006 47.441 43.403 39.771 36.438 33.314 30.321 27.377 24.379 21.197 17.680 13.671 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.349 57.366 52.127 47.552 43.510 39.877 36.548 33.432 30.454 27.536 24.583 21.480 18.089 14.219 9.668 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.475 57.470 52.220 47.638 43.592 39.958 36.631 33.522 30.555 27.655 24.735 21.690 18.393 14.651 9.902 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.653 57.618 52.351 47.759 43.707 40.072 36.749 33.648 30.696 27.821 24.945 21.978 18.809 15.257 10.664 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 63.829 57.764 52.481 47.879 43.821 40.184 36.864 33.771 30.833 27.981 25.146 22.250 19.199 15.833 11.536 25.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 64.001 57.908 52.608 47.996 43.932 40.294 36.976 33.891 30.965 28.135 25.338 22.506 19.563 16.373 12.400 16.173 19.599 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 64.171 58.049 52.734 48.111 44.042 40.402 37.086 34.008 31.094 28.284 25.521 22.748 19.902 16.873 13.215 14.090 15.006 16.877 19.240 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 64.339 58.189 52.858 48.225 44.150 40.508 37.194 34.122 31.220 28.428 25.696 22.976 20.217 17.333 13.966 13.325 13.425 13.983 15.061 16.399 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 64.503 58.327 52.980 48.337 44.256 40.612 37.300 34.233 31.342 28.568 25.864 23.191 20.509 17.752 14.644 13.014 12.756 12.748 13.048 13.651 14.394 14.910 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 64.666 58.462 53.100 48.448 44.361 40.714 37.403 34.342 31.460 28.702 26.025 23.393 20.779 18.132 15.248 12.911 12.464 12.171 12.067 12.173 12.467 12.841 13.098 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 64.826 58.596 53.219 48.557 44.464 40.814 37.505 34.449 31.576 28.833 26.179 23.584 21.027 18.475 15.780 12.918 12.361 11.905 11.574 11.387 11.347 11.430 11.563 11.634 11.525 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 64.983 58.728 53.336 48.665 44.565 40.913 37.605 34.553 31.689 28.960 26.326 23.764 21.256 18.781 16.242 12.989 12.362 11.807 11.339 10.972 10.714 10.562 10.495 10.466 10.410 10.259 9.965 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.139 58.859 53.452 48.771 44.666 41.011 37.703 34.655 31.800 29.083 26.468 23.934 21.467 19.055 16.639 13.097 12.425 11.806 11.251 10.768 10.367 10.050 9.814 9.641 9.501 9.356 9.169 8.914 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.292 58.988 53.566 48.876 44.765 41.107 37.799 34.756 31.908 29.202 26.605 24.094 21.661 19.300 16.976 13.229 12.526 11.865 11.251 10.693 10.195 9.764 9.400 9.100 8.850 8.633 8.428 8.213 7.979 7.723 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 65.444 59.115 53.680 48.979 44.862 41.201 37.894 34.854 32.013 29.319 26.736 24.246 21.841 19.518 17.262 13.377 12.653 11.962 11.309 10.698 10.134 9.623 9.166 8.765 8.416 8.112 7.842 7.595 7.362 7.138 6.925 99999.999 99999.999 99999.999 99999.999 99999.999 65.593 59.241 53.791 49.082 44.958 41.295 37.987 34.950 32.116 29.432 26.863 24.391 22.008 19.713 17.503 13.534 12.796 12.085 11.404 10.756 10.146 9.578 9.054 8.577 8.147 7.762 7.419 7.113 6.838 6.591 6.373 6.188 6.045 99999.999 99999.999 99999.999 65.741 59.366 53.902 49.183 45.053 41.386 38.079 35.045 32.217 29.543 26.986 24.529 22.164 19.890 17.708 13.696 12.948 12.223 11.523 10.850 10.207 9.598 9.024 8.490 7.996 7.545 7.135 6.765 6.433 6.140 5.884 5.669 5.500 5.385 99999.999 99999.999 65.886 59.489 54.011 49.283 45.147 41.477 38.169 35.138 32.316 29.651 27.106 24.662 22.312 20.053 17.889 13.862 13.108 12.373 11.659 10.968 10.301 9.662 9.053 8.475 7.933 7.427 6.960 6.532 6.143 5.795 5.489 5.227 5.013 4.852 4.752 4.721 66.030 59.610 54.120 49.382 45.240 41.567 38.258 35.230 32.413 29.756 27.222 24.791 22.453 20.207 18.054 14.029 13.271 12.530 11.806 11.102 10.419 9.758 9.122 8.512 7.933 7.385 6.870 6.392 5.951 5.551 5.191 4.876 4.609 4.394 4.236 4.141 67.383 60.765 55.148 50.321 46.118 42.407 39.086 36.071 33.294 30.702 28.255 25.924 23.695 21.558 19.505 15.623 14.878 14.141 13.413 12.692 11.979 11.273 10.574 9.882 9.197 8.519 7.850 7.189 6.539 5.898 5.270 4.656 4.056 3.473 2.909 2.364 68.606 61.828 56.099 51.189 46.925 43.172 39.829 36.812 34.055 31.503 29.113 26.855 24.707 22.655 20.689 16.978 16.265 15.561 14.864 14.173 13.489 12.811 12.137 11.467 10.802 10.140 9.481 8.825 8.172 7.521 6.874 6.228 5.586 4.947 4.311 3.678 69.733 62.826 56.996 52.008 47.683 43.886 40.515 37.487 34.735 32.205 29.854 27.647 25.560 23.576 21.682 18.118 17.436 16.762 16.097 15.438 14.785 14.139 13.497 12.859 12.226 11.595 10.967 10.342 9.718 9.095 8.473 7.851 7.229 6.608 5.986 5.363 70.789 63.776 57.855 52.792 48.408 44.566 41.162 38.116 35.360 32.840 30.513 28.343 26.302 24.371 22.534 19.094 18.438 17.790 17.151 16.520 15.895 15.277 14.664 14.056 13.452 12.851 12.254 11.659 11.066 10.474 9.883 9.292 8.701 8.110 7.518 6.924 71.793 64.695 58.688 53.553 49.110 45.222 41.784 38.714 35.947 33.429 31.115 28.969 26.962 25.072 23.281 19.943 19.308 18.683 18.066 17.457 16.856 16.262 15.673 15.090 14.511 13.937 13.366 12.798 12.232 11.668 11.105 10.543 9.981 9.419 8.856 8.292 72.759 65.593 59.503 54.298 49.798 45.863 42.388 39.292 36.509 33.985 31.676 29.545 27.562 25.703 23.948 20.693 20.076 19.469 18.871 18.282 17.700 17.125 16.557 15.994 15.437 14.884 14.335 13.789 13.246 12.706 12.167 11.629 11.092 10.555 10.017 9.479 73.698 66.481 60.309 55.033 50.476 46.494 42.981 39.856 37.054 34.519 32.209 30.085 28.118 26.281 24.554 21.367 20.765 20.173 19.590 19.016 18.450 17.892 17.340 16.795 16.255 15.719 15.189 14.661 14.137 13.616 13.096 12.578 12.062 11.545 11.029 10.512 99999.999 67.365 61.109 55.763 51.149 47.120 43.568 40.412 37.587 35.039 32.722 30.599 28.640 26.819 25.113 21.979 21.389 20.809 20.239 19.678 19.126 18.581 18.043 17.511 16.985 16.465 15.948 15.436 14.928 14.422 13.918 13.416 12.916 12.416 11.917 11.417 gypsum CaSO4(H2O)2 P-T:All Wt.(g/mol) = 172.170 V(cc/mol) = 75.000 D(g/cc) = 2.296 Ref: MA07 3 1.000 9 1.000 4 2.000 2 -4.649 -4.588 -4.655 -4.794 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.649 -4.588 -4.655 -4.794 -4.986 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.648 -4.587 -4.654 -4.793 -4.985 -5.222 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.645 -4.585 -4.652 -4.791 -4.984 -5.221 -5.501 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.641 -4.582 -4.649 -4.789 -4.981 -5.218 -5.498 -5.822 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.635 -4.577 -4.645 -4.785 -4.977 -5.214 -5.494 -5.817 -6.189 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.625 -4.569 -4.638 -4.778 -4.971 -5.208 -5.487 -5.810 -6.180 -6.607 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.612 -4.558 -4.628 -4.769 -4.962 -5.198 -5.477 -5.799 -6.168 -6.593 -7.093 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.593 -4.543 -4.615 -4.757 -4.949 -5.186 -5.464 -5.784 -6.151 -6.572 -7.067 -7.665 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.568 -4.523 -4.597 -4.740 -4.933 -5.169 -5.446 -5.765 -6.129 -6.546 -7.032 -7.617 -8.348 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.535 -4.497 -4.574 -4.718 -4.912 -5.148 -5.424 -5.740 -6.100 -6.511 -6.989 -7.557 -8.258 -9.178 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.493 -4.463 -4.544 -4.691 -4.885 -5.120 -5.395 -5.708 -6.064 -6.468 -6.934 -7.483 -8.150 -9.005 -10.287 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.461 -4.438 -4.521 -4.669 -4.864 -5.099 -5.372 -5.684 -6.037 -6.436 -6.894 -7.428 -8.071 -8.882 -10.069 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.416 -4.401 -4.489 -4.639 -4.835 -5.069 -5.341 -5.650 -5.998 -6.391 -6.837 -7.353 -7.964 -8.719 -9.789 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.371 -4.365 -4.457 -4.609 -4.806 -5.040 -5.310 -5.617 -5.961 -6.347 -6.783 -7.282 -7.864 -8.570 -9.539 -10.762 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.327 -4.329 -4.426 -4.580 -4.777 -5.011 -5.280 -5.584 -5.924 -6.305 -6.731 -7.215 -7.771 -8.434 -9.315 -10.282 -10.771 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.283 -4.294 -4.395 -4.551 -4.749 -4.983 -5.250 -5.552 -5.889 -6.264 -6.682 -7.151 -7.684 -8.308 -9.113 -10.085 -10.441 -10.895 -11.611 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.240 -4.259 -4.364 -4.522 -4.721 -4.955 -5.221 -5.521 -5.854 -6.224 -6.634 -7.090 -7.603 -8.193 -8.931 -9.922 -10.239 -10.595 -11.029 -11.616 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.197 -4.225 -4.334 -4.494 -4.694 -4.927 -5.193 -5.490 -5.820 -6.185 -6.588 -7.033 -7.528 -8.088 -8.768 -9.778 -10.072 -10.390 -10.746 -11.164 -11.684 -12.355 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.155 -4.191 -4.304 -4.466 -4.667 -4.900 -5.164 -5.460 -5.787 -6.147 -6.543 -6.978 -7.457 -7.991 -8.622 -9.648 -9.926 -10.221 -10.540 -10.893 -11.296 -11.773 -12.347 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.113 -4.158 -4.274 -4.438 -4.640 -4.873 -5.137 -5.430 -5.754 -6.110 -6.500 -6.926 -7.390 -7.903 -8.492 -9.530 -9.794 -10.073 -10.369 -10.688 -11.036 -11.425 -11.869 -12.379 -12.962 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.072 -4.124 -4.245 -4.411 -4.613 -4.847 -5.109 -5.401 -5.722 -6.075 -6.459 -6.876 -7.328 -7.822 -8.376 -9.420 -9.674 -9.939 -10.219 -10.515 -10.832 -11.174 -11.550 -11.967 -12.430 -12.942 -13.500 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -4.032 -4.092 -4.215 -4.384 -4.587 -4.821 -5.083 -5.372 -5.691 -6.040 -6.418 -6.828 -7.270 -7.747 -8.273 -9.319 -9.563 -9.817 -10.084 -10.363 -10.658 -10.972 -11.308 -11.671 -12.064 -12.490 -12.950 -13.439 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.992 -4.059 -4.187 -4.357 -4.561 -4.795 -5.056 -5.344 -5.661 -6.006 -6.380 -6.783 -7.215 -7.679 -8.182 -9.223 -9.459 -9.705 -9.960 -10.226 -10.505 -10.798 -11.108 -11.437 -11.787 -12.159 -12.556 -12.974 -13.411 -13.861 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.952 -4.027 -4.158 -4.331 -4.536 -4.770 -5.030 -5.317 -5.631 -5.972 -6.342 -6.739 -7.163 -7.616 -8.101 -9.133 -9.362 -9.599 -9.845 -10.101 -10.367 -10.645 -10.936 -11.241 -11.561 -11.898 -12.252 -12.623 -13.008 -13.404 -13.807 99999.999 99999.999 99999.999 99999.999 99999.999 -3.913 -3.995 -4.130 -4.305 -4.511 -4.744 -5.004 -5.290 -5.601 -5.940 -6.305 -6.697 -7.114 -7.557 -8.029 -9.047 -9.271 -9.501 -9.739 -9.985 -10.240 -10.506 -10.782 -11.069 -11.369 -11.681 -12.006 -12.343 -12.691 -13.049 -13.412 -13.777 -14.140 99999.999 99999.999 99999.999 -3.874 -3.964 -4.102 -4.279 -4.486 -4.720 -4.979 -5.263 -5.572 -5.908 -6.269 -6.656 -7.067 -7.503 -7.964 -8.966 -9.184 -9.408 -9.638 -9.877 -10.123 -10.378 -10.642 -10.916 -11.199 -11.492 -11.796 -12.109 -12.431 -12.760 -13.094 -13.430 -13.765 -14.095 99999.999 99999.999 -3.835 -3.933 -4.075 -4.253 -4.461 -4.695 -4.954 -5.236 -5.544 -5.877 -6.234 -6.617 -7.023 -7.451 -7.904 -8.889 -9.101 -9.319 -9.544 -9.775 -10.014 -10.260 -10.514 -10.776 -11.046 -11.325 -11.612 -11.907 -12.209 -12.517 -12.828 -13.142 -13.455 -13.765 -14.068 -14.362 -3.797 -3.902 -4.047 -4.228 -4.437 -4.671 -4.929 -5.211 -5.516 -5.846 -6.200 -6.578 -6.979 -7.402 -7.848 -8.815 -9.022 -9.235 -9.454 -9.679 -9.911 -10.149 -10.394 -10.647 -10.906 -11.173 -11.447 -11.728 -12.014 -12.306 -12.600 -12.897 -13.193 -13.486 -13.775 -14.057 -3.438 -3.608 -3.787 -3.986 -4.205 -4.442 -4.697 -4.969 -5.260 -5.568 -5.894 -6.239 -6.600 -6.978 -7.371 -8.205 -8.380 -8.558 -8.739 -8.923 -9.111 -9.302 -9.496 -9.694 -9.895 -10.100 -10.308 -10.519 -10.733 -10.950 -11.169 -11.390 -11.612 -11.836 -12.060 -12.284 -3.110 -3.337 -3.546 -3.763 -3.992 -4.234 -4.488 -4.755 -5.035 -5.328 -5.635 -5.956 -6.290 -6.636 -6.994 -7.744 -7.900 -8.057 -8.217 -8.379 -8.543 -8.709 -8.878 -9.048 -9.221 -9.397 -9.574 -9.754 -9.936 -10.120 -10.307 -10.495 -10.685 -10.877 -11.070 -11.265 -2.806 -3.085 -3.321 -3.555 -3.794 -4.040 -4.296 -4.560 -4.833 -5.116 -5.409 -5.712 -6.026 -6.349 -6.681 -7.371 -7.514 -7.657 -7.803 -7.949 -8.098 -8.248 -8.399 -8.553 -8.708 -8.864 -9.023 -9.183 -9.345 -9.508 -9.674 -9.841 -10.010 -10.180 -10.353 -10.526 -2.521 -2.846 -3.109 -3.358 -3.607 -3.859 -4.117 -4.380 -4.649 -4.924 -5.207 -5.497 -5.794 -6.100 -6.412 -7.057 -7.190 -7.323 -7.458 -7.594 -7.731 -7.869 -8.008 -8.149 -8.291 -8.435 -8.580 -8.726 -8.874 -9.023 -9.174 -9.326 -9.479 -9.635 -9.791 -9.949 -2.252 -2.620 -2.906 -3.170 -3.429 -3.687 -3.948 -4.211 -4.477 -4.748 -5.023 -5.303 -5.588 -5.879 -6.176 -6.786 -6.910 -7.036 -7.162 -7.289 -7.418 -7.547 -7.677 -7.809 -7.941 -8.075 -8.210 -8.346 -8.483 -8.621 -8.761 -8.902 -9.044 -9.188 -9.333 -9.479 -1.994 -2.402 -2.711 -2.991 -3.259 -3.524 -3.787 -4.051 -4.317 -4.584 -4.853 -5.125 -5.401 -5.681 -5.965 -6.546 -6.665 -6.784 -6.904 -7.024 -7.146 -7.268 -7.391 -7.515 -7.640 -7.766 -7.893 -8.021 -8.150 -8.280 -8.411 -8.543 -8.677 -8.812 -8.948 -9.085 -1.746 -2.191 -2.524 -2.818 -3.095 -3.366 -3.634 -3.900 -4.164 -4.429 -4.695 -4.961 -5.230 -5.501 -5.774 -6.332 -6.445 -6.559 -6.674 -6.789 -6.905 -7.021 -7.139 -7.257 -7.376 -7.495 -7.616 -7.738 -7.860 -7.984 -8.108 -8.234 -8.360 -8.488 -8.617 -8.747 99999.999 -1.985 -2.341 -2.650 -2.937 -3.214 -3.486 -3.754 -4.019 -4.283 -4.545 -4.808 -5.070 -5.334 -5.600 -6.138 -6.247 -6.357 -6.467 -6.577 -6.689 -6.801 -6.913 -7.027 -7.141 -7.255 -7.371 -7.487 -7.605 -7.723 -7.842 -7.962 -8.084 -8.206 -8.329 -8.454 hemicarboaluminate Ca4Al2(CO3)0.5(OH)13(H2O)5.5 P-T:All Wt.(g/mol) = 564.460 V(cc/mol) = 285.000 D(g/cc) = 1.981 Ref: MA07 5 -13.500 1 4.000 9 2.000 8 0.500 5 18.500 2 101.361 91.784 83.707 76.824 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 101.361 91.784 83.707 76.824 70.881 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 101.364 91.786 83.709 76.826 70.883 65.678 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 101.369 91.791 83.713 76.830 70.886 65.682 61.059 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 101.377 91.798 83.720 76.837 70.893 65.688 61.066 56.904 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 101.391 91.810 83.731 76.847 70.903 65.698 61.076 56.914 53.115 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 101.410 91.828 83.747 76.862 70.918 65.713 61.092 56.931 53.133 49.609 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 101.439 91.853 83.771 76.884 70.939 65.734 61.114 56.954 53.159 49.639 46.303 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 101.477 91.888 83.803 76.915 70.968 65.763 61.144 56.986 53.194 49.679 46.353 43.129 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 101.529 91.934 83.845 76.955 71.007 65.802 61.183 57.028 53.240 49.732 46.418 43.214 40.071 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 101.595 91.993 83.900 77.007 71.057 65.852 61.234 57.083 53.300 49.801 46.502 43.324 40.209 37.221 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 101.679 92.069 83.970 77.073 71.121 65.915 61.299 57.151 53.375 49.886 46.607 43.461 40.389 37.375 34.868 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 101.743 92.127 84.024 77.123 71.170 65.963 61.349 57.204 53.432 49.951 46.686 43.565 40.527 37.530 34.553 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 101.833 92.208 84.099 77.195 71.239 66.032 61.418 57.277 53.511 50.042 46.796 43.709 40.722 37.776 34.643 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 101.921 92.288 84.173 77.265 71.306 66.098 61.486 57.348 53.589 50.129 46.901 43.846 40.909 38.027 34.931 50.370 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 102.006 92.366 84.246 77.333 71.372 66.163 61.553 57.418 53.664 50.214 47.003 43.976 41.086 38.273 35.279 39.420 43.902 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 102.090 92.443 84.317 77.400 71.436 66.227 61.617 57.486 53.737 50.295 47.100 44.100 41.253 38.507 35.638 36.765 38.227 40.974 44.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 102.172 92.518 84.387 77.466 71.500 66.290 61.681 57.552 53.808 50.375 47.193 44.217 41.409 38.726 35.983 35.588 36.088 37.183 39.042 41.606 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 102.253 92.591 84.455 77.531 71.562 66.351 61.743 57.616 53.877 50.452 47.283 44.328 41.555 38.928 36.302 34.941 35.005 35.402 36.229 37.548 39.301 41.238 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 102.331 92.664 84.523 77.594 71.623 66.411 61.803 57.679 53.945 50.526 47.368 44.432 41.689 39.111 36.589 34.550 34.373 34.410 34.714 35.335 36.293 37.541 38.938 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 102.408 92.735 84.589 77.657 71.683 66.470 61.863 57.741 54.010 50.598 47.451 44.531 41.814 39.277 36.842 34.302 33.977 33.800 33.806 34.026 34.486 35.189 36.097 37.126 38.168 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 102.483 92.804 84.654 77.718 71.742 66.527 61.921 57.801 54.075 50.668 47.530 44.624 41.928 39.424 37.060 34.142 33.718 33.405 33.223 33.195 33.342 33.674 34.189 34.857 35.626 36.433 37.215 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 102.557 92.872 84.717 77.778 71.800 66.584 61.978 57.860 54.137 50.737 47.607 44.712 42.033 39.555 37.246 34.042 33.547 33.140 32.833 32.642 32.582 32.665 32.895 33.266 33.758 34.339 34.967 35.606 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 102.629 92.940 84.780 77.838 71.857 66.640 62.034 57.918 54.198 50.803 47.680 44.795 42.129 39.670 37.400 33.981 33.435 32.961 32.566 32.262 32.060 31.969 31.996 32.143 32.404 32.764 33.202 33.694 34.216 34.752 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 102.699 93.006 84.842 77.896 71.913 66.694 62.089 57.975 54.258 50.868 47.751 44.874 42.218 39.772 37.527 33.950 33.365 32.840 32.382 31.996 31.692 31.477 31.358 31.338 31.417 31.592 31.850 32.179 32.563 32.989 33.446 99999.999 99999.999 99999.999 99999.999 99999.999 102.768 93.070 84.903 77.953 71.968 66.748 62.142 58.030 54.317 50.930 47.819 44.949 42.300 39.862 37.630 33.940 33.325 32.762 32.255 31.809 31.430 31.124 30.896 30.751 30.691 30.715 30.820 30.999 31.242 31.541 31.887 32.274 32.698 99999.999 99999.999 99999.999 102.836 93.134 84.963 78.010 72.022 66.801 62.195 58.084 54.374 50.992 47.886 45.021 42.377 39.943 37.715 33.945 33.308 32.715 32.170 31.678 31.242 30.867 30.557 30.317 30.149 30.055 30.034 30.083 30.198 30.373 30.603 30.882 31.207 31.576 99999.999 99999.999 102.903 93.197 85.021 78.066 72.075 66.853 62.247 58.138 54.430 51.052 47.950 45.090 42.449 40.017 37.788 33.963 33.307 32.690 32.116 31.588 31.108 30.680 30.308 29.994 29.742 29.554 29.431 29.372 29.375 29.439 29.558 29.730 29.953 30.222 30.539 30.903 102.968 93.259 85.079 78.120 72.128 66.904 62.298 58.190 54.485 51.110 48.013 45.157 42.519 40.087 37.854 33.990 33.319 32.683 32.086 31.529 31.015 30.545 30.123 29.752 29.434 29.172 28.966 28.818 28.728 28.693 28.714 28.787 28.910 29.083 29.303 29.571 103.555 93.827 85.617 78.629 72.614 67.376 62.766 58.665 54.980 51.635 48.574 45.755 43.149 40.733 38.493 34.483 33.751 33.040 32.350 31.682 31.033 30.405 29.796 29.208 28.639 28.090 27.561 27.053 26.565 26.098 25.653 25.229 24.827 24.448 24.092 23.758 104.047 94.322 86.092 79.081 73.044 67.792 63.175 59.075 55.399 52.074 49.040 46.252 43.676 41.287 39.064 35.055 34.314 33.593 32.888 32.201 31.530 30.874 30.233 29.607 28.993 28.393 27.805 27.230 26.666 26.113 25.571 25.040 24.519 24.009 23.508 23.018 104.466 94.764 86.521 79.490 73.435 68.167 63.540 59.438 55.767 52.454 49.438 46.674 44.124 41.761 39.562 35.585 34.849 34.130 33.427 32.741 32.069 31.411 30.767 30.135 29.515 28.906 28.308 27.720 27.141 26.570 26.008 25.454 24.907 24.367 23.832 23.304 104.829 95.164 86.915 79.868 73.795 68.513 63.875 59.767 56.096 52.790 49.788 47.042 44.513 42.173 39.996 36.059 35.330 34.617 33.921 33.240 32.574 31.921 31.281 30.653 30.037 29.431 28.835 28.249 27.671 27.101 26.539 25.984 25.435 24.892 24.354 23.822 105.150 95.534 87.283 80.222 74.134 68.837 64.188 60.072 56.399 53.095 50.101 47.368 44.857 42.535 40.379 36.481 35.759 35.054 34.365 33.691 33.031 32.385 31.752 31.131 30.521 29.921 29.331 28.751 28.179 27.616 27.059 26.509 25.966 25.429 24.896 24.369 105.438 95.882 87.631 80.558 74.456 69.145 64.483 60.359 56.682 53.378 50.388 47.664 45.165 42.859 40.720 36.858 36.143 35.445 34.763 34.096 33.443 32.804 32.177 31.563 30.960 30.367 29.785 29.211 28.646 28.090 27.540 26.998 26.462 25.932 25.407 24.887 105.700 96.213 87.965 80.881 74.765 69.440 64.767 60.633 56.949 53.643 50.655 47.936 45.446 43.152 41.027 37.197 36.488 35.796 35.121 34.460 33.814 33.181 32.561 31.953 31.356 30.770 30.194 29.628 29.070 28.520 27.978 27.442 26.914 26.391 25.873 25.361 99999.999 96.534 88.288 81.193 75.064 69.726 65.041 60.897 57.206 53.896 50.907 48.190 45.707 43.422 41.308 37.504 36.801 36.114 35.444 34.789 34.149 33.522 32.908 32.306 31.715 31.135 30.565 30.004 29.452 28.909 28.373 27.844 27.321 26.805 26.294 25.788 hydrogarnet Ca3Al2(OH)12 P-T:All Wt.(g/mol) = 378.290 V(cc/mol) = 150.000 D(g/cc) = 2.522 Ref: MA07 4 -12.000 1 3.000 9 2.000 8 12.000 2 90.233 80.915 73.060 66.371 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.233 80.915 73.060 66.371 60.601 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.235 80.917 73.062 66.372 60.603 55.562 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.239 80.920 73.065 66.375 60.606 55.565 51.104 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.245 80.926 73.070 66.381 60.611 55.571 51.109 47.110 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.255 80.935 73.079 66.389 60.619 55.579 51.118 47.119 43.490 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.270 80.949 73.092 66.401 60.632 55.591 51.131 47.133 43.506 40.164 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.291 80.968 73.110 66.419 60.649 55.609 51.149 47.153 43.528 40.190 37.058 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.319 80.995 73.135 66.443 60.673 55.633 51.175 47.181 43.558 40.225 37.101 34.110 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.357 81.030 73.169 66.475 60.704 55.665 51.208 47.217 43.598 40.271 37.157 34.183 31.312 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.406 81.075 73.211 66.516 60.745 55.706 51.251 47.263 43.649 40.330 37.230 34.277 31.426 28.758 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.467 81.132 73.266 66.569 60.796 55.758 51.306 47.321 43.714 40.404 37.321 34.395 31.577 28.870 26.754 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.514 81.176 73.307 66.608 60.836 55.798 51.347 47.366 43.763 40.461 37.389 34.484 31.694 28.994 26.414 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.579 81.237 73.365 66.665 60.891 55.854 51.405 47.428 43.831 40.539 37.484 34.608 31.860 29.195 26.442 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.642 81.297 73.422 66.719 60.945 55.908 51.461 47.488 43.897 40.614 37.576 34.726 32.019 29.405 26.662 41.330 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.704 81.355 73.477 66.773 60.997 55.961 51.517 47.547 43.962 40.688 37.663 34.839 32.171 29.612 26.946 30.915 35.227 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.764 81.412 73.531 66.825 61.049 56.013 51.570 47.604 44.024 40.758 37.748 34.946 32.315 29.811 27.244 28.392 29.826 32.498 36.428 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.822 81.467 73.584 66.876 61.099 56.063 51.622 47.660 44.085 40.826 37.829 35.047 32.450 29.997 27.534 27.265 27.788 28.880 30.712 33.251 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.878 81.521 73.636 66.926 61.148 56.113 51.673 47.714 44.144 40.893 37.906 35.144 32.575 30.170 27.803 26.641 26.749 27.177 28.019 29.341 31.101 33.076 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.933 81.574 73.686 66.975 61.196 56.161 51.723 47.767 44.201 40.957 37.980 35.234 32.692 30.327 28.047 26.258 26.139 26.224 26.566 27.216 28.197 29.471 30.913 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.986 81.625 73.736 67.022 61.243 56.208 51.772 47.818 44.257 41.019 38.052 35.320 32.799 30.469 28.263 26.013 25.751 25.634 25.691 25.957 26.457 27.196 28.143 29.224 30.337 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 91.038 81.675 73.784 67.069 61.288 56.254 51.819 47.868 44.311 41.079 38.120 35.401 32.898 30.596 28.449 25.852 25.495 25.247 25.126 25.155 25.353 25.733 26.294 27.010 27.836 28.710 29.576 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 91.088 81.724 73.831 67.115 61.333 56.299 51.865 47.917 44.364 41.137 38.186 35.477 32.989 30.708 28.607 25.747 25.323 24.985 24.745 24.618 24.617 24.756 25.041 25.465 26.013 26.652 27.347 28.061 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 91.137 81.772 73.877 67.159 61.377 56.343 51.911 47.965 44.416 41.194 38.250 35.549 33.072 30.808 28.739 25.681 25.208 24.805 24.481 24.245 24.109 24.081 24.169 24.375 24.695 25.114 25.614 26.171 26.762 27.372 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 91.184 81.819 73.922 67.203 61.420 56.386 51.955 48.012 44.466 41.249 38.311 35.618 33.149 30.895 28.847 25.642 25.133 24.682 24.296 23.982 23.748 23.601 23.548 23.592 23.735 23.971 24.292 24.685 25.134 25.626 26.150 99999.999 99999.999 99999.999 99999.999 99999.999 91.230 81.865 73.967 67.246 61.462 56.428 51.998 48.057 44.515 41.303 38.370 35.683 33.220 30.973 28.935 25.625 25.087 24.599 24.167 23.794 23.488 23.253 23.096 23.019 23.026 23.117 23.287 23.530 23.839 24.202 24.612 25.062 25.548 99999.999 99999.999 99999.999 91.275 81.910 74.010 67.288 61.504 56.470 52.041 48.102 44.563 41.355 38.427 35.745 33.287 31.043 29.008 25.623 25.062 24.546 24.077 23.660 23.300 22.999 22.762 22.594 22.497 22.472 22.519 22.636 22.817 23.058 23.352 23.694 24.080 24.506 99999.999 99999.999 91.319 81.953 74.052 67.329 61.544 56.510 52.082 48.145 44.610 41.406 38.482 35.804 33.350 31.107 29.070 25.632 25.053 24.514 24.018 23.566 23.163 22.811 22.514 22.275 22.097 21.982 21.930 21.941 22.014 22.144 22.330 22.567 22.851 23.180 23.552 23.968 91.361 81.996 74.094 67.370 61.584 56.550 52.123 48.188 44.655 41.455 38.536 35.862 33.411 31.168 29.126 25.651 25.057 24.500 23.981 23.502 23.065 22.673 22.329 22.035 21.793 21.605 21.474 21.399 21.380 21.416 21.505 21.645 21.833 22.067 22.346 22.668 91.726 82.376 74.468 67.735 61.943 56.908 52.488 48.569 45.061 41.894 39.012 36.376 33.955 31.728 29.678 26.059 25.407 24.776 24.167 23.579 23.012 22.466 21.941 21.436 20.951 20.486 20.042 19.619 19.217 18.836 18.476 18.138 17.822 17.528 17.256 17.007 92.001 82.686 74.781 68.043 62.246 57.210 52.793 48.884 45.394 42.251 39.399 36.795 34.405 32.205 30.173 26.554 25.893 25.252 24.628 24.022 23.433 22.859 22.301 21.758 21.229 20.714 20.212 19.723 19.246 18.782 18.328 17.887 17.456 17.036 16.627 16.227 92.207 82.942 75.046 68.308 62.508 57.470 53.055 49.153 45.675 42.550 39.721 37.144 34.782 32.608 30.601 27.015 26.358 25.719 25.097 24.491 23.900 23.325 22.763 22.214 21.678 21.154 20.641 20.139 19.647 19.164 18.691 18.226 17.769 17.319 16.877 16.441 92.358 83.155 75.275 68.539 62.738 57.699 53.285 49.386 45.917 42.805 39.995 37.439 35.101 32.952 30.969 27.424 26.774 26.141 25.525 24.925 24.340 23.769 23.211 22.666 22.134 21.612 21.101 20.600 20.109 19.626 19.151 18.685 18.225 17.772 17.326 16.885 92.468 83.337 75.475 68.743 62.942 57.902 53.489 49.593 46.130 43.028 40.231 37.693 35.376 33.248 31.287 27.784 27.141 26.516 25.907 25.314 24.736 24.172 23.621 23.082 22.556 22.040 21.535 21.040 20.554 20.076 19.607 19.145 18.691 18.243 17.800 17.364 92.544 83.493 75.653 68.927 63.127 58.087 53.673 49.779 46.320 43.226 40.439 37.915 35.614 33.506 31.564 28.099 27.465 26.847 26.246 25.660 25.089 24.532 23.988 23.456 22.936 22.428 21.929 21.441 20.962 20.491 20.029 19.574 19.126 18.685 18.250 17.820 92.594 83.631 75.814 69.094 63.296 58.256 53.842 49.949 46.493 43.404 40.626 38.112 35.825 33.732 31.807 28.378 27.750 27.140 26.545 25.967 25.402 24.852 24.315 23.790 23.277 22.775 22.283 21.802 21.329 20.866 20.410 19.962 19.522 19.087 18.659 18.237 99999.999 83.754 75.960 69.248 63.452 58.412 53.998 50.106 46.652 43.567 40.795 38.290 36.013 33.933 32.023 28.625 28.004 27.400 26.812 26.239 25.681 25.137 24.606 24.087 23.581 23.085 22.600 22.124 21.658 21.201 20.752 20.310 19.876 19.449 19.027 18.612 hydrogarnet-Si Ca3Al2(SiO4)0.8(OH)8.8 P-T:All Wt.(g/mol) = 397.530 V(cc/mol) = 143.000 D(g/cc) = 2.780 Ref: MA07 5 -12.000 1 3.000 9 2.000 8 0.800 7 8.800 2 77.016 68.744 61.717 55.710 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.016 68.744 61.717 55.710 50.515 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.018 68.746 61.719 55.712 50.517 45.969 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.022 68.749 61.723 55.715 50.521 45.972 41.937 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.028 68.756 61.729 55.721 50.527 45.979 41.943 38.315 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.039 68.766 61.739 55.731 50.536 45.988 41.953 38.326 35.023 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.054 68.781 61.753 55.745 50.551 46.003 41.969 38.343 35.041 31.987 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.077 68.803 61.774 55.765 50.571 46.023 41.990 38.366 35.067 32.017 29.137 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.107 68.832 61.802 55.793 50.599 46.052 42.020 38.398 35.102 32.057 29.186 26.416 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.147 68.871 61.840 55.830 50.635 46.089 42.059 38.440 35.149 32.110 29.250 26.498 23.818 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.198 68.921 61.888 55.877 50.682 46.137 42.110 38.494 35.208 32.178 29.332 26.603 23.945 21.435 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.262 68.984 61.950 55.937 50.742 46.198 42.173 38.563 35.283 32.264 29.436 26.735 24.112 21.569 19.570 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.310 69.031 61.996 55.983 50.787 46.244 42.221 38.614 35.340 32.328 29.513 26.834 24.242 21.708 19.256 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.377 69.098 62.061 56.047 50.851 46.309 42.289 38.687 35.420 32.419 29.622 26.973 24.424 21.929 19.314 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.442 69.162 62.124 56.109 50.913 46.372 42.355 38.757 35.497 32.506 29.726 27.105 24.599 22.158 19.561 34.269 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.504 69.225 62.185 56.169 50.973 46.433 42.419 38.825 35.571 32.590 29.825 27.231 24.766 22.384 19.867 24.003 28.291 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.564 69.285 62.245 56.228 51.032 46.493 42.481 38.892 35.643 32.671 29.921 27.351 24.925 22.599 20.186 21.538 22.985 25.649 29.547 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.622 69.344 62.303 56.285 51.089 46.551 42.541 38.956 35.714 32.750 30.013 27.465 25.073 22.802 20.495 20.452 21.000 22.107 23.940 26.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.677 69.401 62.359 56.340 51.144 46.607 42.600 39.018 35.782 32.826 30.102 27.573 25.212 22.990 20.782 19.860 20.001 20.454 21.312 22.641 24.396 26.355 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.731 69.456 62.413 56.394 51.198 46.662 42.657 39.079 35.848 32.899 30.187 27.675 25.341 23.161 21.043 19.506 19.423 19.539 19.906 20.574 21.565 22.840 24.276 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.782 69.509 62.467 56.447 51.251 46.716 42.713 39.139 35.912 32.971 30.268 27.772 25.461 23.317 21.275 19.285 19.063 18.981 19.069 19.359 19.878 20.629 21.582 22.663 23.771 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.831 69.561 62.518 56.498 51.302 46.768 42.767 39.196 35.975 33.040 30.346 27.864 25.572 23.458 21.477 19.147 18.833 18.623 18.536 18.594 18.817 19.216 19.791 20.516 21.346 22.220 23.082 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.879 69.611 62.568 56.548 51.352 46.819 42.820 39.252 36.035 33.107 30.422 27.950 25.674 23.583 21.650 19.063 18.684 18.386 18.183 18.089 18.117 18.281 18.585 19.025 19.583 20.229 20.928 21.643 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.924 69.660 62.617 56.597 51.401 46.868 42.871 39.307 36.094 33.172 30.494 28.032 25.769 23.695 21.795 19.016 18.590 18.230 17.945 17.745 17.640 17.640 17.753 17.979 18.315 18.748 19.257 19.820 20.416 21.027 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 77.968 69.707 62.665 56.644 51.448 46.917 42.921 39.360 36.152 33.235 30.564 28.110 25.857 23.795 21.917 18.996 18.534 18.128 17.783 17.507 17.307 17.191 17.166 17.234 17.398 17.652 17.987 18.390 18.848 19.347 19.876 99999.999 99999.999 99999.999 99999.999 99999.999 78.010 69.752 62.711 56.690 51.494 46.964 42.970 39.412 36.208 33.296 30.632 28.185 25.938 23.884 22.019 18.996 18.506 18.065 17.675 17.342 17.073 16.872 16.744 16.695 16.726 16.838 17.026 17.285 17.606 17.980 18.399 18.856 19.348 99999.999 99999.999 99999.999 78.050 69.797 62.756 56.735 51.539 47.010 43.018 39.462 36.262 33.356 30.697 28.256 26.015 23.965 22.104 19.010 18.499 18.030 17.606 17.230 16.908 16.642 16.439 16.300 16.230 16.229 16.298 16.433 16.631 16.886 17.192 17.544 17.939 18.374 99999.999 99999.999 78.088 69.840 62.800 56.779 51.583 47.054 43.065 39.512 36.316 33.414 30.760 28.324 26.088 24.040 22.178 19.036 18.507 18.017 17.565 17.156 16.793 16.478 16.216 16.009 15.860 15.771 15.743 15.776 15.868 16.016 16.216 16.466 16.762 17.102 17.484 17.908 78.125 69.881 62.842 56.821 51.626 47.098 43.110 39.560 36.367 33.470 30.822 28.391 26.157 24.111 22.246 19.069 18.527 18.019 17.547 17.111 16.716 16.363 16.054 15.793 15.583 15.424 15.319 15.268 15.270 15.326 15.433 15.589 15.791 16.039 16.329 16.663 78.414 70.232 63.210 57.194 52.004 47.484 43.510 39.982 36.822 33.964 31.361 28.975 26.780 24.758 22.895 19.600 19.005 18.430 17.874 17.337 16.820 16.321 15.841 15.379 14.936 14.511 14.106 13.719 13.352 13.005 12.677 12.370 12.083 11.817 11.572 11.348 78.582 70.484 63.490 57.486 52.303 47.791 43.829 40.320 37.183 34.357 31.790 29.443 27.286 25.298 23.461 20.183 19.583 19.001 18.434 17.884 17.348 16.826 16.318 15.824 15.341 14.872 14.413 13.966 13.530 13.105 12.690 12.286 11.891 11.505 11.130 10.763 78.654 70.659 63.702 57.715 52.542 48.040 44.089 40.593 37.477 34.675 32.137 29.823 27.701 25.747 23.940 20.708 20.115 19.538 18.977 18.429 17.896 17.375 16.866 16.369 15.884 15.408 14.942 14.486 14.038 13.599 13.167 12.743 12.326 11.915 11.510 11.110 78.651 70.773 63.860 57.895 52.734 48.241 44.301 40.818 37.717 34.936 32.423 30.137 28.045 26.121 24.344 21.165 20.582 20.014 19.461 18.921 18.395 17.882 17.380 16.889 16.409 15.939 15.478 15.025 14.581 14.144 13.715 13.291 12.874 12.463 12.056 11.655 78.588 70.838 63.975 58.033 52.888 48.406 44.476 41.004 37.917 35.153 32.660 30.398 28.332 26.435 24.686 21.559 20.986 20.428 19.884 19.354 18.837 18.332 17.839 17.357 16.885 16.423 15.970 15.525 15.089 14.660 14.237 13.821 13.411 13.007 12.607 12.212 78.476 70.864 64.054 58.139 53.010 48.540 44.620 41.160 38.085 35.334 32.859 30.616 28.573 26.700 24.976 21.899 21.335 20.786 20.251 19.731 19.223 18.727 18.243 17.770 17.307 16.853 16.409 15.973 15.545 15.125 14.711 14.304 13.903 13.507 13.116 12.730 78.325 70.859 64.104 58.218 53.106 48.649 44.740 41.290 38.226 35.488 33.027 30.801 28.777 26.925 25.223 22.191 21.636 21.096 20.570 20.058 19.559 19.072 18.596 18.132 17.677 17.232 16.797 16.369 15.950 15.538 15.133 14.734 14.342 13.955 13.573 13.196 99999.999 70.828 64.129 58.273 53.181 48.737 44.839 41.399 38.345 35.618 33.170 30.959 28.951 27.118 25.435 22.444 21.897 21.365 20.847 20.343 19.852 19.373 18.905 18.449 18.002 17.565 17.137 16.718 16.306 15.902 15.505 15.115 14.730 14.351 13.977 13.608 jennite Ca1.667SiO2(OH)3.333(H2O)0.430 P-T:All Wt.(g/mol) = 191.330 V(cc/mol) = 78.000 D(g/cc) = 2.453 Ref: MA07 4 -3.334 1 1.667 9 1.000 7 1.763 2 31.746 29.452 27.482 25.798 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.746 29.452 27.482 25.798 24.347 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.747 29.452 27.483 25.798 24.348 23.085 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.748 29.453 27.484 25.799 24.349 23.086 21.976 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.750 29.455 27.485 25.801 24.350 23.088 21.978 20.988 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.752 29.458 27.488 25.804 24.353 23.091 21.980 20.991 20.099 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.756 29.462 27.492 25.808 24.357 23.095 21.985 20.996 20.104 19.287 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.762 29.468 27.498 25.814 24.363 23.101 21.991 21.002 20.111 19.295 18.533 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.770 29.476 27.506 25.822 24.371 23.109 21.999 21.011 20.121 19.306 18.546 17.818 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.780 29.486 27.517 25.832 24.381 23.119 22.010 21.023 20.133 19.321 18.563 17.839 17.133 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.793 29.500 27.530 25.845 24.394 23.133 22.024 21.037 20.150 19.339 18.585 17.867 17.169 16.484 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.809 29.516 27.547 25.862 24.411 23.149 22.041 21.056 20.170 19.362 18.612 17.902 17.214 16.533 15.895 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.820 29.529 27.559 25.874 24.423 23.162 22.054 21.070 20.185 19.379 18.633 17.928 17.248 16.576 15.880 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.836 29.546 27.576 25.891 24.440 23.179 22.072 21.089 20.206 19.402 18.661 17.964 17.296 16.638 15.934 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.850 29.561 27.592 25.907 24.456 23.196 22.090 21.108 20.226 19.425 18.688 17.998 17.341 16.699 16.012 17.903 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.863 29.576 27.608 25.923 24.472 23.212 22.106 21.125 20.245 19.447 18.713 18.030 17.383 16.757 16.097 16.401 16.953 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.876 29.591 27.622 25.937 24.487 23.227 22.122 21.142 20.264 19.468 18.738 18.060 17.423 16.812 16.180 16.045 16.183 16.493 16.942 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.887 29.604 27.636 25.951 24.501 23.242 22.138 21.159 20.282 19.488 18.761 18.089 17.460 16.863 16.258 15.900 15.904 15.990 16.177 16.442 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.897 29.616 27.649 25.965 24.515 23.256 22.152 21.174 20.299 19.507 18.783 18.116 17.495 16.910 16.329 15.829 15.772 15.763 15.813 15.925 16.086 16.248 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.906 29.628 27.662 25.978 24.528 23.270 22.166 21.189 20.315 19.525 18.804 18.141 17.527 16.953 16.394 15.793 15.704 15.646 15.624 15.646 15.710 15.806 15.908 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.915 29.639 27.673 25.990 24.540 23.282 22.180 21.204 20.331 19.542 18.824 18.165 17.557 16.992 16.451 15.776 15.668 15.580 15.519 15.488 15.489 15.520 15.573 15.634 15.684 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.922 29.649 27.684 26.001 24.552 23.295 22.193 21.218 20.346 19.559 18.844 18.188 17.585 17.027 16.501 15.771 15.650 15.544 15.458 15.394 15.354 15.339 15.346 15.370 15.402 15.432 15.450 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.929 29.658 27.695 26.012 24.563 23.306 22.205 21.231 20.361 19.575 18.862 18.209 17.610 17.058 16.545 15.774 15.643 15.526 15.423 15.338 15.271 15.224 15.196 15.186 15.189 15.201 15.214 15.224 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.935 29.667 27.705 26.022 24.574 23.318 22.217 21.244 20.374 19.591 18.879 18.229 17.634 17.087 16.582 15.781 15.644 15.518 15.404 15.304 15.219 15.150 15.096 15.059 15.036 15.025 15.022 15.023 15.026 15.028 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 31.939 29.675 27.714 26.032 24.584 23.328 22.228 21.256 20.388 19.606 18.896 18.248 17.655 17.112 16.614 15.791 15.650 15.518 15.396 15.286 15.187 15.102 15.031 14.973 14.928 14.896 14.874 14.860 14.853 14.849 14.849 99999.999 99999.999 99999.999 99999.999 99999.999 31.944 29.683 27.722 26.041 24.594 23.338 22.239 21.268 20.401 19.620 18.912 18.266 17.676 17.135 16.641 15.804 15.659 15.522 15.395 15.277 15.169 15.073 14.987 14.914 14.853 14.803 14.763 14.734 14.712 14.698 14.689 14.686 14.688 99999.999 99999.999 99999.999 31.947 29.689 27.730 26.050 24.603 23.348 22.250 21.279 20.413 19.634 18.927 18.283 17.694 17.156 16.664 15.818 15.670 15.531 15.399 15.275 15.161 15.056 14.960 14.875 14.800 14.736 14.682 14.638 14.602 14.575 14.555 14.543 14.536 14.537 99999.999 99999.999 31.950 29.695 27.738 26.058 24.612 23.357 22.259 21.290 20.425 19.647 18.942 18.299 17.712 17.175 16.684 15.833 15.684 15.541 15.406 15.279 15.159 15.047 14.944 14.850 14.765 14.690 14.623 14.566 14.518 14.479 14.447 14.423 14.407 14.398 14.396 14.402 31.951 29.701 27.745 26.066 24.620 23.366 22.269 21.300 20.436 19.660 18.956 18.315 17.729 17.193 16.703 15.849 15.698 15.554 15.416 15.285 15.162 15.045 14.936 14.835 14.742 14.658 14.582 14.514 14.455 14.404 14.361 14.326 14.299 14.280 14.268 14.263 31.934 29.726 27.788 26.119 24.680 23.432 22.341 21.380 20.527 19.761 19.071 18.443 17.871 17.346 16.865 16.014 15.859 15.710 15.565 15.424 15.288 15.156 15.027 14.903 14.783 14.666 14.554 14.445 14.339 14.238 14.141 14.047 13.958 13.872 13.791 13.713 31.861 29.706 27.791 26.135 24.705 23.464 22.381 21.428 20.582 19.827 19.148 18.532 17.971 17.458 16.988 16.154 16.002 15.855 15.712 15.573 15.437 15.305 15.177 15.052 14.930 14.811 14.695 14.581 14.470 14.362 14.256 14.152 14.051 13.952 13.855 13.760 31.745 29.650 27.762 26.122 24.703 23.471 22.395 21.450 20.612 19.866 19.196 18.591 18.041 17.539 17.078 16.264 16.116 15.972 15.832 15.696 15.564 15.435 15.310 15.187 15.068 14.951 14.837 14.725 14.616 14.508 14.403 14.300 14.199 14.099 14.001 13.904 31.595 29.565 27.708 26.086 24.679 23.457 22.389 21.451 20.622 19.884 19.223 18.627 18.086 17.594 17.144 16.348 16.203 16.063 15.927 15.794 15.666 15.540 15.418 15.299 15.183 15.069 14.958 14.850 14.743 14.639 14.537 14.436 14.338 14.240 14.145 14.051 31.415 29.457 27.633 26.031 24.638 23.426 22.367 21.437 20.615 19.885 19.232 18.644 18.113 17.630 17.188 16.410 16.269 16.132 15.999 15.870 15.745 15.623 15.504 15.388 15.275 15.165 15.057 14.952 14.849 14.748 14.649 14.552 14.456 14.362 14.270 14.179 31.212 29.330 27.541 25.960 24.582 23.381 22.331 21.409 20.595 19.872 19.227 18.647 18.124 17.649 17.216 16.454 16.316 16.182 16.053 15.927 15.805 15.686 15.570 15.457 15.348 15.240 15.136 15.034 14.934 14.836 14.740 14.646 14.554 14.463 14.374 14.286 30.990 29.186 27.434 25.876 24.513 23.324 22.284 21.370 20.564 19.848 19.210 18.638 18.122 17.655 17.229 16.483 16.348 16.217 16.091 15.968 15.848 15.732 15.620 15.510 15.403 15.299 15.197 15.098 15.001 14.906 14.813 14.722 14.632 14.545 14.458 14.374 99999.999 29.029 27.315 25.780 24.433 23.257 22.227 21.322 20.523 19.815 19.183 18.618 18.109 17.649 17.231 16.499 16.367 16.239 16.115 15.995 15.878 15.765 15.655 15.548 15.444 15.342 15.243 15.147 15.052 14.960 14.870 14.781 14.694 14.609 14.526 14.443 monosulfoaluminate Ca4Al2(SO4)(OH)12(H2O)6 P-T:All Wt.(g/mol) = 622.520 V(cc/mol) = 309.000 D(g/cc) = 2.015 Ref: MA07 5 -12.000 1 4.000 9 2.000 8 1.000 4 18.000 2 81.060 72.495 65.160 58.833 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.060 72.495 65.160 58.833 53.303 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.064 72.498 65.163 58.835 53.306 48.402 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.070 72.504 65.168 58.840 53.310 48.407 43.991 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.082 72.514 65.177 58.849 53.319 48.415 44.000 39.962 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.099 72.529 65.191 58.862 53.332 48.428 44.014 39.977 36.228 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.126 72.553 65.213 58.883 53.351 48.448 44.034 39.999 36.252 32.707 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.164 72.586 65.243 58.911 53.380 48.476 44.063 40.030 36.287 32.747 29.312 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.216 72.632 65.285 58.951 53.418 48.515 44.103 40.073 36.334 32.802 29.380 25.970 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.285 72.692 65.341 59.004 53.469 48.566 44.156 40.129 36.397 32.874 29.470 26.088 22.648 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.375 72.771 65.414 59.072 53.536 48.632 44.224 40.202 36.477 32.967 29.584 26.238 22.847 19.408 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.488 72.871 65.506 59.159 53.620 48.716 44.311 40.295 36.579 33.083 29.727 26.426 23.100 19.683 16.426 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.575 72.948 65.576 59.226 53.685 48.781 44.377 40.365 36.656 33.171 29.835 26.567 23.292 19.923 16.293 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.698 73.057 65.676 59.320 53.776 48.872 44.471 40.464 36.764 33.294 29.984 26.762 23.558 20.278 16.587 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.819 73.164 65.775 59.413 53.866 48.961 44.562 40.560 36.869 33.414 30.128 26.948 23.811 20.628 17.046 30.753 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 81.937 73.269 65.871 59.504 53.954 49.048 44.651 40.655 36.971 33.529 30.266 27.125 24.051 20.964 17.542 20.784 24.661 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 82.053 73.372 65.966 59.594 54.040 49.134 44.739 40.747 37.071 33.641 30.399 27.293 24.276 21.281 18.032 18.434 19.560 21.826 25.092 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 82.167 73.473 66.060 59.682 54.126 49.218 44.825 40.837 37.168 33.750 30.527 27.453 24.488 21.576 18.494 17.452 17.700 18.480 19.923 21.922 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 82.279 73.573 66.152 59.769 54.209 49.301 44.909 40.925 37.263 33.855 30.649 27.604 24.685 21.848 18.918 16.955 16.809 16.959 17.486 18.432 19.714 21.062 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 82.389 73.671 66.243 59.855 54.292 49.383 44.992 41.011 37.355 33.958 30.768 27.747 24.868 22.096 19.299 16.687 16.328 16.155 16.216 16.551 17.167 18.004 18.912 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 82.497 73.768 66.332 59.939 54.373 49.463 45.073 41.096 37.446 34.057 30.882 27.883 25.038 22.321 19.637 16.546 16.056 15.696 15.493 15.475 15.661 16.047 16.587 17.194 17.760 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 82.603 73.863 66.420 60.022 54.453 49.541 45.153 41.179 37.534 34.155 30.991 28.012 25.196 22.524 19.933 16.482 15.907 15.427 15.060 14.826 14.740 14.810 15.027 15.360 15.755 16.151 16.491 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 82.707 73.957 66.507 60.104 54.531 49.619 45.231 41.260 37.621 34.249 31.097 28.135 25.342 22.706 20.187 16.467 15.833 15.273 14.798 14.423 14.158 14.013 13.992 14.083 14.267 14.510 14.774 15.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 82.810 74.050 66.592 60.184 54.609 49.695 45.308 41.340 37.706 34.341 31.200 28.251 25.478 22.870 20.404 16.486 15.809 15.193 14.643 14.171 13.784 13.491 13.298 13.203 13.200 13.273 13.404 13.568 13.749 13.933 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 82.911 74.141 66.677 60.264 54.685 49.770 45.384 41.418 37.789 34.431 31.299 28.362 25.604 23.016 20.587 16.528 15.820 15.162 14.559 14.018 13.545 13.147 12.829 12.594 12.441 12.365 12.356 12.402 12.489 12.608 12.751 99999.999 99999.999 99999.999 99999.999 99999.999 83.010 74.231 66.760 60.342 54.761 49.844 45.458 41.495 37.870 34.519 31.395 28.468 25.722 23.149 20.742 16.586 15.855 15.166 14.524 13.932 13.396 12.922 12.513 12.173 11.904 11.705 11.572 11.500 11.481 11.508 11.574 11.678 11.820 99999.999 99999.999 99999.999 83.108 74.319 66.842 60.420 54.835 49.917 45.531 41.570 37.950 34.605 31.488 28.570 25.833 23.269 20.875 16.656 15.907 15.195 14.523 13.894 13.311 12.779 12.302 11.883 11.524 11.227 10.991 10.814 10.693 10.623 10.601 10.625 10.692 10.805 99999.999 99999.999 83.204 74.407 66.923 60.496 54.909 49.989 45.603 41.645 38.028 34.688 31.579 28.669 25.939 23.381 20.992 16.735 15.972 15.242 14.547 13.889 13.271 12.696 12.167 11.687 11.258 10.884 10.563 10.298 10.086 9.926 9.817 9.755 9.741 9.774 9.856 9.990 83.299 74.493 67.003 60.572 54.981 50.060 45.675 41.718 38.105 34.771 31.668 28.764 26.041 23.488 21.100 16.820 16.046 15.302 14.589 13.909 13.264 12.655 12.086 11.559 11.077 10.641 10.253 9.914 9.624 9.385 9.194 9.051 8.956 8.909 8.910 8.962 84.174 75.300 67.755 61.281 55.660 50.722 46.334 42.390 38.805 35.514 32.465 29.622 26.957 24.453 22.096 17.778 16.971 16.182 15.411 14.656 13.917 13.194 12.487 11.796 11.121 10.461 9.818 9.191 8.581 7.989 7.415 6.860 6.324 5.808 5.313 4.839 84.938 76.023 68.433 61.922 56.272 51.315 46.919 42.979 39.411 36.148 33.138 30.340 27.724 25.268 22.954 18.697 17.897 17.113 16.344 15.588 14.846 14.116 13.398 12.691 11.994 11.308 10.632 9.965 9.307 8.658 8.018 7.386 6.762 6.146 5.539 4.939 85.617 76.682 69.057 62.513 56.836 51.859 47.451 43.509 39.949 36.705 33.722 30.959 28.382 25.966 23.693 19.511 18.725 17.954 17.196 16.452 15.721 15.001 14.292 13.593 12.904 12.224 11.552 10.888 10.231 9.581 8.937 8.299 7.666 7.038 6.414 5.795 86.232 77.293 69.640 63.065 57.362 52.365 47.944 43.996 40.439 37.205 34.242 31.504 28.958 26.577 24.339 20.227 19.455 18.697 17.954 17.223 16.505 15.798 15.102 14.417 13.740 13.073 12.413 11.761 11.116 10.477 9.843 9.215 8.592 7.973 7.357 6.745 86.797 77.867 70.190 63.588 57.861 52.844 48.408 44.452 40.892 37.664 34.713 31.994 29.473 27.119 24.911 20.861 20.102 19.357 18.626 17.908 17.203 16.509 15.826 15.153 14.490 13.835 13.189 12.550 11.918 11.293 10.673 10.059 9.449 8.843 8.242 7.643 87.322 78.413 70.715 64.088 58.337 53.300 48.849 44.882 41.319 38.091 35.147 32.442 29.939 27.607 25.424 21.428 20.680 19.946 19.227 18.520 17.826 17.144 16.473 15.812 15.161 14.518 13.884 13.258 12.638 12.026 11.419 10.817 10.221 9.629 9.041 8.456 87.817 78.939 71.222 64.570 58.797 53.740 49.273 45.295 41.724 38.495 35.554 32.857 30.367 28.053 25.890 21.940 21.201 20.477 19.767 19.071 18.387 17.715 17.054 16.403 15.762 15.131 14.507 13.892 13.284 12.682 12.087 11.497 10.912 10.332 9.756 9.184 99999.999 79.450 71.714 65.038 59.243 54.167 49.683 45.692 42.113 38.880 35.940 33.247 30.766 28.465 26.318 22.406 21.675 20.960 20.258 19.570 18.895 18.231 17.579 16.938 16.306 15.683 15.069 14.463 13.864 13.272 12.687 12.107 11.532 10.962 10.396 9.835 monocarboaluminate Ca4Al2(CO3)(OH)12(H2O)5 P-T:All Wt.(g/mol) = 568.450 V(cc/mol) = 262.000 D(g/cc) = 2.170 Ref: MA07 5 -13.000 1 4.000 9 2.000 8 1.000 5 17.000 2 89.136 80.606 73.378 67.194 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.136 80.606 73.378 67.194 61.829 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.139 80.608 73.380 67.195 61.831 57.110 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.143 80.612 73.384 67.199 61.835 57.114 52.897 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.151 80.619 73.390 67.205 61.841 57.120 52.903 49.080 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.163 80.630 73.400 67.215 61.850 57.129 52.913 49.091 45.573 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.182 80.647 73.415 67.229 61.864 57.143 52.928 49.107 45.591 42.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.208 80.670 73.437 67.249 61.884 57.164 52.949 49.130 45.617 42.329 39.177 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.245 80.702 73.466 67.277 61.911 57.191 52.978 49.161 45.653 42.371 39.230 36.142 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.292 80.744 73.505 67.314 61.947 57.228 53.016 49.203 45.699 42.426 39.299 36.234 33.175 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.354 80.799 73.555 67.362 61.994 57.275 53.065 49.256 45.759 42.496 39.387 36.351 33.327 30.356 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.432 80.868 73.619 67.422 62.053 57.334 53.128 49.323 45.834 42.584 39.496 36.498 33.524 30.545 27.935 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.491 80.920 73.668 67.468 62.098 57.380 53.175 49.374 45.891 42.650 39.579 36.608 33.674 30.723 27.685 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.574 80.994 73.736 67.533 62.161 57.443 53.241 49.446 45.970 42.742 39.693 36.760 33.884 30.996 27.838 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.655 81.066 73.803 67.597 62.223 57.505 53.306 49.515 46.047 42.831 39.803 36.905 34.085 31.272 28.175 42.951 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.733 81.137 73.868 67.659 62.283 57.566 53.369 49.583 46.122 42.917 39.908 37.043 34.274 31.539 28.563 32.514 36.750 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.810 81.206 73.932 67.719 62.342 57.625 53.430 49.648 46.194 43.000 40.008 37.173 34.452 31.792 28.955 30.007 31.363 33.934 37.654 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.884 81.273 73.994 67.779 62.400 57.683 53.490 49.712 46.264 43.080 40.104 37.296 34.619 32.028 29.329 28.914 29.354 30.357 32.076 34.437 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.957 81.338 74.055 67.837 62.456 57.739 53.548 49.774 46.332 43.157 40.196 37.412 34.773 32.244 29.673 28.326 28.353 28.693 29.437 30.638 32.234 33.969 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.027 81.402 74.115 67.893 62.511 57.794 53.605 49.834 46.398 43.231 40.284 37.521 34.916 32.441 29.983 27.981 27.781 27.780 28.029 28.574 29.432 30.549 31.787 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.096 81.465 74.174 67.949 62.565 57.848 53.660 49.893 46.463 43.304 40.369 37.624 35.047 32.618 30.255 27.771 27.431 27.230 27.198 27.366 27.756 28.370 29.167 30.066 30.958 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.163 81.526 74.231 68.003 62.618 57.901 53.714 49.950 46.525 43.374 40.449 37.721 35.168 32.776 30.491 27.643 27.211 26.882 26.674 26.609 26.706 26.975 27.409 27.981 28.640 29.321 29.969 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.228 81.586 74.287 68.056 62.670 57.952 53.767 50.006 46.586 43.442 40.527 37.812 35.279 32.917 30.692 27.570 27.073 26.656 26.332 26.115 26.018 26.053 26.224 26.524 26.932 27.415 27.937 28.462 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.292 81.645 74.342 68.109 62.720 58.003 53.819 50.061 46.645 43.507 40.602 37.898 35.381 33.041 30.859 27.534 26.990 26.511 26.105 25.783 25.554 25.427 25.409 25.501 25.697 25.982 26.336 26.735 27.158 27.592 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.354 81.702 74.395 68.160 62.770 58.052 53.869 50.114 46.703 43.571 40.673 37.980 35.475 33.150 30.998 27.525 26.945 26.420 25.955 25.557 25.234 24.992 24.838 24.776 24.804 24.919 25.109 25.364 25.667 26.007 26.376 99999.999 99999.999 99999.999 99999.999 99999.999 90.415 81.759 74.448 68.210 62.819 58.100 53.919 50.166 46.759 43.633 40.742 38.057 35.561 33.248 31.112 27.534 26.928 26.368 25.859 25.405 25.012 24.686 24.432 24.253 24.153 24.129 24.180 24.298 24.475 24.702 24.973 25.282 25.628 99999.999 99999.999 99999.999 90.474 81.814 74.500 68.259 62.867 58.148 53.967 50.217 46.814 43.694 40.809 38.131 35.642 33.335 31.207 27.558 26.931 26.344 25.801 25.305 24.860 24.471 24.141 23.875 23.674 23.542 23.476 23.475 23.535 23.650 23.816 24.029 24.286 24.586 99999.999 99999.999 90.531 81.868 74.550 68.307 62.913 58.194 54.015 50.267 46.868 43.752 40.874 38.202 35.718 33.415 31.288 27.592 26.949 26.341 25.772 25.243 24.758 24.320 23.932 23.599 23.321 23.102 22.942 22.842 22.799 22.812 22.878 22.993 23.156 23.365 23.621 23.924 90.588 81.920 74.600 68.355 62.959 58.240 54.061 50.316 46.920 43.810 40.937 38.270 35.792 33.490 31.362 27.634 26.978 26.353 25.763 25.209 24.693 24.217 23.784 23.398 23.060 22.772 22.537 22.355 22.225 22.149 22.123 22.147 22.219 22.339 22.505 22.718 91.080 82.395 75.052 68.786 63.377 58.652 54.479 50.751 47.385 44.315 41.490 38.874 36.441 34.173 32.056 28.232 27.527 26.841 26.174 25.525 24.893 24.278 23.681 23.101 22.539 21.993 21.466 20.956 20.465 19.992 19.539 19.106 18.693 18.300 17.929 17.579 91.468 82.791 75.435 69.155 63.734 59.003 54.831 51.113 47.767 44.726 41.938 39.362 36.971 34.741 32.655 28.862 28.156 27.467 26.793 26.133 25.487 24.854 24.234 23.626 23.029 22.444 21.869 21.304 20.749 20.204 19.668 19.141 18.624 18.114 17.614 17.121 91.776 83.128 75.767 69.477 64.046 59.309 55.136 51.424 48.090 45.070 42.309 39.767 37.411 35.216 33.164 29.426 28.729 28.047 27.380 26.726 26.085 25.456 24.839 24.232 23.635 23.047 22.468 21.898 21.335 20.780 20.231 19.689 19.152 18.621 18.095 17.573 92.022 83.418 76.061 69.763 64.325 59.582 55.406 51.696 48.371 45.365 42.626 40.109 37.783 35.619 33.598 29.917 29.232 28.560 27.903 27.259 26.627 26.008 25.399 24.800 24.211 23.631 23.060 22.496 21.939 21.389 20.845 20.307 19.773 19.245 18.720 18.200 92.220 83.674 76.325 70.023 64.578 59.829 55.650 51.941 48.621 45.625 42.901 40.405 38.102 35.965 33.972 30.346 29.670 29.010 28.363 27.729 27.107 26.498 25.899 25.310 24.731 24.161 23.599 23.045 22.498 21.957 21.423 20.894 20.370 19.850 19.335 18.823 92.381 83.904 76.566 70.262 64.811 60.057 55.874 52.164 48.847 45.858 43.145 40.664 38.381 36.266 34.297 30.720 30.054 29.403 28.766 28.142 27.530 26.930 26.341 25.762 25.193 24.632 24.080 23.536 22.999 22.469 21.944 21.426 20.912 20.403 19.898 19.397 92.513 84.115 76.789 70.484 65.029 60.270 56.083 52.371 49.055 46.070 43.365 40.896 38.629 36.532 34.583 31.049 30.393 29.750 29.122 28.507 27.904 27.313 26.732 26.162 25.602 25.051 24.508 23.973 23.445 22.924 22.409 21.900 21.396 20.896 20.401 19.910 99999.999 84.311 76.999 70.694 65.235 60.471 56.280 52.566 49.249 46.267 43.568 41.108 38.852 36.770 34.837 31.341 30.692 30.058 29.438 28.830 28.235 27.652 27.080 26.518 25.965 25.422 24.887 24.360 23.840 23.328 22.821 22.320 21.825 21.334 20.848 20.366 portlandite Ca(OH)2 P-T:All Wt.(g/mol) = 74.090 V(cc/mol) = 33.000 D(g/cc) = 2.245 Ref: MA07 3 1.000 9 2.000 2 -2.000 1 24.891 22.802 21.045 19.550 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.891 22.802 21.045 19.550 18.262 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.892 22.802 21.045 19.550 18.262 17.139 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.893 22.803 21.046 19.551 18.262 17.139 16.149 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.894 22.804 21.047 19.552 18.263 17.140 16.150 15.268 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.896 22.806 21.048 19.553 18.265 17.142 16.152 15.269 14.474 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.899 22.808 21.051 19.555 18.267 17.144 16.154 15.271 14.477 13.753 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.904 22.812 21.054 19.558 18.270 17.147 16.156 15.274 14.480 13.757 13.088 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.910 22.817 21.059 19.563 18.274 17.151 16.160 15.278 14.485 13.762 13.094 12.466 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.918 22.824 21.065 19.568 18.279 17.156 16.166 15.284 14.490 13.768 13.102 12.477 11.882 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.929 22.833 21.073 19.576 18.286 17.163 16.173 15.291 14.498 13.777 13.112 12.490 11.899 11.338 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.942 22.844 21.083 19.585 18.295 17.171 16.181 15.300 14.508 13.788 13.125 12.507 11.921 11.360 10.855 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.952 22.853 21.091 19.592 18.302 17.178 16.188 15.307 14.515 13.796 13.135 12.520 11.938 11.380 10.833 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.967 22.865 21.102 19.602 18.311 17.187 16.197 15.317 14.525 13.807 13.149 12.537 11.961 11.410 10.853 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.981 22.878 21.113 19.612 18.321 17.196 16.206 15.326 14.535 13.819 13.162 12.554 11.984 11.441 10.890 11.914 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 24.995 22.889 21.123 19.622 18.330 17.205 16.215 15.335 14.545 13.829 13.175 12.570 12.005 11.470 10.933 10.918 11.249 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.008 22.901 21.134 19.632 18.339 17.214 16.224 15.344 14.555 13.840 13.187 12.585 12.025 11.498 10.975 10.674 10.731 10.905 11.179 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.022 22.912 21.144 19.641 18.348 17.223 16.233 15.353 14.564 13.850 13.198 12.599 12.044 11.524 11.016 10.568 10.536 10.562 10.656 10.807 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.035 22.924 21.154 19.650 18.357 17.231 16.241 15.362 14.573 13.860 13.210 12.613 12.062 11.548 11.053 10.511 10.440 10.401 10.403 10.449 10.532 10.622 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.048 22.935 21.164 19.660 18.365 17.240 16.249 15.370 14.582 13.869 13.221 12.626 12.078 11.570 11.087 10.479 10.385 10.313 10.267 10.252 10.267 10.307 10.356 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.061 22.946 21.174 19.669 18.374 17.248 16.258 15.378 14.591 13.879 13.231 12.638 12.093 11.590 11.117 10.460 10.352 10.260 10.187 10.136 10.108 10.102 10.114 10.134 10.151 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.073 22.956 21.183 19.677 18.382 17.256 16.266 15.387 14.599 13.888 13.241 12.650 12.107 11.608 11.143 10.449 10.332 10.227 10.137 10.064 10.007 9.969 9.948 9.941 9.941 9.943 9.940 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.085 22.967 21.193 19.686 18.391 17.264 16.273 15.395 14.607 13.897 13.251 12.661 12.120 11.624 11.165 10.443 10.320 10.207 10.105 10.017 9.942 9.882 9.836 9.804 9.783 9.770 9.760 9.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.097 22.977 21.202 19.695 18.399 17.272 16.281 15.402 14.616 13.905 13.260 12.671 12.132 11.638 11.184 10.441 10.313 10.194 10.085 9.986 9.898 9.822 9.759 9.708 9.668 9.637 9.614 9.595 9.579 9.563 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 25.109 22.988 21.211 19.703 18.407 17.279 16.289 15.410 14.623 13.914 13.269 12.681 12.143 11.651 11.200 10.442 10.310 10.187 10.071 9.965 9.868 9.781 9.705 9.639 9.584 9.538 9.501 9.470 9.445 9.423 9.405 99999.999 99999.999 99999.999 99999.999 99999.999 25.121 22.998 21.220 19.712 18.415 17.287 16.296 15.418 14.631 13.922 13.278 12.691 12.154 11.662 11.213 10.444 10.310 10.183 10.063 9.952 9.848 9.753 9.667 9.590 9.523 9.464 9.414 9.371 9.336 9.305 9.280 9.259 9.241 99999.999 99999.999 99999.999 25.132 23.008 21.229 19.720 18.422 17.294 16.304 15.425 14.639 13.930 13.287 12.700 12.164 11.673 11.224 10.448 10.312 10.182 10.059 9.943 9.835 9.733 9.640 9.555 9.478 9.409 9.348 9.295 9.249 9.209 9.175 9.146 9.122 9.104 99999.999 99999.999 25.144 23.017 21.238 19.728 18.430 17.302 16.311 15.432 14.646 13.938 13.295 12.709 12.173 11.682 11.234 10.453 10.315 10.183 10.058 9.939 9.826 9.720 9.621 9.530 9.445 9.368 9.298 9.236 9.181 9.132 9.089 9.052 9.021 8.995 8.974 8.958 25.155 23.027 21.247 19.736 18.438 17.309 16.318 15.439 14.654 13.946 13.303 12.718 12.182 11.692 11.243 10.459 10.320 10.186 10.059 9.937 9.821 9.711 9.608 9.511 9.421 9.338 9.261 9.191 9.127 9.070 9.019 8.974 8.935 8.902 8.873 8.851 25.257 23.117 21.329 19.812 18.509 17.377 16.384 15.505 14.721 14.016 13.377 12.795 12.264 11.776 11.327 10.533 10.389 10.249 10.113 9.982 9.855 9.732 9.612 9.496 9.384 9.276 9.171 9.069 8.971 8.876 8.785 8.697 8.613 8.532 8.454 8.380 25.346 23.198 21.403 19.880 18.573 17.438 16.443 15.563 14.780 14.076 13.440 12.861 12.332 11.848 11.402 10.609 10.465 10.324 10.188 10.056 9.927 9.802 9.680 9.561 9.446 9.333 9.223 9.116 9.012 8.910 8.811 8.714 8.619 8.527 8.436 8.348 25.424 23.271 21.470 19.943 18.631 17.493 16.496 15.616 14.832 14.129 13.494 12.918 12.392 11.910 11.466 10.678 10.535 10.395 10.259 10.127 9.999 9.874 9.752 9.633 9.517 9.404 9.294 9.187 9.081 8.978 8.878 8.779 8.683 8.588 8.495 8.404 25.495 23.338 21.533 20.001 18.686 17.545 16.546 15.664 14.879 14.176 13.543 12.968 12.444 11.965 11.524 10.740 10.597 10.458 10.323 10.192 10.064 9.940 9.819 9.701 9.586 9.474 9.364 9.257 9.152 9.050 8.949 8.851 8.755 8.660 8.568 8.477 25.560 23.402 21.592 20.057 18.738 17.594 16.593 15.709 14.923 14.220 13.587 13.014 12.491 12.013 11.574 10.795 10.653 10.515 10.381 10.251 10.124 10.000 9.880 9.763 9.649 9.537 9.428 9.322 9.218 9.116 9.017 8.920 8.824 8.730 8.639 8.548 25.620 23.461 21.649 20.110 18.788 17.641 16.637 15.752 14.965 14.261 13.628 13.055 12.534 12.058 11.620 10.845 10.703 10.566 10.433 10.303 10.177 10.055 9.935 9.819 9.705 9.595 9.487 9.381 9.278 9.177 9.079 8.982 8.888 8.795 8.704 8.615 25.676 23.519 21.703 20.160 18.836 17.686 16.680 15.793 15.005 14.301 13.667 13.094 12.574 12.098 11.662 10.890 10.749 10.613 10.480 10.351 10.226 10.104 9.985 9.869 9.757 9.647 9.539 9.435 9.332 9.232 9.135 9.039 8.945 8.853 8.763 8.675 99999.999 23.575 21.756 20.210 18.882 17.730 16.722 15.833 15.043 14.338 13.704 13.131 12.611 12.136 11.701 10.931 10.791 10.655 10.523 10.395 10.270 10.148 10.030 9.915 9.803 9.694 9.587 9.483 9.382 9.282 9.185 9.090 8.997 8.906 8.817 8.729 stratlingite Ca2Al2SiO2(OH)10(H2O)3 P-T:All Wt.(g/mol) = 418.320 V(cc/mol) = 216.000 D(g/cc) = 1.937 Ref: MA07 5 -10.000 1 2.000 9 1.000 7 2.000 8 11.000 2 56.367 50.131 44.837 40.322 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.367 50.131 44.837 40.322 36.430 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.369 50.133 44.839 40.324 36.432 33.031 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.373 50.137 44.843 40.328 36.435 33.035 30.021 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.380 50.144 44.849 40.334 36.442 33.041 30.027 27.319 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.391 50.155 44.859 40.344 36.451 33.051 30.037 27.329 24.860 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.407 50.171 44.875 40.359 36.466 33.065 30.052 27.345 24.877 22.588 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.430 50.193 44.897 40.380 36.487 33.086 30.074 27.367 24.901 22.615 20.447 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.461 50.224 44.927 40.410 36.515 33.114 30.103 27.398 24.934 22.651 20.490 18.393 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.502 50.265 44.967 40.448 36.553 33.152 30.141 27.438 24.977 22.700 20.547 18.463 16.424 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.556 50.318 45.018 40.498 36.602 33.201 30.191 27.490 25.033 22.762 20.620 18.554 16.532 14.631 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.623 50.385 45.083 40.561 36.664 33.263 30.254 27.556 25.103 22.840 20.712 18.669 16.675 14.738 13.294 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.673 50.436 45.133 40.609 36.711 33.310 30.302 27.606 25.156 22.899 20.781 18.756 16.785 14.853 12.996 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.744 50.508 45.202 40.677 36.777 33.376 30.369 27.676 25.231 22.982 20.878 18.877 16.942 15.039 13.026 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.813 50.578 45.270 40.743 36.842 33.440 30.435 27.744 25.304 23.062 20.971 18.993 17.093 15.233 13.227 26.997 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.880 50.646 45.337 40.808 36.906 33.503 30.499 27.811 25.375 23.139 21.061 19.103 17.237 15.425 13.484 17.724 21.699 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 56.945 50.712 45.402 40.871 36.968 33.565 30.562 27.876 25.444 23.214 21.147 19.209 17.374 15.609 13.754 15.490 16.898 19.407 23.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.008 50.777 45.466 40.933 37.028 33.625 30.623 27.939 25.511 23.287 21.230 19.310 17.503 15.782 14.016 14.497 15.094 16.194 17.951 20.344 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.068 50.840 45.528 40.994 37.088 33.684 30.682 28.001 25.576 23.358 21.311 19.405 17.624 15.943 14.261 13.950 14.178 14.687 15.560 16.859 18.551 20.441 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.127 50.902 45.588 41.053 37.146 33.742 30.741 28.061 25.639 23.427 21.388 19.496 17.736 16.091 14.484 13.617 13.642 13.845 14.274 14.973 15.965 17.218 18.625 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.185 50.962 45.648 41.111 37.203 33.798 30.798 28.120 25.701 23.494 21.462 19.582 17.841 16.225 14.682 13.406 13.305 13.328 13.502 13.858 14.420 15.193 16.150 17.229 18.338 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.240 51.020 45.706 41.168 37.258 33.854 30.854 28.177 25.762 23.559 21.534 19.664 17.938 16.346 14.854 13.269 13.084 12.990 13.006 13.151 13.443 13.894 14.504 15.252 16.098 16.987 17.870 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.294 51.078 45.763 41.223 37.313 33.908 30.908 28.234 25.821 23.622 21.603 19.742 18.027 16.454 15.001 13.183 12.938 12.764 12.673 12.679 12.794 13.030 13.392 13.878 14.471 15.145 15.869 16.610 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.347 51.134 45.818 41.278 37.366 33.961 30.962 28.289 25.879 23.684 21.670 19.816 18.111 16.550 15.125 13.131 12.842 12.610 12.444 12.353 12.347 12.434 12.621 12.910 13.298 13.774 14.319 14.915 15.541 16.183 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 57.397 51.188 45.873 41.331 37.419 34.013 31.014 28.342 25.935 23.744 21.734 19.886 18.188 16.636 15.228 13.103 12.781 12.506 12.286 12.125 12.031 12.012 12.072 12.217 12.446 12.757 13.141 13.587 14.082 14.614 15.174 99999.999 99999.999 99999.999 99999.999 99999.999 57.447 51.242 45.926 41.383 37.470 34.064 31.065 28.395 25.990 23.802 21.797 19.953 18.260 16.713 15.314 13.094 12.746 12.439 12.176 11.963 11.805 11.708 11.675 11.711 11.819 11.999 12.247 12.558 12.925 13.340 13.795 14.284 14.804 99999.999 99999.999 99999.999 57.494 51.294 45.978 41.435 37.520 34.114 31.116 28.447 26.044 23.859 21.858 20.018 18.328 16.783 15.386 13.098 12.730 12.397 12.102 11.850 11.643 11.486 11.383 11.337 11.352 11.428 11.565 11.762 12.015 12.318 12.668 13.058 13.485 13.948 99999.999 99999.999 57.541 51.345 46.030 41.485 37.570 34.162 31.165 28.497 26.097 23.915 21.917 20.080 18.392 16.848 15.448 13.113 12.729 12.375 12.055 11.771 11.527 11.324 11.167 11.058 11.000 10.995 11.043 11.146 11.300 11.505 11.756 12.050 12.385 12.758 13.168 13.615 57.586 51.395 46.080 41.534 37.618 34.211 31.213 28.547 26.148 23.969 21.974 20.141 18.455 16.910 15.506 13.136 12.738 12.368 12.028 11.720 11.445 11.206 11.007 10.848 10.733 10.664 10.641 10.666 10.738 10.857 11.021 11.227 11.475 11.762 12.087 12.449 57.968 51.838 46.532 41.982 38.058 34.646 31.650 28.992 26.611 24.455 22.488 20.683 19.018 17.483 16.066 13.559 13.106 12.669 12.246 11.839 11.447 11.069 10.707 10.358 10.025 9.707 9.404 9.116 8.844 8.588 8.349 8.126 7.920 7.732 7.561 7.407 58.247 52.197 46.910 42.360 38.432 35.016 32.020 29.367 26.996 24.858 22.913 21.131 19.490 17.973 16.569 14.052 13.591 13.142 12.706 12.280 11.866 11.463 11.070 10.686 10.312 9.947 9.590 9.243 8.903 8.571 8.247 7.930 7.621 7.319 7.024 6.736 58.446 52.492 47.230 42.685 38.756 35.337 32.339 29.689 27.325 25.199 23.271 21.509 19.889 18.393 17.005 14.511 14.052 13.604 13.167 12.741 12.325 11.918 11.520 11.130 10.748 10.374 10.007 9.646 9.291 8.942 8.598 8.260 7.926 7.596 7.271 6.949 58.583 52.736 47.506 42.969 39.040 35.619 32.621 29.971 27.612 25.495 23.579 21.833 20.231 18.754 17.384 14.921 14.466 14.023 13.591 13.168 12.755 12.352 11.956 11.568 11.188 10.815 10.448 10.087 9.732 9.382 9.036 8.695 8.358 8.024 7.694 7.366 58.670 52.940 47.746 43.220 39.293 35.872 32.872 30.223 27.866 25.755 23.849 22.116 20.529 19.067 17.715 15.283 14.834 14.397 13.970 13.553 13.145 12.746 12.355 11.972 11.597 11.228 10.865 10.508 10.157 9.811 9.469 9.131 8.797 8.467 8.139 7.815 58.717 53.113 47.957 43.445 39.522 36.100 33.099 30.450 28.095 25.988 24.089 22.365 20.791 19.343 18.005 15.604 15.161 14.729 14.307 13.896 13.494 13.100 12.715 12.337 11.967 11.603 11.246 10.894 10.548 10.207 9.870 9.538 9.209 8.884 8.562 8.243 58.732 53.260 48.146 43.648 39.730 36.309 33.307 30.658 28.304 26.199 24.305 22.589 21.024 19.588 18.263 15.888 15.451 15.025 14.608 14.202 13.805 13.417 13.037 12.664 12.299 11.941 11.589 11.242 10.902 10.566 10.235 9.908 9.585 9.265 8.949 8.635 99999.999 53.388 48.316 43.834 39.921 36.502 33.500 30.850 28.496 26.393 24.502 22.791 21.234 19.808 18.494 16.143 15.710 15.289 14.878 14.476 14.084 13.701 13.326 12.958 12.598 12.244 11.897 11.556 11.220 10.889 10.563 10.241 9.923 9.608 9.297 8.989 tricarboaluminate Ca6Al2(CO3)3(OH)12(H2O)26 P-T:All Wt.(g/mol) = 1146.940 V(cc/mol) = 650.000 D(g/cc) = 1.765 Ref: MA07 5 -15.000 1 6.000 9 2.000 8 3.000 5 38.000 2 93.644 86.242 80.035 74.797 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.644 86.242 80.035 74.797 70.314 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.646 86.244 80.037 74.799 70.315 66.413 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.651 86.248 80.041 74.802 70.318 66.416 62.958 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.660 86.255 80.046 74.807 70.323 66.421 62.963 59.838 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.673 86.265 80.056 74.815 70.331 66.429 62.971 59.847 56.965 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.693 86.281 80.069 74.828 70.342 66.440 62.983 59.861 56.981 54.254 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.721 86.304 80.089 74.845 70.359 66.457 63.001 59.880 57.004 54.284 51.613 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.759 86.334 80.115 74.869 70.381 66.479 63.025 59.907 57.036 54.323 51.667 48.954 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.810 86.375 80.150 74.901 70.411 66.509 63.056 59.942 57.077 54.375 51.739 49.059 46.239 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.876 86.428 80.196 74.941 70.450 66.547 63.096 59.986 57.129 54.441 51.830 49.192 46.431 43.518 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.958 86.494 80.253 74.993 70.498 66.595 63.146 60.042 57.195 54.523 51.942 49.357 46.675 43.805 40.919 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.021 86.544 80.296 75.032 70.534 66.631 63.184 60.084 57.244 54.584 52.025 49.479 46.858 44.052 40.798 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.109 86.615 80.357 75.087 70.585 66.681 63.236 60.142 57.311 54.668 52.139 49.646 47.109 44.416 41.136 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.194 86.684 80.416 75.140 70.635 66.730 63.287 60.198 57.376 54.748 52.246 49.802 47.345 44.771 41.642 58.194 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.277 86.750 80.474 75.191 70.683 66.777 63.336 60.251 57.438 54.824 52.347 49.948 47.565 45.107 42.181 47.595 52.017 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.358 86.816 80.530 75.242 70.730 66.822 63.383 60.303 57.497 54.897 52.443 50.084 47.768 45.419 42.706 45.029 46.551 49.256 52.910 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.436 86.879 80.585 75.291 70.775 66.866 63.428 60.352 57.554 54.966 52.533 50.210 47.955 45.706 43.194 43.924 44.513 45.657 47.482 49.834 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.513 86.941 80.638 75.338 70.819 66.909 63.472 60.400 57.609 55.032 52.618 50.327 48.125 45.964 43.636 43.339 43.507 43.984 44.851 46.144 47.752 49.363 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.587 87.001 80.690 75.385 70.862 66.951 63.515 60.446 57.661 55.095 52.698 50.436 48.280 46.195 44.026 43.000 42.939 43.072 43.448 44.105 45.044 46.188 47.365 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.659 87.060 80.741 75.430 70.904 66.991 63.556 60.491 57.712 55.155 52.774 50.536 48.420 46.399 44.365 42.797 42.596 42.529 42.624 42.911 43.405 44.096 44.929 45.806 46.606 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.730 87.118 80.791 75.474 70.945 67.030 63.595 60.533 57.760 55.213 52.845 50.629 48.545 46.577 44.652 42.676 42.384 42.189 42.110 42.167 42.376 42.742 43.252 43.869 44.533 45.175 45.738 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.798 87.174 80.839 75.517 70.985 67.068 63.634 60.575 57.807 55.268 52.913 50.714 48.657 46.731 44.891 42.609 42.253 41.971 41.777 41.684 41.704 41.846 42.111 42.487 42.948 43.458 43.977 44.472 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.865 87.229 80.887 75.559 71.023 67.105 63.671 60.615 57.852 55.320 52.976 50.793 48.757 46.863 45.086 42.578 42.175 41.833 41.559 41.363 41.254 41.240 41.326 41.510 41.783 42.130 42.526 42.950 43.382 43.812 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 94.931 87.283 80.933 75.601 71.061 67.141 63.708 60.654 57.896 55.371 53.036 50.866 48.847 46.976 45.242 42.571 42.135 41.749 41.417 41.148 40.947 40.821 40.777 40.815 40.935 41.130 41.390 41.701 42.050 42.428 42.828 99999.999 99999.999 99999.999 99999.999 99999.999 94.994 87.335 80.978 75.641 71.098 67.176 63.743 60.691 57.937 55.419 53.093 50.933 48.927 47.072 45.364 42.583 42.122 41.702 41.327 41.004 40.736 40.529 40.388 40.317 40.316 40.384 40.519 40.713 40.958 41.248 41.579 41.947 42.356 99999.999 99999.999 99999.999 95.056 87.386 81.023 75.680 71.134 67.211 63.777 60.727 57.978 55.466 53.148 50.997 49.000 47.155 45.461 42.608 42.127 41.681 41.275 40.911 40.593 40.325 40.112 39.957 39.862 39.828 39.856 39.943 40.085 40.279 40.522 40.811 41.148 41.534 99999.999 99999.999 95.117 87.437 81.066 75.719 71.169 67.244 63.810 60.762 58.017 55.511 53.199 51.056 49.068 47.228 45.539 42.642 42.146 41.681 41.250 40.855 40.499 40.185 39.916 39.696 39.528 39.413 39.353 39.348 39.397 39.498 39.651 39.854 40.108 40.413 40.772 41.190 95.176 87.486 81.109 75.757 71.203 67.276 63.843 60.796 58.055 55.554 53.249 51.113 49.131 47.296 45.607 42.683 42.175 41.695 41.244 40.825 40.440 40.090 39.779 39.509 39.283 39.103 38.972 38.890 38.858 38.876 38.945 39.064 39.233 39.454 39.729 40.058 95.696 87.929 81.494 76.097 71.511 67.564 64.124 61.088 58.374 55.915 53.665 51.589 49.664 47.876 46.214 43.232 42.685 42.154 41.637 41.135 40.646 40.172 39.711 39.263 38.830 38.410 38.005 37.614 37.240 36.881 36.539 36.216 35.911 35.626 35.361 35.118 96.112 88.302 81.823 76.387 71.770 67.801 64.350 61.315 58.615 56.184 53.972 51.941 50.064 48.323 46.702 43.773 43.231 42.702 42.185 41.680 41.185 40.700 40.224 39.757 39.299 38.849 38.406 37.970 37.541 37.119 36.704 36.295 35.892 35.495 35.104 34.720 96.452 88.628 82.115 76.646 71.999 68.008 64.542 61.502 58.807 56.393 54.207 52.211 50.372 48.671 47.089 44.231 43.701 43.184 42.678 42.183 41.697 41.221 40.754 40.294 39.841 39.395 38.955 38.521 38.091 37.666 37.244 36.826 36.412 35.999 35.590 35.182 96.737 88.921 82.384 76.884 72.210 68.196 64.714 61.665 58.969 56.563 54.395 52.423 50.615 48.947 47.400 44.610 44.093 43.589 43.096 42.613 42.141 41.677 41.222 40.774 40.334 39.900 39.471 39.048 38.629 38.214 37.803 37.395 36.989 36.585 36.182 35.781 96.982 89.194 82.637 77.111 72.411 68.373 64.874 61.813 59.113 56.710 54.552 52.597 50.813 49.172 47.654 44.924 44.419 43.927 43.446 42.976 42.516 42.064 41.622 41.187 40.759 40.338 39.922 39.512 39.106 38.705 38.306 37.911 37.519 37.128 36.739 36.351 97.199 89.456 82.883 77.332 72.607 68.547 65.028 61.954 59.246 56.841 54.688 52.745 50.978 49.358 47.864 45.186 44.693 44.211 43.741 43.282 42.833 42.393 41.961 41.538 41.122 40.712 40.309 39.910 39.517 39.128 38.743 38.361 37.981 37.604 37.229 36.855 97.397 89.715 83.128 77.552 72.803 68.720 65.183 62.093 59.375 56.965 54.813 52.877 51.121 49.517 48.042 45.409 44.924 44.452 43.992 43.542 43.102 42.672 42.251 41.837 41.431 41.032 40.639 40.251 39.869 39.491 39.117 38.746 38.378 38.013 37.649 37.288 99999.999 89.977 83.374 77.774 73.002 68.897 65.339 62.234 59.504 57.087 54.932 52.998 51.249 49.657 48.197 45.600 45.123 44.659 44.207 43.765 43.334 42.912 42.499 42.094 41.696 41.306 40.921 40.543 40.170 39.801 39.436 39.075 38.717 38.362 38.008 37.657 tobermorite Ca0.833SiO2(OH)1.667(H2O)0.5 P-T:All Wt.(g/mol) = 130.830 V(cc/mol) = 59.000 D(g/cc) = 2.217 Ref: MA07 4 -1.666 1 0.833 9 1.000 7 0.166 2 11.992 11.336 10.747 10.240 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.992 11.336 10.747 10.240 9.807 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.993 11.336 10.747 10.240 9.807 9.435 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.993 11.337 10.748 10.241 9.808 9.436 9.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.995 11.338 10.749 10.242 9.809 9.437 9.114 8.828 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.997 11.340 10.751 10.245 9.812 9.439 9.116 8.831 8.575 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 11.999 11.344 10.755 10.248 9.815 9.443 9.119 8.834 8.578 8.343 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.003 11.348 10.760 10.253 9.820 9.447 9.124 8.839 8.584 8.349 8.125 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.009 11.355 10.766 10.259 9.826 9.454 9.131 8.846 8.591 8.357 8.135 7.914 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.016 11.363 10.774 10.268 9.835 9.463 9.140 8.855 8.601 8.368 8.147 7.929 7.704 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.025 11.373 10.785 10.279 9.845 9.474 9.151 8.867 8.613 8.381 8.162 7.947 7.728 7.499 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.035 11.386 10.798 10.292 9.859 9.487 9.165 8.882 8.629 8.398 8.182 7.971 7.758 7.533 7.306 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.043 11.395 10.808 10.302 9.869 9.498 9.176 8.893 8.641 8.411 8.196 7.989 7.780 7.561 7.311 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.054 11.408 10.822 10.316 9.883 9.512 9.190 8.908 8.657 8.429 8.217 8.013 7.811 7.601 7.351 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.063 11.420 10.835 10.329 9.897 9.526 9.204 8.923 8.673 8.446 8.236 8.036 7.841 7.639 7.402 8.422 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.072 11.432 10.848 10.342 9.910 9.539 9.218 8.937 8.688 8.462 8.255 8.059 7.868 7.676 7.453 7.753 8.026 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.080 11.443 10.859 10.354 9.922 9.552 9.231 8.951 8.702 8.478 8.272 8.080 7.895 7.710 7.503 7.603 7.690 7.853 8.070 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.087 11.453 10.870 10.366 9.934 9.564 9.244 8.964 8.716 8.493 8.289 8.100 7.919 7.743 7.550 7.548 7.576 7.638 7.744 7.880 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.093 11.462 10.881 10.377 9.945 9.575 9.256 8.977 8.730 8.508 8.306 8.119 7.942 7.773 7.593 7.527 7.528 7.548 7.593 7.664 7.753 7.839 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.098 11.471 10.891 10.388 9.956 9.587 9.267 8.989 8.743 8.522 8.321 8.137 7.964 7.800 7.633 7.521 7.507 7.506 7.520 7.552 7.601 7.661 7.720 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.103 11.479 10.900 10.398 9.967 9.597 9.279 9.001 8.755 8.535 8.336 8.154 7.984 7.826 7.668 7.522 7.500 7.487 7.484 7.492 7.514 7.547 7.588 7.630 7.665 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.107 11.487 10.909 10.407 9.977 9.608 9.289 9.012 8.767 8.548 8.351 8.170 8.003 7.849 7.699 7.529 7.502 7.480 7.467 7.461 7.465 7.479 7.501 7.529 7.559 7.585 7.604 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.110 11.494 10.918 10.416 9.986 9.617 9.299 9.023 8.779 8.561 8.364 8.185 8.021 7.870 7.727 7.539 7.508 7.481 7.461 7.446 7.439 7.439 7.447 7.461 7.480 7.500 7.520 7.537 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.113 11.500 10.926 10.425 9.995 9.627 9.309 9.033 8.790 8.573 8.377 8.200 8.038 7.889 7.752 7.550 7.516 7.487 7.461 7.441 7.426 7.417 7.414 7.417 7.425 7.437 7.451 7.467 7.481 7.494 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.115 11.506 10.933 10.433 10.004 9.636 9.319 9.043 8.800 8.584 8.390 8.214 8.053 7.907 7.773 7.562 7.527 7.495 7.466 7.442 7.421 7.406 7.395 7.390 7.389 7.393 7.400 7.410 7.421 7.434 7.447 99999.999 99999.999 99999.999 99999.999 99999.999 12.116 11.511 10.940 10.440 10.012 9.644 9.328 9.053 8.811 8.595 8.402 8.227 8.068 7.923 7.792 7.576 7.539 7.505 7.474 7.447 7.423 7.402 7.386 7.374 7.367 7.363 7.363 7.367 7.373 7.382 7.393 7.405 7.420 99999.999 99999.999 99999.999 12.117 11.516 10.946 10.448 10.020 9.653 9.336 9.062 8.820 8.606 8.414 8.240 8.082 7.938 7.808 7.589 7.552 7.517 7.484 7.454 7.427 7.404 7.383 7.367 7.354 7.345 7.339 7.337 7.338 7.342 7.348 7.357 7.369 7.383 99999.999 99999.999 12.117 11.520 10.952 10.455 10.027 9.660 9.345 9.071 8.830 8.616 8.425 8.252 8.095 7.953 7.823 7.603 7.565 7.529 7.495 7.464 7.435 7.409 7.385 7.365 7.348 7.334 7.324 7.316 7.312 7.311 7.313 7.318 7.326 7.336 7.350 7.367 12.117 11.524 10.958 10.461 10.034 9.668 9.353 9.079 8.839 8.626 8.436 8.264 8.108 7.966 7.837 7.617 7.578 7.542 7.507 7.474 7.444 7.416 7.391 7.368 7.347 7.330 7.315 7.304 7.295 7.290 7.287 7.288 7.291 7.298 7.307 7.320 12.084 11.538 10.992 10.505 10.085 9.725 9.415 9.146 8.913 8.707 8.524 8.361 8.213 8.079 7.958 7.746 7.707 7.670 7.634 7.600 7.566 7.533 7.501 7.470 7.440 7.411 7.383 7.356 7.330 7.305 7.281 7.258 7.236 7.216 7.197 7.179 12.008 11.515 10.992 10.519 10.108 9.754 9.450 9.187 8.960 8.760 8.585 8.428 8.288 8.162 8.048 7.849 7.813 7.778 7.744 7.712 7.680 7.648 7.618 7.588 7.559 7.531 7.503 7.475 7.448 7.421 7.395 7.370 7.344 7.319 7.295 7.271 11.896 11.462 10.966 10.509 10.108 9.762 9.464 9.208 8.986 8.793 8.623 8.474 8.341 8.221 8.114 7.928 7.895 7.862 7.831 7.801 7.771 7.742 7.714 7.687 7.660 7.634 7.608 7.582 7.557 7.532 7.508 7.483 7.459 7.435 7.412 7.388 11.756 11.386 10.919 10.479 10.090 9.752 9.462 9.211 8.996 8.809 8.645 8.502 8.375 8.262 8.161 7.988 7.957 7.927 7.898 7.870 7.843 7.817 7.791 7.766 7.741 7.717 7.694 7.671 7.648 7.625 7.603 7.581 7.559 7.537 7.515 7.494 11.594 11.290 10.854 10.433 10.056 9.728 9.445 9.202 8.992 8.811 8.653 8.516 8.395 8.288 8.193 8.031 8.003 7.975 7.948 7.923 7.898 7.874 7.850 7.827 7.805 7.783 7.762 7.741 7.721 7.700 7.680 7.660 7.641 7.621 7.602 7.582 11.411 11.177 10.775 10.373 10.010 9.692 9.417 9.181 8.977 8.802 8.650 8.518 8.403 8.302 8.212 8.061 8.035 8.009 7.985 7.961 7.938 7.916 7.895 7.874 7.854 7.834 7.815 7.796 7.778 7.760 7.742 7.724 7.706 7.689 7.672 7.654 11.213 11.050 10.682 10.301 9.953 9.646 9.379 9.150 8.953 8.783 8.637 8.511 8.401 8.305 8.221 8.080 8.056 8.032 8.010 7.988 7.967 7.947 7.928 7.909 7.891 7.873 7.856 7.839 7.822 7.806 7.790 7.774 7.758 7.743 7.727 7.712 99999.999 10.911 10.579 10.220 9.886 9.590 9.333 9.111 8.921 8.757 8.616 8.495 8.390 8.300 8.221 8.090 8.067 8.046 8.025 8.005 7.986 7.968 7.950 7.933 7.917 7.901 7.885 7.870 7.855 7.841 7.826 7.812 7.798 7.785 7.771 7.757 C4AH13 Ca4Al2(OH)14(H2O)6 P-T:All Wt.(g/mol) = 560.470 V(cc/mol) = 274.000 D(g/cc) = 2.046 Ref: MA07 4 -14.000 1 4.000 9 2.000 8 20.000 2 114.767 104.346 95.591 88.157 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.767 104.346 95.591 88.157 81.760 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.769 104.347 95.593 88.158 81.762 76.184 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.773 104.351 95.596 88.161 81.765 76.187 71.256 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.779 104.356 95.601 88.166 81.769 76.191 71.261 66.846 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.789 104.365 95.609 88.174 81.777 76.199 71.269 66.854 62.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.804 104.378 95.621 88.185 81.788 76.210 71.281 66.867 62.864 59.177 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.824 104.397 95.639 88.202 81.804 76.226 71.298 66.885 62.884 59.201 55.744 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.853 104.423 95.663 88.225 81.826 76.248 71.320 66.910 62.911 59.233 55.784 52.482 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.890 104.457 95.694 88.255 81.855 76.277 71.350 66.942 62.948 59.276 55.838 52.552 49.377 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.939 104.501 95.735 88.293 81.892 76.315 71.389 66.984 62.994 59.330 55.906 52.642 49.490 46.533 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 114.999 104.556 95.787 88.342 81.940 76.362 71.438 67.036 63.052 59.397 55.991 52.756 49.639 46.639 44.279 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.046 104.599 95.826 88.379 81.976 76.397 71.475 67.076 63.096 59.448 56.054 52.842 49.755 46.762 43.890 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.110 104.658 95.881 88.431 82.026 76.448 71.527 67.131 63.157 59.519 56.143 52.961 49.919 46.964 43.902 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.173 104.716 95.935 88.482 82.075 76.496 71.577 67.185 63.216 59.587 56.227 53.074 50.076 47.176 44.127 60.310 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.233 104.772 95.987 88.531 82.123 76.544 71.626 67.236 63.273 59.653 56.308 53.181 50.226 47.386 44.422 48.835 53.579 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.292 104.826 96.038 88.580 82.169 76.590 71.673 67.287 63.328 59.716 56.385 53.282 50.366 47.587 44.732 46.020 47.601 50.540 54.841 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.349 104.880 96.088 88.627 82.215 76.635 71.719 67.335 63.381 59.777 56.458 53.378 50.497 47.774 45.034 44.745 45.320 46.523 48.536 51.316 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.405 104.931 96.136 88.673 82.259 76.679 71.764 67.383 63.433 59.835 56.528 53.467 50.618 47.946 45.313 44.025 44.142 44.612 45.536 46.987 48.912 51.063 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.459 104.982 96.184 88.717 82.302 76.721 71.807 67.429 63.483 59.892 56.595 53.551 50.729 48.101 45.564 43.574 43.438 43.527 43.900 44.611 45.685 47.077 48.647 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.511 105.031 96.230 88.761 82.344 76.763 71.850 67.473 63.532 59.946 56.659 53.629 50.830 48.240 45.783 43.276 42.981 42.845 42.903 43.190 43.734 44.540 45.572 46.746 47.950 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.562 105.079 96.275 88.804 82.385 76.803 71.891 67.517 63.579 59.999 56.720 53.702 50.922 48.362 45.970 43.071 42.671 42.389 42.249 42.273 42.484 42.894 43.502 44.279 45.173 46.117 47.047 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.611 105.126 96.320 88.846 82.426 76.843 71.931 67.559 63.624 60.049 56.778 53.771 51.006 48.468 46.126 42.930 42.454 42.072 41.799 41.649 41.640 41.784 42.087 42.544 43.134 43.823 44.570 45.336 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.659 105.172 96.363 88.887 82.465 76.881 71.970 67.600 63.669 60.098 56.833 53.835 51.081 48.560 46.252 42.832 42.301 41.846 41.479 41.209 41.048 41.007 41.093 41.309 41.648 42.096 42.631 43.227 43.859 44.508 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 115.705 105.217 96.405 88.927 82.503 76.919 72.008 67.640 63.712 60.146 56.886 53.895 51.149 48.639 46.353 42.765 42.192 41.684 41.247 40.890 40.620 40.446 40.375 40.412 40.556 40.803 41.141 41.557 42.034 42.557 43.113 99999.999 99999.999 99999.999 99999.999 99999.999 115.751 105.261 96.446 88.966 82.541 76.956 72.046 67.679 63.753 60.192 56.937 53.951 51.212 48.707 46.432 42.722 42.117 41.567 41.078 40.655 40.304 40.033 39.846 39.748 39.742 39.827 39.999 40.251 40.574 40.956 41.388 41.863 42.378 99999.999 99999.999 99999.999 115.795 105.303 96.487 89.004 82.578 76.992 72.082 67.717 63.794 60.236 56.986 54.005 51.269 48.767 46.493 42.697 42.066 41.483 40.953 40.480 40.068 39.723 39.448 39.248 39.126 39.083 39.119 39.231 39.413 39.661 39.966 40.322 40.727 41.175 99999.999 99999.999 115.837 105.345 96.526 89.042 82.614 77.027 72.117 67.754 63.834 60.279 57.033 54.056 51.322 48.820 46.543 42.685 42.033 41.425 40.863 40.350 39.891 39.488 39.145 38.866 38.653 38.510 38.436 38.431 38.493 38.619 38.804 39.045 39.337 39.679 40.067 40.503 115.879 105.386 96.565 89.079 82.649 77.062 72.152 67.790 63.872 60.321 57.079 54.105 51.374 48.870 46.587 42.684 42.015 41.386 40.798 40.254 39.757 39.309 38.913 38.571 38.288 38.064 37.901 37.800 37.760 37.781 37.859 37.993 38.179 38.416 38.701 39.034 116.236 105.749 96.914 89.410 82.966 77.370 72.460 68.107 64.210 60.687 57.477 54.536 51.828 49.332 47.028 42.940 42.199 41.482 40.789 40.119 39.471 38.845 38.242 37.661 37.101 36.564 36.048 35.555 35.085 34.638 34.213 33.812 33.435 33.081 32.752 32.446 116.507 106.046 97.205 89.689 83.232 77.628 72.715 68.366 64.480 60.976 57.792 54.878 52.197 49.722 47.429 43.321 42.568 41.834 41.120 40.425 39.748 39.088 38.444 37.816 37.203 36.604 36.020 35.449 34.891 34.346 33.813 33.292 32.782 32.284 31.797 31.320 116.712 106.295 97.456 89.930 83.463 77.850 72.931 68.583 64.703 61.213 58.048 55.157 52.500 50.046 47.773 43.686 42.933 42.200 41.484 40.786 40.104 39.438 38.786 38.149 37.524 36.913 36.312 35.723 35.145 34.576 34.017 33.466 32.923 32.389 31.861 31.340 116.868 106.508 97.676 90.144 83.667 78.046 73.121 68.771 64.894 61.412 58.261 55.387 52.751 50.319 48.065 44.011 43.263 42.534 41.823 41.128 40.449 39.785 39.135 38.499 37.875 37.263 36.662 36.072 35.491 34.919 34.356 33.801 33.253 32.711 32.176 31.647 116.985 106.694 97.873 90.338 83.853 78.223 73.292 68.938 65.062 61.585 58.443 55.583 52.963 50.549 48.314 44.295 43.553 42.830 42.124 41.435 40.761 40.103 39.458 38.826 38.207 37.599 37.002 36.416 35.839 35.271 34.711 34.159 33.613 33.075 32.542 32.015 117.074 106.861 98.054 90.516 84.025 78.387 73.450 69.091 65.214 61.739 58.602 55.752 53.146 50.747 48.528 44.542 43.807 43.090 42.390 41.707 41.039 40.386 39.747 39.121 38.507 37.905 37.314 36.733 36.161 35.598 35.044 34.497 33.958 33.425 32.898 32.377 117.142 107.016 98.224 90.685 84.187 78.542 73.598 69.234 65.353 61.879 58.746 55.902 53.306 50.919 48.715 44.758 44.028 43.317 42.623 41.946 41.284 40.637 40.003 39.383 38.775 38.178 37.593 37.017 36.452 35.895 35.346 34.805 34.272 33.745 33.224 32.709 99999.999 107.163 98.385 90.845 84.342 78.690 73.739 69.369 65.485 62.009 58.878 56.038 53.449 51.072 48.879 44.948 44.224 43.518 42.829 42.157 41.500 40.858 40.230 39.615 39.012 38.421 37.841 37.271 36.710 36.159 35.616 35.081 34.553 34.031 33.516 33.007 C2AH8 Ca2Al2(OH)10(H2O)3 P-T:All Wt.(g/mol) = 358.240 V(cc/mol) = 184.000 D(g/cc) = 1.947 Ref: MA07 4 -10.000 1 2.000 9 2.000 8 13.000 2 67.110 60.188 54.363 49.411 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 67.110 60.188 54.363 49.411 45.146 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 67.112 60.190 54.365 49.413 45.147 41.422 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 67.115 60.193 54.368 49.416 45.150 41.425 38.125 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 67.121 60.199 54.373 49.421 45.155 41.430 38.130 35.167 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 67.131 60.208 54.381 49.429 45.163 41.437 38.138 35.175 32.478 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 67.145 60.221 54.394 49.441 45.174 41.449 38.150 35.188 32.492 29.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 67.165 60.240 54.412 49.458 45.191 41.466 38.167 35.206 32.512 30.022 27.671 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 67.192 60.265 54.436 49.481 45.214 41.488 38.190 35.230 32.539 30.052 27.708 25.448 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 67.229 60.300 54.469 49.512 45.244 41.518 38.221 35.263 32.574 30.092 27.756 25.509 23.329 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 67.275 60.344 54.510 49.552 45.283 41.557 38.261 35.305 32.620 30.144 27.818 25.589 23.424 21.406 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 67.335 60.400 54.564 49.603 45.332 41.606 38.311 35.358 32.677 30.208 27.896 25.689 23.549 21.491 19.968 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 67.380 60.443 54.604 49.642 45.370 41.644 38.350 35.398 32.721 30.258 27.955 25.764 23.648 21.591 19.643 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 67.444 60.504 54.662 49.697 45.424 41.697 38.404 35.455 32.782 30.326 28.037 25.870 23.787 21.756 19.642 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 67.506 60.563 54.718 49.751 45.476 41.749 38.457 35.511 32.841 30.393 28.116 25.970 23.921 21.931 19.818 33.630 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 67.567 60.622 54.774 49.804 45.527 41.800 38.508 35.565 32.899 30.457 28.192 26.067 24.050 22.105 20.052 24.188 28.205 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 67.626 60.679 54.828 49.856 45.578 41.850 38.559 35.617 32.956 30.519 28.265 26.158 24.172 22.273 20.302 21.894 23.301 25.831 29.523 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 67.684 60.735 54.881 49.907 45.627 41.898 38.608 35.669 33.011 30.580 28.336 26.246 24.286 22.430 20.545 20.860 21.442 22.538 24.306 26.725 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 67.741 60.789 54.934 49.957 45.676 41.946 38.657 35.719 33.064 30.639 28.403 26.328 24.393 22.575 20.773 20.281 20.487 20.980 21.847 23.150 24.857 26.772 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 67.796 60.843 54.985 50.006 45.723 41.993 38.704 35.768 33.116 30.696 28.468 26.406 24.492 22.708 20.979 19.922 19.920 20.101 20.514 21.204 22.196 23.456 24.878 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 67.851 60.896 55.036 50.054 45.770 42.039 38.751 35.816 33.167 30.751 28.531 26.480 24.583 22.828 21.160 19.686 19.555 19.552 19.706 20.046 20.597 21.366 22.326 23.412 24.533 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 67.904 60.948 55.085 50.102 45.816 42.085 38.797 35.863 33.217 30.805 28.591 26.550 24.667 22.935 21.317 19.528 19.311 19.188 19.179 19.303 19.578 20.018 20.622 21.368 22.216 23.112 24.004 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 67.956 60.999 55.134 50.149 45.861 42.129 38.841 35.910 33.266 30.858 28.649 26.616 24.745 23.029 21.449 19.422 19.143 18.938 18.819 18.800 18.895 19.114 19.464 19.940 20.529 21.202 21.928 22.673 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.007 61.049 55.182 50.195 45.906 42.173 38.885 35.955 33.313 30.909 28.705 26.678 24.816 23.113 21.559 19.351 19.027 18.762 18.566 18.448 18.418 18.484 18.654 18.930 19.308 19.776 20.318 20.912 21.538 22.182 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 68.056 61.098 55.229 50.240 45.949 42.216 38.928 35.999 33.360 30.959 28.759 26.738 24.882 23.187 21.649 19.306 18.947 18.638 18.386 18.196 18.076 18.033 18.073 18.200 18.415 18.714 19.089 19.529 20.020 20.550 21.108 99999.999 99999.999 99999.999 99999.999 99999.999 68.105 61.147 55.276 50.285 45.993 42.258 38.971 36.043 33.406 31.008 28.812 26.794 24.943 23.252 21.722 19.281 18.895 18.552 18.256 18.012 17.826 17.703 17.647 17.663 17.753 17.917 18.153 18.454 18.813 19.221 19.671 20.156 20.673 99999.999 99999.999 99999.999 68.153 61.194 55.322 50.328 46.035 42.300 39.012 36.085 33.450 31.055 28.863 26.849 25.000 23.310 21.781 19.269 18.862 18.493 18.164 17.879 17.642 17.457 17.329 17.261 17.255 17.313 17.435 17.618 17.859 18.153 18.494 18.877 19.299 19.756 99999.999 99999.999 68.200 61.241 55.367 50.372 46.077 42.341 39.053 36.127 33.494 31.102 28.912 26.901 25.054 23.364 21.832 19.269 18.845 18.454 18.099 17.781 17.505 17.274 17.089 16.956 16.875 16.850 16.880 16.966 17.106 17.298 17.538 17.823 18.149 18.515 18.918 19.359 68.246 61.287 55.411 50.414 46.118 42.381 39.093 36.168 33.537 31.147 28.960 26.952 25.106 23.415 21.877 19.278 18.840 18.431 18.055 17.712 17.405 17.136 16.908 16.723 16.583 16.491 16.448 16.455 16.510 16.614 16.764 16.959 17.196 17.473 17.789 18.142 68.659 61.712 55.824 50.811 46.500 42.754 39.464 36.544 33.926 31.557 29.394 27.409 25.581 23.894 22.337 19.582 19.085 18.605 18.141 17.693 17.262 16.847 16.448 16.065 15.698 15.348 15.013 14.696 14.395 14.112 13.846 13.598 13.368 13.156 12.963 12.787 69.004 62.083 56.189 51.163 46.839 43.083 39.788 36.869 34.259 31.903 29.759 27.794 25.985 24.313 22.764 19.989 19.481 18.986 18.505 18.037 17.581 17.136 16.703 16.281 15.870 15.469 15.077 14.695 14.322 13.958 13.602 13.255 12.917 12.586 12.263 11.947 69.297 62.414 56.519 51.483 47.148 43.382 40.080 37.159 34.551 32.204 30.073 28.125 26.333 24.678 23.142 20.382 19.873 19.378 18.895 18.423 17.963 17.513 17.073 16.643 16.221 15.808 15.403 15.005 14.615 14.231 13.853 13.481 13.115 12.753 12.397 12.045 69.550 62.714 56.823 51.779 47.433 43.657 40.348 37.422 34.815 32.472 30.351 28.415 26.638 24.998 23.477 20.740 20.235 19.742 19.262 18.792 18.334 17.885 17.446 17.016 16.595 16.181 15.775 15.375 14.982 14.595 14.214 13.837 13.466 13.098 12.735 12.375 69.772 62.992 57.107 52.056 47.701 43.915 40.598 37.667 35.058 32.717 30.601 28.674 26.909 25.281 23.774 21.062 20.561 20.073 19.597 19.132 18.677 18.232 17.796 17.370 16.951 16.540 16.137 15.740 15.350 14.965 14.586 14.211 13.842 13.476 13.114 12.756 69.970 63.252 57.376 52.320 47.955 44.160 40.834 37.898 35.285 32.944 30.830 28.910 27.153 25.537 24.041 21.353 20.857 20.373 19.901 19.440 18.989 18.549 18.117 17.695 17.280 16.874 16.474 16.081 15.695 15.314 14.939 14.568 14.203 13.841 13.484 13.129 70.150 63.500 57.633 52.572 48.199 44.395 41.061 38.118 35.500 33.157 31.044 29.128 27.377 25.769 24.283 21.616 21.124 20.645 20.177 19.720 19.274 18.837 18.410 17.991 17.581 17.178 16.783 16.394 16.012 15.636 15.265 14.899 14.538 14.181 13.827 13.478 99999.999 63.740 57.881 52.816 48.436 44.623 41.280 38.329 35.707 33.360 31.247 29.332 27.585 25.983 24.505 21.856 21.368 20.892 20.428 19.975 19.533 19.100 18.676 18.262 17.855 17.456 17.065 16.680 16.302 15.929 15.563 15.201 14.844 14.491 14.142 13.797 C3A Ca3Al2O6 P-T:All Wt.(g/mol) = 270.190 V(cc/mol) = 89.000 D(g/cc) = 3.036 Ref: MA07 4 -12.000 1 3.000 9 2.000 8 6.000 2 130.319 116.779 105.286 95.423 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.319 116.779 105.286 95.423 86.858 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.322 116.782 105.289 95.426 86.860 79.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.328 116.787 105.294 95.431 86.865 79.339 72.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.337 116.797 105.302 95.439 86.873 79.347 72.658 66.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.353 116.811 105.316 95.452 86.886 79.360 72.671 66.663 61.209 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.377 116.833 105.337 95.472 86.906 79.379 72.691 66.684 61.232 56.225 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.411 116.864 105.366 95.500 86.933 79.407 72.720 66.714 61.264 56.261 51.601 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.457 116.907 105.407 95.539 86.971 79.445 72.759 66.755 61.308 56.310 51.658 47.258 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.518 116.964 105.460 95.591 87.022 79.495 72.810 66.809 61.367 56.375 51.734 47.351 43.172 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.598 117.038 105.530 95.658 87.087 79.561 72.877 66.879 61.442 56.459 51.832 47.471 43.314 39.424 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.699 117.132 105.619 95.743 87.171 79.644 72.963 66.969 61.538 56.565 51.955 47.623 43.501 39.577 36.312 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.776 117.204 105.687 95.808 87.235 79.708 73.028 67.037 61.610 56.645 52.049 47.738 43.646 39.730 36.008 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.885 117.305 105.783 95.901 87.325 79.799 73.120 67.133 61.713 56.758 52.179 47.898 43.850 39.973 36.084 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 130.992 117.406 105.878 95.992 87.414 79.887 73.211 67.227 61.813 56.868 52.306 48.053 44.048 40.224 36.350 48.907 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.097 117.504 105.971 96.082 87.502 79.975 73.299 67.319 61.911 56.975 52.428 48.202 44.237 40.472 36.678 38.568 42.479 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.200 117.601 106.063 96.170 87.588 80.060 73.387 67.410 62.007 57.079 52.547 48.344 44.418 40.710 37.018 36.104 37.148 39.432 42.977 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.301 117.696 106.154 96.257 87.673 80.145 73.472 67.499 62.101 57.181 52.662 48.481 44.589 40.935 37.349 35.032 35.169 35.882 37.339 39.506 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.400 117.789 106.243 96.343 87.757 80.228 73.556 67.586 62.193 57.281 52.773 48.611 44.750 41.145 37.659 34.458 34.185 34.238 34.711 35.669 37.069 38.688 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.498 117.882 106.330 96.427 87.839 80.310 73.639 67.671 62.283 57.378 52.881 48.736 44.902 41.339 37.942 34.123 33.624 33.338 33.316 33.607 34.235 35.161 36.260 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.593 117.972 106.417 96.510 87.920 80.390 73.721 67.755 62.371 57.472 52.985 48.856 45.044 41.517 38.196 33.923 33.285 32.799 32.495 32.406 32.557 32.954 33.564 34.312 35.098 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.687 118.061 106.502 96.592 88.000 80.469 73.801 67.838 62.458 57.565 53.087 48.970 45.178 41.680 38.420 33.806 33.075 32.460 31.980 31.657 31.510 31.552 31.780 32.169 32.673 33.231 33.785 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.779 118.149 106.586 96.673 88.079 80.547 73.880 67.919 62.543 57.656 53.185 49.080 45.303 41.828 38.615 33.744 32.947 32.244 31.647 31.171 30.828 30.632 30.587 30.688 30.918 31.245 31.633 32.046 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.869 118.236 106.668 96.753 88.157 80.624 73.957 67.999 62.626 57.744 53.281 49.185 45.420 41.962 38.784 33.719 32.875 32.109 31.430 30.847 30.370 30.009 29.771 29.657 29.663 29.774 29.971 30.230 30.530 30.854 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 131.958 118.321 106.750 96.831 88.233 80.700 74.034 68.077 62.708 57.831 53.374 49.286 45.530 42.085 38.928 33.721 32.841 32.029 31.289 30.630 30.058 29.580 29.203 28.930 28.761 28.692 28.714 28.813 28.973 29.183 29.429 99999.999 99999.999 99999.999 99999.999 99999.999 132.046 118.405 106.831 96.909 88.309 80.775 74.109 68.154 62.789 57.916 53.465 49.383 45.635 42.196 39.052 33.743 32.836 31.987 31.203 30.487 29.844 29.280 28.801 28.409 28.108 27.895 27.769 27.722 27.745 27.828 27.964 28.146 28.369 99999.999 99999.999 99999.999 132.132 118.488 106.910 96.986 88.384 80.849 74.183 68.231 62.868 58.000 53.554 49.477 45.734 42.300 39.159 33.780 32.850 31.975 31.155 30.396 29.700 29.072 28.515 28.034 27.630 27.305 27.058 26.886 26.785 26.749 26.772 26.848 26.973 27.144 99999.999 99999.999 132.216 118.570 106.988 97.061 88.457 80.922 74.256 68.305 62.946 58.082 53.641 49.569 45.830 42.397 39.256 33.827 32.881 31.983 31.137 30.344 29.607 28.929 28.314 27.763 27.280 26.866 26.522 26.247 26.040 25.896 25.813 25.786 25.812 25.888 26.013 26.187 132.299 118.651 107.066 97.136 88.530 80.994 74.329 68.379 63.023 58.162 53.726 49.658 45.922 42.491 39.347 33.883 32.923 32.008 31.140 30.321 29.551 28.835 28.173 27.569 27.023 26.539 26.117 25.758 25.461 25.225 25.047 24.925 24.858 24.841 24.875 24.957 133.060 119.401 107.790 97.836 89.212 81.666 75.002 69.064 63.729 58.901 54.503 50.476 46.774 43.365 40.220 34.635 33.621 32.638 31.687 30.766 29.874 29.011 28.177 27.370 26.592 25.841 25.117 24.421 23.752 23.111 22.497 21.910 21.352 20.821 20.317 19.841 133.715 120.067 108.440 98.466 89.827 82.270 75.602 69.670 64.349 59.544 55.175 51.180 47.512 44.131 41.009 35.436 34.417 33.426 32.464 31.528 30.617 29.731 28.869 28.029 27.211 26.414 25.638 24.881 24.143 23.423 22.722 22.038 21.371 20.720 20.085 19.466 134.287 120.665 109.030 99.042 90.388 82.821 76.149 70.217 64.905 60.115 55.767 51.799 48.159 44.807 41.711 36.178 35.164 34.178 33.219 32.286 31.377 30.491 29.627 28.784 27.962 27.159 26.375 25.608 24.858 24.124 23.405 22.701 22.011 21.335 20.671 20.019 134.793 121.210 109.573 99.573 90.907 83.331 76.652 70.719 65.411 60.631 56.300 52.352 48.735 45.408 42.337 36.849 35.844 34.866 33.914 32.988 32.085 31.205 30.347 29.510 28.693 27.894 27.114 26.350 25.603 24.871 24.154 23.450 22.760 22.083 21.417 20.763 135.246 121.713 110.078 100.069 91.392 83.806 77.121 71.185 65.879 61.105 56.785 52.853 49.255 45.950 42.900 37.456 36.459 35.489 34.546 33.627 32.733 31.861 31.010 30.181 29.371 28.579 27.806 27.049 26.309 25.584 24.873 24.177 23.493 22.822 22.162 21.514 135.656 122.181 110.552 100.536 91.850 84.254 77.562 71.622 66.316 61.546 57.233 53.312 49.730 46.442 43.412 38.007 37.018 36.056 35.120 34.210 33.323 32.458 31.616 30.794 29.991 29.208 28.442 27.693 26.961 26.243 25.541 24.852 24.176 23.513 22.861 22.221 136.031 122.622 111.000 100.978 92.283 84.680 77.980 72.036 66.727 61.959 57.650 53.738 50.167 46.894 43.880 38.510 37.528 36.573 35.645 34.741 33.861 33.004 32.168 31.354 30.559 29.782 29.024 28.282 27.557 26.848 26.152 25.471 24.803 24.148 23.505 22.872 99999.999 123.039 111.426 101.399 92.697 85.085 78.379 72.429 67.118 62.349 58.044 54.137 50.575 47.312 44.311 38.972 37.996 37.047 36.125 35.228 34.355 33.504 32.675 31.867 31.078 30.308 29.556 28.822 28.103 27.400 26.712 26.038 25.377 24.729 24.092 23.468 C4AF Ca4Al2Fe2O10 P-T:All Wt.(g/mol) = 485.960 V(cc/mol) = 130.000 D(g/cc) = 3.738 Ref: MA07 7 -17.750 1 -0.250 6 4.000 9 2.000 8 2.000 11 0.250 4 9.000 2 175.616 157.467 142.039 128.791 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 175.616 157.467 142.039 128.791 117.281 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 175.620 157.471 142.043 128.795 117.285 107.167 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 175.629 157.479 142.050 128.802 117.292 107.174 98.178 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 175.643 157.492 142.062 128.813 117.303 107.186 98.190 90.102 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 175.665 157.513 142.082 128.832 117.321 107.204 98.209 90.122 82.773 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 175.699 157.544 142.111 128.860 117.349 107.231 98.237 90.151 82.805 76.045 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 175.747 157.588 142.152 128.900 117.388 107.270 98.277 90.194 82.851 76.097 69.786 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 175.813 157.648 142.209 128.954 117.441 107.324 98.332 90.252 82.914 76.168 69.870 63.884 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 175.901 157.728 142.284 129.026 117.512 107.395 98.405 90.329 82.998 76.262 69.980 64.021 58.301 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 176.014 157.832 142.382 129.120 117.604 107.487 98.500 90.429 83.105 76.382 70.123 64.198 58.516 53.139 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 176.158 157.964 142.507 129.240 117.721 107.604 98.620 90.556 83.242 76.534 70.302 64.421 58.795 53.387 48.770 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 176.267 158.066 142.602 129.331 117.810 107.694 98.712 90.652 83.345 76.650 70.437 64.590 59.010 53.625 48.406 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 176.422 158.209 142.737 129.461 117.937 107.821 98.842 90.788 83.491 76.812 70.626 64.825 59.313 53.995 48.576 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 176.574 158.349 142.869 129.588 118.062 107.945 98.969 90.922 83.634 76.969 70.809 65.050 59.604 54.372 49.000 66.082 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 176.722 158.486 142.999 129.713 118.184 108.067 99.094 91.052 83.773 77.122 70.986 65.267 59.883 54.740 49.500 52.154 57.407 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 176.867 158.622 143.127 129.836 118.304 108.187 99.216 91.179 83.909 77.271 71.156 65.474 60.148 55.093 50.012 48.841 50.234 53.284 57.958 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 177.009 158.754 143.253 129.957 118.422 108.305 99.336 91.304 84.042 77.416 71.321 65.672 60.398 55.426 50.507 47.415 47.583 48.524 50.453 53.297 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 177.149 158.885 143.376 130.076 118.538 108.421 99.454 91.427 84.172 77.558 71.481 65.861 60.634 55.736 50.967 46.662 46.277 46.330 46.943 48.198 50.020 52.088 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 177.285 159.013 143.498 130.192 118.653 108.534 99.570 91.547 84.299 77.696 71.636 66.042 60.855 56.022 51.388 46.234 45.545 45.141 45.090 45.455 46.264 47.454 48.845 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 177.419 159.139 143.618 130.307 118.765 108.646 99.683 91.664 84.424 77.831 71.785 66.214 61.063 56.284 51.764 45.986 45.110 44.438 44.009 43.866 44.041 44.538 45.307 46.242 47.201 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 177.550 159.262 143.735 130.421 118.876 108.756 99.795 91.780 84.546 77.962 71.930 66.379 61.257 56.523 52.095 45.850 44.850 44.005 43.340 42.885 42.663 42.689 42.959 43.435 44.051 44.722 45.370 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 177.678 159.384 143.851 130.532 118.984 108.864 99.904 91.893 84.665 78.090 72.071 66.537 61.439 56.740 52.384 45.786 44.699 43.737 42.916 42.254 41.772 41.482 41.392 41.493 41.758 42.144 42.600 43.078 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 177.805 159.504 143.965 130.642 119.092 108.971 100.012 92.005 84.783 78.216 72.208 66.688 61.609 56.937 52.633 45.773 44.622 43.576 42.645 41.842 41.181 40.673 40.328 40.145 40.118 40.227 40.444 40.737 41.077 41.441 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 177.928 159.622 144.077 130.750 119.197 109.076 100.118 92.114 84.898 78.339 72.340 66.833 61.769 57.116 52.846 45.794 44.597 43.489 42.478 41.574 40.785 40.122 39.592 39.199 38.944 38.819 38.810 38.900 39.069 39.297 39.572 99999.999 99999.999 99999.999 99999.999 99999.999 178.050 159.737 144.188 130.857 119.302 109.179 100.223 92.222 85.010 78.459 72.469 66.972 61.919 57.280 53.030 45.841 44.608 43.453 42.383 41.403 40.521 39.744 39.078 38.529 38.098 37.785 37.584 37.486 37.479 37.551 37.689 37.886 38.138 99999.999 99999.999 99999.999 178.169 159.851 144.297 130.962 119.404 109.281 100.326 92.328 85.121 78.576 72.595 67.107 62.063 57.431 53.189 45.908 44.646 43.455 42.339 41.303 40.350 39.488 38.720 38.052 37.486 37.025 36.666 36.406 36.238 36.156 36.151 36.215 36.345 36.537 99999.999 99999.999 178.285 159.964 144.405 131.066 119.505 109.381 100.427 92.432 85.230 78.692 72.718 67.238 62.200 57.573 53.332 45.988 44.704 43.485 42.333 41.253 40.247 39.319 38.473 37.713 37.043 36.465 35.978 35.583 35.277 35.055 34.913 34.846 34.849 34.920 35.056 35.259 178.400 160.074 144.510 131.168 119.605 109.480 100.527 92.534 85.337 78.805 72.839 67.365 62.334 57.709 53.466 46.079 44.777 43.536 42.356 41.241 40.193 39.214 38.307 37.477 36.724 36.053 35.464 34.958 34.535 34.192 33.927 33.737 33.618 33.569 33.588 33.673 179.440 161.094 145.494 132.119 120.534 110.399 101.450 93.478 86.318 79.837 73.932 68.523 63.550 58.967 54.737 47.219 45.851 44.526 43.243 41.999 40.794 39.627 38.497 37.405 36.349 35.330 34.347 33.400 32.489 31.615 30.777 29.975 29.211 28.484 27.793 27.140 180.317 161.985 146.364 132.965 121.360 111.214 102.265 94.304 87.168 80.724 74.866 69.509 64.590 60.056 55.868 48.387 47.018 45.688 44.394 43.136 41.912 40.719 39.558 38.427 37.325 36.250 35.203 34.181 33.184 32.211 31.262 30.336 29.432 28.550 27.689 26.848 181.067 162.773 147.144 133.727 122.106 111.950 102.997 95.042 87.922 81.504 75.681 70.367 65.493 61.006 56.860 49.452 48.094 46.774 45.489 44.239 43.020 41.832 40.674 39.544 38.440 37.363 36.309 35.279 34.270 33.283 32.316 31.368 30.439 29.526 28.631 27.751 181.714 163.480 147.852 134.423 122.789 112.622 103.665 95.712 88.602 82.203 76.406 71.125 66.290 61.843 57.738 50.405 49.062 47.755 46.483 45.245 44.039 42.863 41.716 40.597 39.503 38.435 37.390 36.368 35.368 34.387 33.426 32.483 31.557 30.647 29.753 28.874 182.281 164.122 148.502 135.065 123.420 113.244 104.281 96.328 89.224 82.837 77.061 71.806 67.002 62.589 58.520 51.258 49.929 48.636 47.378 46.153 44.960 43.797 42.664 41.557 40.477 39.421 38.389 37.380 36.391 35.423 34.474 33.543 32.629 31.731 30.849 29.981 182.782 164.711 149.104 135.662 124.008 113.824 104.855 96.901 89.800 83.422 77.659 72.425 67.646 63.262 59.223 52.026 50.709 49.429 48.184 46.972 45.792 44.642 43.521 42.427 41.360 40.317 39.298 38.301 37.326 36.371 35.435 34.517 33.616 32.732 31.863 31.009 183.228 165.257 149.666 136.222 124.561 114.369 105.394 97.437 90.338 83.965 78.213 72.993 68.234 63.874 59.862 52.721 51.416 50.148 48.914 47.714 46.545 45.407 44.297 43.215 42.160 41.129 40.122 39.137 38.174 37.231 36.307 35.402 34.514 33.643 32.787 31.946 99999.999 165.768 150.196 136.751 125.084 114.885 105.904 97.944 90.844 84.474 78.729 73.521 68.777 64.436 60.446 53.355 52.060 50.801 49.578 48.388 47.230 46.102 45.003 43.932 42.887 41.866 40.870 39.896 38.944 38.012 37.100 36.206 35.329 34.469 33.625 32.795 C4AF Ca4Al2Fe2O10 P-T:All Wt.(g/mol) = 485.960 V(cc/mol) = 130.000 D(g/cc) = 3.738 Ref: MA07 6 -18.000 1 4.000 9 2.000 8 2.000 11 9.000 2 0.500 31 137.591 122.888 110.429 99.763 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.591 122.888 110.429 99.763 90.519 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.595 122.892 110.433 99.766 90.522 82.413 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.603 122.899 110.439 99.772 90.528 82.419 75.218 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.616 122.911 110.450 99.783 90.539 82.430 75.228 68.757 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.636 122.929 110.468 99.800 90.555 82.446 75.246 68.776 62.895 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.667 122.957 110.494 99.825 90.580 82.471 75.271 68.803 62.925 57.509 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.711 122.997 110.531 99.861 90.615 82.506 75.308 68.842 62.967 57.557 52.487 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.770 123.051 110.583 99.910 90.664 82.555 75.358 68.895 63.025 57.622 52.564 47.736 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.850 123.124 110.651 99.975 90.728 82.619 75.425 68.966 63.101 57.708 52.666 47.863 43.237 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.952 123.218 110.739 100.060 90.811 82.703 75.511 69.057 63.200 57.819 52.797 48.026 43.433 39.118 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 138.082 123.337 110.851 100.167 90.916 82.809 75.620 69.172 63.325 57.959 52.962 48.232 43.690 39.328 35.803 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 138.181 123.428 110.936 100.250 90.997 82.890 75.703 69.260 63.420 58.065 53.087 48.388 43.888 39.540 35.371 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 138.321 123.556 111.058 100.366 91.111 83.004 75.821 69.384 63.553 58.213 53.261 48.605 44.168 39.876 35.474 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 138.457 123.682 111.176 100.480 91.223 83.117 75.936 69.505 63.683 58.358 53.430 48.814 44.439 40.223 35.846 55.413 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 138.590 123.805 111.293 100.593 91.333 83.227 76.049 69.623 63.810 58.498 53.592 49.015 44.698 40.565 36.303 40.950 46.781 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 138.720 123.926 111.407 100.703 91.441 83.335 76.159 69.739 63.934 58.635 53.750 49.206 44.944 40.893 36.779 37.480 39.306 42.852 48.117 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 138.847 124.045 111.520 100.811 91.547 83.440 76.268 69.852 64.055 58.767 53.902 49.389 45.176 41.203 37.240 35.963 36.518 37.870 40.248 43.593 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 138.971 124.161 111.630 100.917 91.651 83.544 76.374 69.963 64.173 58.897 54.048 49.564 45.395 41.492 37.671 35.147 35.126 35.553 36.558 38.230 40.500 43.048 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 139.093 124.275 111.738 101.021 91.753 83.646 76.478 70.072 64.289 59.023 54.190 49.731 45.600 41.758 38.064 34.668 34.329 34.280 34.592 35.334 36.535 38.137 39.960 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 139.212 124.387 111.845 101.124 91.853 83.747 76.580 70.178 64.402 59.146 54.327 49.890 45.792 42.001 38.415 34.378 33.844 33.514 33.431 33.641 34.177 35.046 36.200 37.532 38.897 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 139.328 124.497 111.949 101.224 91.952 83.845 76.681 70.283 64.513 59.265 54.460 50.041 45.971 42.222 38.724 34.205 33.540 33.030 32.700 32.582 32.702 33.077 33.702 34.541 35.527 36.574 37.600 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 139.442 124.605 112.052 101.324 92.049 83.942 76.779 70.385 64.621 59.382 54.589 50.186 46.138 42.422 38.992 34.110 33.353 32.718 32.224 31.890 31.736 31.779 32.024 32.466 33.076 33.811 34.619 35.449 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 139.553 124.710 112.153 101.421 92.145 84.037 76.876 70.485 64.728 59.496 54.713 50.324 46.294 42.603 39.221 34.067 33.243 32.520 31.910 31.427 31.085 30.898 30.874 31.016 31.316 31.755 32.304 32.929 33.600 34.293 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 139.662 124.814 112.252 101.517 92.239 84.131 76.971 70.584 64.832 59.608 54.834 50.457 46.441 42.767 39.417 34.062 33.188 32.399 31.705 31.115 30.639 30.287 30.069 29.989 30.048 30.237 30.545 30.952 31.436 31.978 32.564 99999.999 99999.999 99999.999 99999.999 99999.999 139.768 124.917 112.350 101.612 92.331 84.223 77.065 70.681 64.934 59.717 54.952 50.584 46.579 42.916 39.583 34.085 33.172 32.334 31.576 30.906 30.331 29.860 29.498 29.252 29.125 29.116 29.219 29.424 29.721 30.094 30.531 31.024 31.566 99999.999 99999.999 99999.999 139.873 125.017 112.446 101.705 92.422 84.314 77.156 70.776 65.034 59.824 55.067 50.707 46.709 43.053 39.726 34.128 33.185 32.308 31.502 30.771 30.122 29.559 29.090 28.719 28.449 28.282 28.218 28.252 28.377 28.585 28.869 29.219 29.631 30.101 99999.999 99999.999 139.975 125.116 112.541 101.796 92.512 84.403 77.247 70.869 65.132 59.929 55.178 50.826 46.834 43.181 39.853 34.187 33.220 32.312 31.468 30.690 29.983 29.352 28.799 28.331 27.951 27.660 27.461 27.351 27.329 27.390 27.528 27.738 28.015 28.356 28.759 29.223 140.075 125.213 112.634 101.886 92.600 84.491 77.336 70.961 65.229 60.031 55.288 50.942 46.956 43.304 39.972 34.258 33.271 32.339 31.465 30.650 29.898 29.212 28.595 28.051 27.584 27.195 26.887 26.660 26.514 26.446 26.454 26.534 26.683 26.897 27.176 27.516 140.971 126.100 113.494 102.721 93.418 85.303 78.156 71.804 66.109 60.962 56.279 51.994 48.060 44.443 41.115 35.236 34.175 33.149 32.158 31.201 30.278 29.387 28.529 27.703 26.909 26.147 25.417 24.720 24.055 23.422 22.823 22.257 21.724 21.225 20.760 20.329 141.707 126.861 114.244 103.455 94.138 86.017 78.873 72.535 66.866 61.756 57.119 52.885 49.002 45.431 42.138 36.283 35.216 34.180 33.175 32.198 31.249 30.327 29.430 28.558 27.710 26.885 26.082 25.300 24.539 23.798 23.077 22.374 21.690 21.025 20.376 19.745 142.318 127.524 114.908 104.108 94.782 86.655 79.511 73.182 67.531 62.449 57.847 53.655 49.817 46.290 43.037 37.245 36.187 35.159 34.160 33.188 32.242 31.321 30.424 29.549 28.696 27.864 27.050 26.255 25.478 24.718 23.973 23.244 22.529 21.828 21.139 20.463 142.829 128.108 115.503 104.699 95.365 87.233 80.089 73.765 68.126 63.064 58.490 54.331 50.531 47.043 43.830 38.108 37.063 36.047 35.059 34.099 33.163 32.252 31.364 30.498 29.653 28.827 28.020 27.231 26.459 25.702 24.961 24.233 23.519 22.817 22.127 21.448 143.260 128.629 116.042 105.238 95.900 87.763 80.617 74.297 68.666 63.619 59.066 54.934 51.165 47.711 44.533 38.880 37.848 36.845 35.870 34.921 33.998 33.099 32.223 31.368 30.534 29.720 28.924 28.146 27.384 26.638 25.907 25.190 24.485 23.793 23.113 22.443 143.627 129.099 116.536 105.734 96.393 88.253 81.106 74.787 69.163 64.126 59.589 55.478 51.735 48.310 45.163 39.572 38.552 37.562 36.599 35.662 34.751 33.864 33.000 32.157 31.335 30.533 29.749 28.982 28.233 27.498 26.779 26.074 25.381 24.702 24.033 23.376 143.941 129.527 116.991 106.195 96.854 88.711 81.562 75.244 69.623 64.594 60.069 55.975 52.253 48.852 45.731 40.196 39.188 38.208 37.257 36.332 35.432 34.556 33.703 32.871 32.060 31.269 30.496 29.741 29.003 28.280 27.573 26.879 26.199 25.531 24.874 24.229 99999.999 129.922 117.415 106.626 97.285 89.141 81.991 75.672 70.055 65.031 60.515 56.434 52.728 49.347 46.249 40.763 39.764 38.795 37.853 36.938 36.049 35.183 34.340 33.519 32.718 31.937 31.175 30.430 29.702 28.990 28.292 27.609 26.940 26.283 25.637 25.003 CAH10 CaAl2(OH)8(H2O)6 P-T:All Wt.(g/mol) = 338.190 V(cc/mol) = 194.000 D(g/cc) = 1.743 Ref: MA07 4 -8.000 1 1.000 9 2.000 8 14.000 2 42.856 38.253 34.388 31.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.856 38.253 34.388 31.112 28.297 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.857 38.254 34.389 31.113 28.298 25.841 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.859 38.256 34.391 31.115 28.300 25.843 23.665 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.863 38.260 34.394 31.119 28.303 25.846 23.668 21.705 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.869 38.265 34.400 31.124 28.308 25.852 23.673 21.711 19.916 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.878 38.274 34.408 31.132 28.316 25.859 23.681 21.720 19.925 18.254 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.890 38.286 34.420 31.143 28.327 25.870 23.692 21.732 19.939 18.269 16.676 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.907 38.303 34.436 31.158 28.342 25.885 23.708 21.748 19.957 18.290 16.702 15.152 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.930 38.325 34.457 31.179 28.362 25.905 23.728 21.770 19.981 18.317 16.736 15.196 13.687 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.959 38.354 34.485 31.205 28.388 25.931 23.755 21.798 20.011 18.352 16.779 15.252 13.754 12.370 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 42.996 38.390 34.520 31.239 28.420 25.963 23.788 21.833 20.050 18.397 16.834 15.324 13.845 12.419 11.473 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.024 38.418 34.546 31.264 28.445 25.988 23.813 21.860 20.079 18.430 16.875 15.378 13.916 12.487 11.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.063 38.457 34.584 31.300 28.480 26.022 23.849 21.897 20.120 18.476 16.932 15.454 14.018 12.607 11.116 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.102 38.495 34.621 31.335 28.514 26.056 23.883 21.933 20.159 18.521 16.986 15.526 14.117 12.736 11.237 24.168 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.139 38.532 34.656 31.370 28.547 26.089 23.917 21.969 20.197 18.564 17.038 15.594 14.212 12.866 11.412 15.689 19.406 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.175 38.569 34.691 31.403 28.580 26.121 23.949 22.003 20.234 18.606 17.088 15.659 14.301 12.992 11.603 13.614 14.989 17.373 20.821 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.210 38.604 34.726 31.436 28.612 26.153 23.981 22.036 20.270 18.646 17.136 15.720 14.384 13.109 11.791 12.664 13.300 14.395 16.094 18.389 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.244 38.639 34.759 31.469 28.643 26.183 24.012 22.069 20.305 18.685 17.182 15.778 14.460 13.217 11.966 12.121 12.420 12.973 13.860 15.140 16.789 18.640 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.277 38.673 34.792 31.500 28.673 26.213 24.043 22.100 20.339 18.723 17.226 15.832 14.531 13.315 12.124 11.775 11.887 12.160 12.638 13.364 14.362 15.605 17.001 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.310 38.706 34.825 31.531 28.703 26.243 24.072 22.131 20.372 18.759 17.267 15.882 14.595 13.402 12.261 11.541 11.536 11.643 11.888 12.298 12.896 13.690 14.658 15.744 16.870 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.341 38.739 34.856 31.562 28.733 26.271 24.101 22.161 20.404 18.794 17.307 15.929 14.654 13.479 12.378 11.377 11.293 11.292 11.390 11.605 11.954 12.449 13.091 13.862 14.728 15.641 16.555 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.372 38.771 34.887 31.591 28.761 26.300 24.130 22.191 20.435 18.828 17.346 15.974 14.707 13.545 12.475 11.259 11.120 11.044 11.043 11.128 11.313 11.608 12.019 12.544 13.169 13.872 14.624 15.396 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.402 38.802 34.918 31.621 28.789 26.327 24.157 22.219 20.466 18.861 17.382 16.015 14.755 13.602 12.553 11.175 10.994 10.864 10.792 10.788 10.860 11.016 11.264 11.605 12.037 12.550 13.129 13.756 14.413 15.086 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 43.431 38.833 34.948 31.649 28.817 26.354 24.185 22.247 20.495 18.893 17.418 16.054 14.799 13.652 12.615 11.114 10.901 10.731 10.607 10.538 10.528 10.585 10.714 10.920 11.203 11.561 11.986 12.468 12.997 13.560 14.148 99999.999 99999.999 99999.999 99999.999 99999.999 43.460 38.863 34.977 31.678 28.844 26.381 24.211 22.275 20.524 18.925 17.451 16.091 14.838 13.694 12.662 11.071 10.833 10.631 10.469 10.350 10.280 10.263 10.306 10.410 10.579 10.813 11.110 11.464 11.869 12.318 12.804 13.320 13.863 99999.999 99999.999 99999.999 43.487 38.892 35.006 31.705 28.871 26.407 24.237 22.302 20.553 18.955 17.484 16.126 14.875 13.730 12.698 11.041 10.784 10.557 10.364 10.207 10.091 10.019 9.995 10.022 10.104 10.241 10.433 10.679 10.976 11.318 11.702 12.121 12.574 13.058 99999.999 99999.999 43.515 38.921 35.035 31.733 28.897 26.433 24.263 22.328 20.580 18.984 17.516 16.159 14.909 13.763 12.726 11.022 10.749 10.502 10.285 10.098 9.946 9.831 9.756 9.723 9.737 9.797 9.906 10.063 10.266 10.514 10.804 11.133 11.497 11.894 12.323 12.784 43.541 38.950 35.062 31.760 28.923 26.458 24.288 22.353 20.607 19.013 17.546 16.192 14.941 13.794 12.751 11.011 10.725 10.462 10.225 10.015 9.834 9.684 9.569 9.490 9.449 9.449 9.490 9.574 9.700 9.867 10.074 10.320 10.601 10.916 11.264 11.644 43.774 39.209 35.319 32.006 29.160 26.688 24.515 22.584 20.847 19.268 17.818 16.480 15.238 14.086 13.018 11.119 10.775 10.443 10.122 9.813 9.515 9.228 8.953 8.690 8.438 8.199 7.972 7.757 7.555 7.366 7.191 7.029 6.881 6.748 6.629 6.524 43.959 39.431 35.543 32.223 29.368 26.887 24.710 22.779 21.047 19.477 18.041 16.716 15.487 14.343 13.276 11.345 10.988 10.640 10.300 9.969 9.645 9.328 9.019 8.717 8.421 8.132 7.849 7.572 7.301 7.035 6.775 6.520 6.270 6.025 5.786 5.551 44.110 39.627 35.744 32.419 29.555 27.067 24.884 22.949 21.219 19.655 18.228 16.914 15.697 14.564 13.505 11.576 11.217 10.865 10.522 10.185 9.854 9.531 9.212 8.900 8.592 8.290 7.992 7.698 7.407 7.121 6.837 6.557 6.279 6.004 5.731 5.460 44.234 39.803 35.929 32.600 29.728 27.231 25.042 23.104 21.372 19.810 18.389 17.085 15.878 14.755 13.705 11.789 11.431 11.081 10.738 10.401 10.071 9.746 9.426 9.112 8.802 8.497 8.196 7.898 7.603 7.311 7.022 6.736 6.451 6.168 5.886 5.606 44.339 39.966 36.103 32.770 29.891 27.386 25.190 23.246 21.512 19.951 18.533 17.235 16.036 14.922 13.881 11.981 11.626 11.278 10.937 10.602 10.274 9.951 9.633 9.320 9.011 8.707 8.406 8.109 7.815 7.523 7.234 6.947 6.662 6.379 6.097 5.816 44.429 40.121 36.268 32.933 30.047 27.535 25.331 23.382 21.643 20.081 18.664 17.369 16.177 15.070 14.038 12.153 11.801 11.456 11.118 10.786 10.459 10.139 9.823 9.513 9.206 8.904 8.606 8.311 8.019 7.729 7.442 7.158 6.875 6.594 6.314 6.035 44.510 40.269 36.428 33.091 30.199 27.678 25.467 23.511 21.769 20.203 18.786 17.493 16.305 15.204 14.178 12.308 11.958 11.616 11.281 10.951 10.628 10.310 9.997 9.689 9.385 9.086 8.790 8.497 8.208 7.921 7.637 7.355 7.075 6.796 6.519 6.244 99999.999 40.416 36.585 33.245 30.347 27.820 25.600 23.638 21.890 20.321 18.902 17.610 16.423 15.326 14.305 12.448 12.101 11.761 11.428 11.101 10.780 10.465 10.155 9.849 9.548 9.251 8.957 8.667 8.380 8.096 7.815 7.535 7.258 6.982 6.708 6.435 mascagnite (NH4)2SO4 P-T:All Wt.(g/mol) = 132.141 V(cc/mol) = 74.680 D(g/cc) = 1.769 Ref: RH95 2 2.000 32 1.000 4 -0.200 -0.023 0.013 -0.035 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.200 -0.023 0.013 -0.035 -0.146 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.199 -0.023 0.014 -0.035 -0.146 -0.308 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.198 -0.022 0.015 -0.034 -0.145 -0.307 -0.515 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.195 -0.020 0.016 -0.033 -0.143 -0.305 -0.513 -0.767 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.191 -0.017 0.019 -0.030 -0.141 -0.303 -0.511 -0.764 -1.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.185 -0.012 0.022 -0.027 -0.137 -0.299 -0.506 -0.759 -1.058 -1.412 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.176 -0.006 0.028 -0.022 -0.132 -0.293 -0.500 -0.752 -1.049 -1.401 -1.821 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.164 0.003 0.035 -0.015 -0.125 -0.286 -0.492 -0.742 -1.037 -1.386 -1.801 -2.311 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.149 0.014 0.045 -0.005 -0.116 -0.276 -0.481 -0.729 -1.022 -1.366 -1.774 -2.272 -2.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.128 0.029 0.058 0.007 -0.104 -0.263 -0.467 -0.712 -1.002 -1.341 -1.741 -2.224 -2.830 -3.655 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.102 0.048 0.074 0.022 -0.089 -0.247 -0.448 -0.691 -0.977 -1.309 -1.699 -2.164 -2.739 -3.497 -4.722 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.082 0.063 0.087 0.034 -0.077 -0.234 -0.435 -0.675 -0.958 -1.285 -1.668 -2.121 -2.674 -3.388 -4.473 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.054 0.084 0.104 0.050 -0.060 -0.217 -0.415 -0.653 -0.931 -1.252 -1.625 -2.062 -2.586 -3.247 -4.198 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.026 0.104 0.122 0.067 -0.044 -0.199 -0.396 -0.631 -0.905 -1.220 -1.584 -2.006 -2.506 -3.122 -3.973 -6.872 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.001 0.124 0.139 0.083 -0.027 -0.182 -0.377 -0.609 -0.880 -1.190 -1.545 -1.953 -2.431 -3.008 -3.779 -5.405 -6.353 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.027 0.144 0.156 0.099 -0.011 -0.165 -0.358 -0.588 -0.855 -1.160 -1.507 -1.903 -2.361 -2.906 -3.609 -4.965 -5.507 -6.263 -7.392 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.054 0.163 0.173 0.115 0.004 -0.149 -0.340 -0.568 -0.831 -1.131 -1.471 -1.856 -2.297 -2.812 -3.459 -4.693 -5.109 -5.617 -6.271 -7.141 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.079 0.183 0.190 0.130 0.020 -0.133 -0.323 -0.548 -0.808 -1.103 -1.436 -1.812 -2.236 -2.726 -3.325 -4.489 -4.842 -5.249 -5.731 -6.318 -7.046 -7.940 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.104 0.201 0.206 0.145 0.035 -0.117 -0.305 -0.528 -0.785 -1.076 -1.403 -1.769 -2.180 -2.648 -3.206 -4.323 -4.637 -4.988 -5.385 -5.844 -6.383 -7.020 -7.767 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.129 0.220 0.222 0.161 0.050 -0.101 -0.288 -0.509 -0.763 -1.050 -1.371 -1.729 -2.127 -2.576 -3.099 -4.182 -4.469 -4.783 -5.129 -5.517 -5.955 -6.456 -7.028 -7.676 -8.397 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.153 0.238 0.238 0.176 0.065 -0.085 -0.271 -0.490 -0.741 -1.024 -1.340 -1.690 -2.078 -2.510 -3.004 -4.058 -4.325 -4.612 -4.925 -5.267 -5.645 -6.064 -6.533 -7.055 -7.631 -8.259 -8.928 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.177 0.256 0.253 0.190 0.080 -0.070 -0.254 -0.471 -0.720 -0.999 -1.310 -1.653 -2.031 -2.449 -2.919 -3.948 -4.198 -4.466 -4.753 -5.063 -5.400 -5.768 -6.170 -6.611 -7.093 -7.614 -8.172 -8.759 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.201 0.274 0.269 0.205 0.094 -0.055 -0.238 -0.453 -0.699 -0.975 -1.281 -1.618 -1.988 -2.393 -2.843 -3.847 -4.085 -4.336 -4.605 -4.891 -5.198 -5.529 -5.887 -6.273 -6.690 -7.137 -7.614 -8.117 -8.641 -9.177 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.224 0.292 0.284 0.219 0.109 -0.040 -0.222 -0.435 -0.678 -0.951 -1.253 -1.585 -1.947 -2.341 -2.775 -3.754 -3.981 -4.220 -4.473 -4.741 -5.026 -5.329 -5.654 -6.001 -6.372 -6.767 -7.185 -7.626 -8.085 -8.557 -9.038 99999.999 99999.999 99999.999 99999.999 99999.999 0.246 0.309 0.299 0.233 0.123 -0.025 -0.206 -0.418 -0.659 -0.928 -1.226 -1.552 -1.907 -2.293 -2.713 -3.669 -3.886 -4.114 -4.354 -4.607 -4.874 -5.157 -5.456 -5.774 -6.111 -6.467 -6.842 -7.236 -7.645 -8.067 -8.499 -8.934 -9.370 99999.999 99999.999 99999.999 0.269 0.326 0.314 0.248 0.137 -0.011 -0.191 -0.400 -0.639 -0.905 -1.200 -1.521 -1.870 -2.248 -2.657 -3.588 -3.798 -4.017 -4.246 -4.487 -4.739 -5.005 -5.285 -5.580 -5.890 -6.216 -6.559 -6.916 -7.287 -7.670 -8.061 -8.458 -8.857 -9.253 99999.999 99999.999 0.290 0.343 0.329 0.261 0.151 0.004 -0.175 -0.383 -0.620 -0.883 -1.174 -1.491 -1.835 -2.205 -2.606 -3.513 -3.716 -3.927 -4.147 -4.377 -4.617 -4.869 -5.132 -5.409 -5.698 -6.001 -6.318 -6.647 -6.988 -7.339 -7.698 -8.063 -8.431 -8.799 -9.163 -9.522 0.312 0.359 0.344 0.275 0.164 0.018 -0.160 -0.367 -0.601 -0.862 -1.149 -1.462 -1.800 -2.165 -2.558 -3.443 -3.639 -3.843 -4.055 -4.275 -4.505 -4.745 -4.995 -5.257 -5.529 -5.813 -6.109 -6.415 -6.732 -7.057 -7.390 -7.729 -8.071 -8.415 -8.756 -9.094 0.508 0.514 0.480 0.405 0.293 0.151 -0.019 -0.212 -0.429 -0.667 -0.926 -1.205 -1.504 -1.821 -2.157 -2.888 -3.045 -3.205 -3.369 -3.537 -3.709 -3.886 -4.066 -4.251 -4.440 -4.634 -4.832 -5.034 -5.240 -5.450 -5.663 -5.880 -6.100 -6.322 -6.546 -6.772 0.677 0.651 0.604 0.523 0.410 0.271 0.108 -0.076 -0.280 -0.501 -0.740 -0.995 -1.266 -1.551 -1.851 -2.493 -2.628 -2.766 -2.906 -3.049 -3.194 -3.342 -3.492 -3.645 -3.801 -3.959 -4.120 -4.283 -4.449 -4.618 -4.788 -4.961 -5.137 -5.314 -5.493 -5.674 0.822 0.773 0.716 0.631 0.518 0.381 0.222 0.046 -0.148 -0.356 -0.580 -0.817 -1.066 -1.329 -1.602 -2.183 -2.304 -2.427 -2.552 -2.679 -2.808 -2.938 -3.070 -3.204 -3.340 -3.478 -3.618 -3.759 -3.903 -4.048 -4.195 -4.344 -4.495 -4.647 -4.801 -4.956 0.949 0.884 0.819 0.731 0.618 0.482 0.328 0.157 -0.028 -0.227 -0.438 -0.661 -0.894 -1.138 -1.392 -1.927 -2.038 -2.151 -2.265 -2.380 -2.497 -2.615 -2.735 -2.856 -2.979 -3.103 -3.229 -3.356 -3.484 -3.614 -3.746 -3.879 -4.013 -4.149 -4.286 -4.425 1.062 0.985 0.915 0.824 0.711 0.577 0.426 0.260 0.081 -0.109 -0.311 -0.522 -0.742 -0.972 -1.209 -1.708 -1.812 -1.916 -2.022 -2.129 -2.237 -2.346 -2.457 -2.569 -2.682 -2.796 -2.911 -3.028 -3.146 -3.265 -3.385 -3.507 -3.630 -3.754 -3.879 -4.006 1.164 1.079 1.004 0.912 0.799 0.667 0.519 0.357 0.183 -0.001 -0.194 -0.396 -0.606 -0.824 -1.048 -1.518 -1.615 -1.713 -1.813 -1.913 -2.014 -2.116 -2.220 -2.324 -2.429 -2.536 -2.644 -2.752 -2.862 -2.973 -3.085 -3.198 -3.312 -3.428 -3.544 -3.662 1.255 1.167 1.088 0.995 0.882 0.752 0.606 0.447 0.278 0.099 -0.087 -0.281 -0.482 -0.690 -0.904 -1.350 -1.442 -1.535 -1.629 -1.723 -1.819 -1.916 -2.013 -2.112 -2.211 -2.311 -2.413 -2.515 -2.619 -2.723 -2.829 -2.935 -3.043 -3.151 -3.261 -3.372 99999.999 1.249 1.168 1.073 0.961 0.832 0.689 0.533 0.368 0.194 0.013 -0.175 -0.369 -0.568 -0.773 -1.199 -1.287 -1.375 -1.464 -1.555 -1.646 -1.738 -1.830 -1.924 -2.019 -2.114 -2.211 -2.308 -2.406 -2.505 -2.606 -2.707 -2.809 -2.912 -3.017 -3.122 niter KNO3 P-T:All Wt.(g/mol) = 101.103 V(cc/mol) = 48.040 D(g/cc) = 2.105 Ref: RH95 6 -1.000 1 -1.000 2 -1.000 6 1.000 32 1.000 4 1.000 12 93.169 85.242 78.445 72.563 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.169 85.242 78.445 72.563 67.418 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.170 85.243 78.446 72.564 67.419 62.875 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.172 85.245 78.448 72.565 67.421 62.877 58.826 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.176 85.248 78.451 72.568 67.423 62.879 58.828 55.186 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.183 85.253 78.456 72.572 67.427 62.883 58.833 55.190 51.886 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.192 85.261 78.463 72.579 67.434 62.889 58.839 55.196 51.893 48.871 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.206 85.273 78.473 72.588 67.443 62.898 58.848 55.206 51.903 48.882 46.089 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.225 85.289 78.487 72.601 67.455 62.910 58.860 55.218 51.917 48.897 46.107 43.496 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.251 85.310 78.505 72.619 67.471 62.926 58.876 55.235 51.934 48.917 46.130 43.525 41.046 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.284 85.337 78.530 72.641 67.493 62.947 58.897 55.257 51.957 48.942 46.160 43.563 41.099 38.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.326 85.372 78.561 72.670 67.520 62.974 58.924 55.284 51.987 48.974 46.197 43.610 41.163 38.792 36.321 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.359 85.399 78.585 72.692 67.542 62.995 58.945 55.306 52.009 48.999 46.226 43.644 41.209 38.862 36.467 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.405 85.437 78.619 72.724 67.572 63.024 58.974 55.336 52.041 49.034 46.265 43.693 41.273 38.954 36.633 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.451 85.475 78.653 72.755 67.602 63.054 59.003 55.366 52.072 49.068 46.304 43.739 41.332 39.038 36.770 31.963 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.496 85.513 78.686 72.786 67.631 63.082 59.032 55.395 52.103 49.101 46.341 43.783 41.388 39.114 36.891 32.787 31.678 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.541 85.550 78.719 72.817 67.660 63.111 59.061 55.424 52.133 49.133 46.377 43.825 41.441 39.185 36.998 33.043 32.159 31.174 29.998 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.585 85.587 78.752 72.847 67.689 63.139 59.089 55.453 52.163 49.165 46.413 43.866 41.491 39.251 37.094 33.207 32.392 31.544 30.631 29.614 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.629 85.623 78.785 72.878 67.718 63.167 59.116 55.481 52.192 49.196 46.447 43.906 41.539 39.312 37.182 33.333 32.553 31.761 30.943 30.082 29.157 28.156 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.672 85.659 78.817 72.908 67.747 63.195 59.144 55.509 52.221 49.227 46.480 43.944 41.584 39.369 37.261 33.438 32.680 31.918 31.147 30.357 29.537 28.678 27.771 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.715 85.695 78.849 72.937 67.775 63.222 59.171 55.536 52.250 49.257 46.513 43.981 41.627 39.423 37.333 33.529 32.786 32.045 31.301 30.551 29.787 29.003 28.193 27.353 26.486 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.757 85.730 78.881 72.967 67.803 63.250 59.198 55.563 52.278 49.287 46.545 44.016 41.669 39.473 37.399 33.611 32.879 32.152 31.427 30.702 29.972 29.232 28.479 27.710 26.923 26.119 25.304 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.799 85.766 78.913 72.996 67.831 63.276 59.225 55.590 52.306 49.316 46.577 44.051 41.708 39.520 37.459 33.686 32.962 32.246 31.535 30.827 30.120 29.409 28.693 27.968 27.234 26.489 25.736 24.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.841 85.800 78.944 73.025 67.858 63.303 59.251 55.617 52.333 49.344 46.607 44.085 41.746 39.565 37.514 33.754 33.038 32.330 31.630 30.935 30.244 29.554 28.862 28.168 27.470 26.766 26.058 25.346 24.634 23.925 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 93.882 85.835 78.975 73.054 67.885 63.330 59.277 55.643 52.360 49.373 46.637 44.118 41.783 39.607 37.565 33.818 33.108 32.408 31.716 31.031 30.352 29.677 29.004 28.331 27.658 26.984 26.308 25.631 24.955 24.281 23.613 99999.999 99999.999 99999.999 99999.999 99999.999 93.922 85.869 79.005 73.082 67.913 63.356 59.303 55.669 52.387 49.401 46.667 44.149 41.818 39.647 37.612 33.878 33.173 32.479 31.794 31.118 30.448 29.785 29.125 28.469 27.815 27.162 26.510 25.860 25.211 24.566 23.925 23.291 22.667 99999.999 99999.999 99999.999 93.963 85.903 79.036 73.110 67.939 63.382 59.329 55.695 52.413 49.428 46.696 44.181 41.852 39.685 37.656 33.935 33.234 32.545 31.866 31.197 30.535 29.881 29.233 28.589 27.949 27.313 26.680 26.049 25.422 24.799 24.180 23.568 22.965 22.371 99999.999 99999.999 94.003 85.937 79.066 73.138 67.966 63.408 59.354 55.721 52.439 49.455 46.724 44.211 41.885 39.722 37.697 33.989 33.292 32.607 31.934 31.270 30.615 29.969 29.329 28.696 28.068 27.444 26.825 26.211 25.600 24.994 24.394 23.800 23.214 22.636 22.069 21.514 94.042 85.970 79.096 73.166 67.993 63.433 59.380 55.746 52.465 49.482 46.753 44.241 41.918 39.757 37.737 34.041 33.347 32.666 31.997 31.338 30.689 30.049 29.417 28.792 28.173 27.561 26.953 26.351 25.754 25.162 24.577 23.997 23.426 22.862 22.308 21.765 94.420 86.292 79.386 73.435 68.248 63.680 59.621 55.987 52.709 49.733 47.014 44.517 42.212 40.074 38.082 34.467 33.794 33.137 32.493 31.863 31.246 30.641 30.047 29.463 28.891 28.328 27.774 27.230 26.694 26.166 25.647 25.136 24.633 24.137 23.649 23.169 94.768 86.592 79.657 73.688 68.488 63.911 59.847 56.211 52.933 49.960 47.248 44.760 42.466 40.342 38.368 34.797 34.136 33.490 32.859 32.242 31.639 31.049 30.471 29.905 29.350 28.807 28.273 27.750 27.236 26.731 26.235 25.748 25.269 24.798 24.335 23.880 95.094 86.875 79.915 73.928 68.715 64.130 60.060 56.421 53.142 50.171 47.462 44.980 42.694 40.580 38.617 35.075 34.420 33.782 33.159 32.550 31.955 31.374 30.806 30.249 29.705 29.172 28.650 28.138 27.636 27.143 26.660 26.186 25.720 25.263 24.814 24.372 95.402 87.144 80.161 74.158 68.933 64.339 60.263 56.620 53.340 50.368 47.662 45.183 42.902 40.795 38.840 35.318 34.668 34.035 33.417 32.814 32.225 31.649 31.087 30.537 30.000 29.474 28.958 28.454 27.960 27.475 27.000 26.534 26.077 25.629 25.188 24.756 95.694 87.402 80.397 74.378 69.142 64.539 60.458 56.810 53.527 50.555 47.849 45.372 43.095 40.993 39.043 35.537 34.890 34.260 33.646 33.047 32.462 31.891 31.333 30.788 30.255 29.734 29.224 28.724 28.235 27.756 27.287 26.827 26.376 25.933 25.499 25.072 95.974 87.650 80.624 74.591 69.344 64.733 60.645 56.992 53.707 50.733 48.027 45.551 43.276 41.177 39.232 35.736 35.092 34.465 33.854 33.257 32.675 32.107 31.553 31.011 30.482 29.964 29.458 28.962 28.477 28.002 27.537 27.081 26.634 26.196 25.766 25.344 96.243 87.890 80.844 74.797 69.539 64.920 60.826 57.169 53.880 50.904 48.197 45.721 43.448 41.350 39.408 35.921 35.279 34.654 34.044 33.450 32.871 32.305 31.753 31.214 30.687 30.172 29.668 29.176 28.694 28.222 27.760 27.307 26.863 26.428 26.001 25.583 99999.999 88.122 81.058 74.997 69.729 65.102 61.001 57.339 54.047 51.068 48.360 45.884 43.611 41.515 39.575 36.093 35.453 34.829 34.221 33.629 33.051 32.488 31.937 31.400 30.875 30.362 29.861 29.371 28.891 28.421 27.961 27.511 27.069 26.637 26.213 25.797 niter-NH4 NH4NO3 Skip P-T:All Wt.(g/mol) = 80.043 V(cc/mol) = 46.490 D(g/cc) = 1.722 Ref: RH95 5 -1.000 1 -1.000 2 -1.000 6 2.000 32 1.000 4 88.615 86.607 74.942 56.767 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 88.615 86.607 74.942 56.767 34.197 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 88.616 86.608 74.943 56.767 34.198 8.689 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 88.618 86.609 74.944 56.769 34.199 8.690 -18.740 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 88.621 86.612 74.946 56.771 34.201 8.692 -18.738 -47.367 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 88.626 86.616 74.950 56.774 34.204 8.695 -18.735 -47.363 -76.674 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 88.634 86.622 74.956 56.779 34.209 8.700 -18.730 -47.358 -76.668 -106.292 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 88.644 86.631 74.963 56.787 34.216 8.707 -18.723 -47.350 -76.660 -106.282 -135.955 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 88.659 86.643 74.974 56.797 34.226 8.716 -18.713 -47.340 -76.649 -106.270 -135.939 -165.477 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 88.679 86.659 74.988 56.810 34.238 8.729 -18.700 -47.326 -76.634 -106.253 -135.919 -165.450 -194.728 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 88.705 86.680 75.007 56.827 34.255 8.746 -18.683 -47.308 -76.614 -106.231 -135.893 -165.416 -194.679 -223.634 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 88.737 86.707 75.031 56.850 34.277 8.767 -18.661 -47.286 -76.590 -106.203 -135.860 -165.373 -194.620 -223.538 -252.209 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 88.762 86.728 75.049 56.867 34.293 8.783 -18.644 -47.268 -76.571 -106.182 -135.835 -165.342 -194.577 -223.471 -252.065 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 88.798 86.757 75.076 56.891 34.317 8.807 -18.621 -47.243 -76.544 -106.152 -135.800 -165.299 -194.519 -223.385 -251.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 88.834 86.786 75.102 56.915 34.340 8.830 -18.597 -47.219 -76.518 -106.123 -135.766 -165.257 -194.464 -223.306 -251.774 -307.733 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 88.869 86.815 75.127 56.939 34.363 8.853 -18.574 -47.195 -76.493 -106.095 -135.734 -165.218 -194.413 -223.234 -251.659 -306.899 -318.010 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 88.903 86.843 75.153 56.963 34.386 8.875 -18.551 -47.171 -76.468 -106.067 -135.702 -165.180 -194.365 -223.168 -251.557 -306.643 -317.525 -328.429 -339.441 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 88.937 86.872 75.178 56.987 34.409 8.897 -18.529 -47.148 -76.443 -106.040 -135.672 -165.144 -194.319 -223.107 -251.466 -306.482 -317.293 -328.058 -338.806 -349.575 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 88.971 86.900 75.203 57.010 34.431 8.920 -18.507 -47.125 -76.418 -106.014 -135.642 -165.109 -194.276 -223.051 -251.383 -306.358 -317.134 -327.843 -338.495 -349.107 -359.697 -370.280 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.004 86.927 75.228 57.033 34.453 8.941 -18.484 -47.102 -76.394 -105.988 -135.613 -165.075 -194.235 -222.998 -251.309 -306.257 -317.011 -327.687 -338.292 -348.833 -359.318 -369.759 -380.162 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.037 86.955 75.253 57.056 34.475 8.963 -18.463 -47.080 -76.371 -105.962 -135.585 -165.043 -194.196 -222.949 -251.241 -306.169 -316.908 -327.564 -338.140 -348.641 -359.071 -369.436 -379.741 -389.990 -400.180 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.069 86.982 75.277 57.079 34.497 8.985 -18.441 -47.058 -76.347 -105.937 -135.557 -165.011 -194.159 -222.903 -251.180 -306.091 -316.818 -327.460 -338.017 -348.492 -358.888 -369.208 -379.456 -389.635 -399.746 -409.786 -419.751 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.101 87.009 75.301 57.102 34.519 9.006 -18.420 -47.036 -76.325 -105.913 -135.530 -164.981 -194.124 -222.860 -251.124 -306.020 -316.739 -327.369 -337.913 -348.370 -358.743 -369.034 -379.245 -389.379 -399.437 -409.418 -419.321 -429.144 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.133 87.036 75.325 57.124 34.541 9.027 -18.398 -47.014 -76.302 -105.889 -135.504 -164.951 -194.090 -222.819 -251.073 -305.955 -316.666 -327.288 -337.821 -348.265 -358.621 -368.892 -379.078 -389.182 -399.203 -409.144 -419.002 -428.778 -438.468 -448.069 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.165 87.062 75.349 57.146 34.562 9.048 -18.377 -46.993 -76.280 -105.865 -135.478 -164.923 -194.057 -222.781 -251.026 -305.894 -316.600 -327.215 -337.739 -348.172 -358.516 -368.772 -378.940 -389.021 -399.017 -408.928 -418.755 -428.496 -438.150 -447.716 -457.191 99999.999 99999.999 99999.999 99999.999 99999.999 89.196 87.088 75.373 57.168 34.583 9.069 -18.357 -46.971 -76.257 -105.841 -135.453 -164.895 -194.026 -222.745 -250.983 -305.838 -316.538 -327.147 -337.664 -348.089 -358.423 -368.667 -378.821 -388.886 -398.863 -408.753 -418.555 -428.269 -437.896 -447.434 -456.882 -466.237 -475.498 99999.999 99999.999 99999.999 89.226 87.114 75.396 57.190 34.604 9.089 -18.336 -46.950 -76.236 -105.818 -135.428 -164.868 -193.996 -222.711 -250.943 -305.784 -316.480 -327.084 -337.595 -348.013 -358.339 -368.574 -378.717 -388.769 -398.731 -408.604 -418.388 -428.083 -437.688 -447.204 -456.629 -465.962 -475.203 -484.350 99999.999 99999.999 89.257 87.140 75.419 57.212 34.625 9.110 -18.316 -46.930 -76.214 -105.796 -135.403 -164.841 -193.966 -222.678 -250.905 -305.734 -316.426 -327.025 -337.531 -347.943 -358.263 -368.489 -378.623 -388.666 -398.616 -408.476 -418.245 -427.924 -437.513 -447.011 -456.418 -465.733 -474.957 -484.087 -493.123 -502.065 89.287 87.165 75.442 57.234 34.646 9.130 -18.295 -46.909 -76.193 -105.773 -135.380 -164.815 -193.938 -222.646 -250.869 -305.686 -316.374 -326.969 -337.471 -347.878 -358.192 -368.412 -378.539 -388.572 -398.514 -408.363 -418.120 -427.786 -437.361 -446.845 -456.238 -465.538 -474.747 -483.863 -492.887 -501.816 89.572 87.410 75.665 57.442 34.845 9.325 -18.102 -46.713 -75.992 -105.563 -135.157 -164.577 -193.681 -222.365 -250.559 -305.293 -315.960 -326.531 -337.006 -347.385 -357.667 -367.852 -377.940 -387.931 -397.826 -407.625 -417.329 -426.937 -436.450 -445.869 -455.195 -464.427 -473.567 -482.615 -491.571 -500.437 89.834 87.638 75.873 57.638 35.033 9.508 -17.921 -46.532 -75.808 -105.374 -134.960 -164.370 -193.460 -222.129 -250.305 -304.992 -315.648 -326.208 -336.670 -347.035 -357.303 -367.472 -377.544 -387.518 -397.395 -407.174 -416.857 -426.444 -435.936 -445.332 -454.634 -463.842 -472.957 -481.980 -490.911 -499.752 90.075 87.852 76.070 57.824 35.211 9.681 -17.751 -46.362 -75.636 -105.199 -134.780 -164.182 -193.264 -221.923 -250.086 -304.743 -315.391 -325.943 -336.398 -346.755 -357.013 -367.174 -377.236 -387.200 -397.066 -406.835 -416.507 -426.082 -435.561 -444.945 -454.234 -463.429 -472.531 -481.540 -490.457 -499.284 90.301 88.055 76.258 58.001 35.381 9.846 -17.589 -46.202 -75.475 -105.036 -134.613 -164.011 -193.086 -221.737 -249.891 -304.526 -315.170 -325.716 -336.166 -346.517 -356.769 -366.923 -376.979 -386.937 -396.796 -406.558 -416.222 -425.789 -435.261 -444.636 -453.917 -463.104 -472.197 -481.197 -490.106 -498.923 90.515 88.248 76.438 58.172 35.545 10.005 -17.433 -46.048 -75.322 -104.882 -134.457 -163.851 -192.921 -221.566 -249.714 -304.333 -314.973 -325.516 -335.961 -346.308 -356.556 -366.706 -376.757 -386.709 -396.564 -406.320 -415.979 -425.542 -435.007 -444.377 -453.652 -462.833 -471.920 -480.914 -489.817 -498.628 90.717 88.433 76.611 58.336 35.702 10.157 -17.284 -45.901 -75.176 -104.736 -134.309 -163.701 -192.768 -221.408 -249.551 -304.157 -314.794 -325.334 -335.776 -346.120 -356.365 -366.511 -376.559 -386.508 -396.359 -406.112 -415.767 -425.325 -434.787 -444.153 -453.423 -462.600 -471.682 -480.672 -489.570 -498.377 90.910 88.612 76.779 58.495 35.855 10.305 -17.140 -45.759 -75.035 -104.595 -134.169 -163.558 -192.623 -221.260 -249.399 -303.995 -314.630 -325.168 -335.608 -345.949 -356.192 -366.335 -376.380 -386.327 -396.175 -405.924 -415.577 -425.132 -434.590 -443.953 -453.221 -462.394 -471.473 -480.460 -489.354 -498.157 99999.999 88.785 76.941 58.649 36.003 10.449 -17.000 -45.622 -74.900 -104.461 -134.034 -163.423 -192.486 -221.121 -249.256 -303.845 -314.478 -325.014 -335.452 -345.791 -356.032 -366.174 -376.217 -386.161 -396.006 -405.754 -415.404 -424.957 -434.413 -443.773 -453.038 -462.209 -471.286 -480.269 -489.161 -497.962 niter-Na NaNO3 P-T:All Wt.(g/mol) = 84.955 V(cc/mol) = 48.040 D(g/cc) = 1.768 Ref: RH95 6 -1.000 1 -1.000 2 -1.000 6 1.000 32 1.000 4 1.000 13 89.442 81.636 74.951 69.175 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.442 81.636 74.951 69.175 64.130 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.444 81.637 74.953 69.176 64.131 59.682 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.447 81.640 74.955 69.178 64.133 59.684 55.724 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.452 81.644 74.958 69.181 64.136 59.687 55.727 52.170 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.459 81.650 74.964 69.186 64.141 59.692 55.732 52.175 48.952 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.471 81.660 74.973 69.194 64.149 59.700 55.739 52.182 48.961 46.015 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.488 81.674 74.985 69.206 64.160 59.710 55.750 52.193 48.972 46.028 43.307 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.511 81.693 75.002 69.222 64.175 59.725 55.764 52.208 48.988 46.045 43.327 40.782 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.542 81.719 75.025 69.243 64.195 59.744 55.784 52.228 49.009 46.068 43.353 40.815 38.398 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.582 81.752 75.055 69.270 64.221 59.770 55.809 52.254 49.036 46.097 43.387 40.857 38.455 36.104 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.634 81.795 75.093 69.306 64.255 59.802 55.842 52.287 49.070 46.135 43.430 40.910 38.525 36.211 33.794 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.674 81.828 75.123 69.333 64.280 59.828 55.867 52.312 49.097 46.163 43.463 40.949 38.577 36.287 33.942 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.730 81.876 75.165 69.372 64.317 59.863 55.902 52.349 49.135 46.204 43.508 41.003 38.647 36.387 34.115 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.786 81.922 75.206 69.410 64.354 59.899 55.937 52.384 49.172 46.243 43.552 41.055 38.713 36.478 34.262 29.735 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.842 81.969 75.248 69.449 64.390 59.934 55.972 52.419 49.208 46.282 43.595 41.106 38.775 36.562 34.391 30.477 29.432 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.897 82.015 75.289 69.487 64.426 59.969 56.006 52.454 49.244 46.320 43.637 41.154 38.835 36.640 34.507 30.717 29.873 28.937 27.816 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 89.951 82.060 75.330 69.524 64.462 60.003 56.041 52.488 49.279 46.358 43.678 41.201 38.891 36.713 34.612 30.876 30.094 29.282 28.410 27.437 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.005 82.105 75.370 69.562 64.497 60.038 56.074 52.522 49.314 46.394 43.718 41.246 38.945 36.781 34.708 31.002 30.251 29.489 28.705 27.880 26.994 26.030 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.059 82.150 75.410 69.599 64.532 60.072 56.108 52.556 49.348 46.430 43.757 41.289 38.996 36.844 34.795 31.108 30.377 29.644 28.902 28.144 27.358 26.532 25.658 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.112 82.195 75.450 69.635 64.567 60.105 56.141 52.589 49.382 46.466 43.795 41.332 39.045 36.904 34.874 31.202 30.485 29.770 29.054 28.332 27.598 26.845 26.066 25.257 24.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.164 82.239 75.489 69.672 64.602 60.139 56.174 52.622 49.416 46.501 43.832 41.373 39.092 36.960 34.947 31.287 30.580 29.879 29.181 28.482 27.779 27.068 26.344 25.604 24.846 24.070 23.281 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.216 82.283 75.529 69.708 64.636 60.172 56.206 52.655 49.449 46.535 43.869 41.413 39.137 37.013 35.014 31.366 30.667 29.976 29.290 28.608 27.926 27.242 26.553 25.856 25.149 24.432 23.706 22.973 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.268 82.326 75.568 69.744 64.670 60.204 56.238 52.687 49.482 46.569 43.905 41.452 39.180 37.063 35.075 31.438 30.746 30.063 29.388 28.717 28.051 27.386 26.720 26.052 25.380 24.703 24.021 23.335 22.649 21.964 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.319 82.369 75.606 69.780 64.704 60.237 56.270 52.719 49.514 46.603 43.940 41.490 39.222 37.110 35.131 31.507 30.820 30.144 29.476 28.816 28.161 27.510 26.861 26.214 25.566 24.917 24.267 23.616 22.965 22.316 21.672 99999.999 99999.999 99999.999 99999.999 99999.999 90.370 82.412 75.645 69.815 64.738 60.269 56.302 52.750 49.546 46.636 43.975 41.527 39.262 37.156 35.184 31.571 30.890 30.219 29.558 28.905 28.259 27.620 26.984 26.352 25.722 25.094 24.467 23.841 23.217 22.596 21.980 21.371 20.770 99999.999 99999.999 99999.999 90.420 82.455 75.683 69.851 64.771 60.302 56.334 52.782 49.578 46.668 44.009 41.563 39.302 37.199 35.232 31.632 30.955 30.289 29.634 28.988 28.350 27.719 27.094 26.474 25.858 25.245 24.636 24.029 23.426 22.826 22.232 21.644 21.064 20.495 99999.999 99999.999 90.470 82.497 75.721 69.886 64.804 60.334 56.365 52.813 49.610 46.701 44.042 41.599 39.340 37.240 35.279 31.691 31.017 30.356 29.705 29.065 28.433 27.809 27.193 26.582 25.977 25.377 24.781 24.190 23.603 23.021 22.444 21.873 21.310 20.757 20.213 19.681 90.520 82.539 75.758 69.921 64.837 60.365 56.396 52.844 49.641 46.733 44.076 41.634 39.377 37.281 35.323 31.747 31.077 30.419 29.773 29.137 28.511 27.893 27.284 26.681 26.085 25.495 24.910 24.331 23.757 23.188 22.625 22.069 21.520 20.980 20.449 19.929 90.996 82.945 76.123 70.259 65.156 60.672 56.694 53.139 49.937 47.034 44.386 41.958 39.719 37.645 35.715 32.218 31.568 30.934 30.312 29.704 29.109 28.525 27.952 27.390 26.839 26.296 25.763 25.239 24.724 24.216 23.717 23.226 22.742 22.266 21.798 21.337 91.443 83.328 76.470 70.579 65.459 60.962 56.976 53.415 50.212 47.311 44.668 42.247 40.019 37.958 36.045 32.592 31.953 31.329 30.721 30.126 29.544 28.975 28.419 27.874 27.340 26.816 26.303 25.799 25.305 24.820 24.344 23.875 23.416 22.963 22.519 22.082 91.865 83.694 76.801 70.887 65.749 61.238 57.244 53.677 50.470 47.569 44.928 42.512 40.290 38.239 36.336 32.911 32.279 31.662 31.061 30.474 29.901 29.341 28.794 28.258 27.734 27.221 26.719 26.227 25.745 25.272 24.808 24.353 23.906 23.467 23.036 22.613 92.268 84.045 77.119 71.183 66.028 61.505 57.500 53.927 50.716 47.813 45.173 42.759 40.541 38.495 36.600 33.194 32.566 31.955 31.358 30.777 30.209 29.655 29.114 28.585 28.067 27.561 27.066 26.582 26.107 25.642 25.186 24.739 24.300 23.870 23.448 23.034 92.656 84.384 77.428 71.469 66.298 61.762 57.748 54.168 50.952 48.046 45.404 42.991 40.776 38.734 36.843 33.450 32.826 32.218 31.625 31.047 30.484 29.934 29.397 28.872 28.359 27.858 27.368 26.888 26.419 25.959 25.509 25.068 24.635 24.211 23.795 23.386 93.030 84.712 77.727 71.747 66.560 62.012 57.988 54.400 51.179 48.269 45.626 43.212 40.998 38.958 37.071 33.687 33.065 32.459 31.869 31.294 30.733 30.186 29.652 29.131 28.622 28.124 27.637 27.161 26.696 26.240 25.794 25.357 24.928 24.508 24.096 23.693 93.393 85.032 78.018 72.018 66.815 62.254 58.221 54.626 51.399 48.485 45.839 43.424 41.209 39.170 37.285 33.908 33.288 32.684 32.096 31.522 30.964 30.419 29.887 29.368 28.861 28.366 27.882 27.409 26.946 26.493 26.050 25.616 25.190 24.774 24.365 23.965 99999.999 85.344 78.303 72.282 67.064 62.492 58.449 54.845 51.612 48.694 46.044 43.627 41.412 39.373 37.489 34.116 33.497 32.894 32.308 31.736 31.179 30.635 30.105 29.588 29.083 28.590 28.108 27.636 27.176 26.725 26.284 25.852 25.429 25.015 24.608 24.210 nitrate-Ca Ca(NO3)2 P-T:All Wt.(g/mol) = 164.088 V(cc/mol) = 66.090 D(g/cc) = 2.483 Ref: RH95 6 -2.000 1 -2.000 2 -2.000 6 2.000 32 2.000 4 1.000 9 193.815 176.522 161.710 148.898 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 193.815 176.522 161.710 148.898 137.697 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 193.817 176.524 161.712 148.900 137.699 127.807 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 193.822 176.528 161.716 148.904 137.702 127.811 118.993 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 193.831 176.536 161.723 148.910 137.708 127.816 118.999 111.068 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 193.844 176.547 161.733 148.919 137.717 127.826 119.008 111.078 103.884 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 193.865 176.564 161.748 148.934 137.731 127.839 119.022 111.093 103.900 97.316 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 193.894 176.588 161.770 148.954 137.751 127.859 119.042 111.113 103.922 97.341 91.253 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 193.933 176.622 161.801 148.983 137.779 127.886 119.069 111.142 103.953 97.375 91.294 85.597 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 193.987 176.667 161.841 149.021 137.815 127.922 119.106 111.180 103.994 97.421 91.348 85.665 80.257 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 194.056 176.725 161.894 149.070 137.863 127.969 119.153 111.229 104.047 97.479 91.416 85.752 80.376 75.140 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 194.144 176.800 161.961 149.133 137.923 128.029 119.214 111.292 104.114 97.553 91.503 85.859 80.521 75.356 70.053 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 194.212 176.858 162.014 149.182 137.970 128.075 119.261 111.340 104.165 97.610 91.568 85.940 80.628 75.511 70.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 194.309 176.940 162.088 149.252 138.037 128.141 119.327 111.409 104.237 97.689 91.659 86.051 80.774 75.718 70.657 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 194.405 177.021 162.161 149.320 138.103 128.206 119.392 111.476 104.309 97.767 91.747 86.158 80.911 75.909 70.958 62.383 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 194.500 177.102 162.234 149.389 138.169 128.270 119.457 111.543 104.379 97.843 91.833 86.260 81.041 76.086 71.230 63.086 61.206 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 194.594 177.182 162.306 149.456 138.234 128.334 119.521 111.608 104.447 97.917 91.916 86.358 81.164 76.250 71.477 63.373 61.680 59.896 57.843 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 194.687 177.261 162.378 149.523 138.298 128.397 119.584 111.673 104.515 97.990 91.997 86.453 81.280 76.403 71.701 63.603 61.965 60.312 58.597 56.737 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 194.779 177.339 162.449 149.589 138.361 128.459 119.646 111.736 104.581 98.061 92.076 86.544 81.391 76.546 71.906 63.804 62.198 60.596 58.981 57.325 55.582 53.700 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 194.870 177.417 162.519 149.655 138.424 128.521 119.708 111.799 104.647 98.131 92.153 86.632 81.496 76.679 72.091 63.984 62.400 60.830 59.263 57.689 56.085 54.428 52.689 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 194.960 177.493 162.588 149.720 138.487 128.582 119.769 111.861 104.711 98.200 92.228 86.717 81.596 76.803 72.260 64.150 62.583 61.034 59.498 57.967 56.432 54.878 53.291 51.657 49.969 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 195.049 177.570 162.657 149.785 138.548 128.642 119.829 111.923 104.775 98.267 92.302 86.799 81.692 76.919 72.413 64.303 62.750 61.219 59.705 58.203 56.707 55.211 53.704 52.179 50.627 49.047 47.441 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 195.137 177.645 162.726 149.849 138.610 128.702 119.889 111.983 104.838 98.333 92.373 86.879 81.783 77.027 72.552 64.448 62.906 61.388 59.891 58.410 56.942 55.482 54.024 52.562 51.093 49.611 48.116 46.612 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 195.225 177.720 162.794 149.912 138.670 128.761 119.948 112.043 104.900 98.398 92.443 86.956 81.870 77.129 72.679 64.584 63.052 61.546 60.062 58.598 57.150 55.716 54.290 52.870 51.452 50.033 48.612 47.189 45.768 44.354 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 195.312 177.794 162.861 149.975 138.731 128.820 120.006 112.102 104.961 98.463 92.512 87.031 81.954 77.225 72.795 64.713 63.190 61.694 60.222 58.771 57.340 55.924 54.522 53.131 51.749 50.372 49.001 47.634 46.273 44.922 43.583 99999.999 99999.999 99999.999 99999.999 99999.999 195.398 177.868 162.928 150.038 138.790 128.878 120.064 112.161 105.021 98.526 92.579 87.104 82.034 77.316 72.901 64.837 63.322 61.834 60.372 58.932 57.514 56.114 54.730 53.361 52.005 50.659 49.322 47.995 46.678 45.372 44.080 42.805 41.552 99999.999 99999.999 99999.999 195.483 177.941 162.994 150.100 138.850 128.936 120.121 112.219 105.081 98.588 92.646 87.175 82.112 77.402 72.999 64.955 63.447 61.967 60.513 59.084 57.676 56.289 54.921 53.569 52.232 50.909 49.598 48.300 47.015 45.743 44.486 43.246 42.027 40.831 99999.999 99999.999 195.567 178.014 163.060 150.161 138.909 128.994 120.178 112.276 105.140 98.650 92.710 87.244 82.187 77.485 73.091 65.068 63.566 62.093 60.647 59.227 57.829 56.453 55.097 53.759 52.438 51.133 49.842 48.567 47.305 46.059 44.829 43.617 42.424 41.253 40.107 38.988 195.651 178.086 163.125 150.222 138.967 129.050 120.235 112.333 105.198 98.710 92.774 87.313 82.261 77.565 73.179 65.178 63.681 62.215 60.775 59.362 57.973 56.607 55.261 53.935 52.627 51.337 50.063 48.805 47.563 46.337 45.128 43.937 42.765 41.614 40.487 39.384 196.451 178.777 163.754 150.810 139.528 129.595 120.772 112.872 105.747 99.277 93.368 87.940 82.929 78.283 73.955 66.107 64.649 63.223 61.829 60.464 59.128 57.818 56.534 55.274 54.037 52.822 51.629 50.457 49.304 48.170 47.056 45.960 44.882 43.822 42.780 41.756 197.195 179.425 164.345 151.363 140.055 130.105 121.273 113.370 106.248 99.789 93.896 88.490 83.507 78.893 74.603 66.848 65.412 64.010 62.640 61.301 59.992 58.711 57.457 56.229 55.025 53.845 52.688 51.552 50.437 49.343 48.267 47.211 46.172 45.152 44.148 43.161 197.893 180.037 164.905 151.888 140.554 130.587 121.743 113.835 106.714 100.260 94.378 88.987 84.023 79.432 75.168 67.477 66.055 64.669 63.315 61.993 60.701 59.439 58.204 56.995 55.812 54.654 53.518 52.405 51.314 50.243 49.192 48.160 47.146 46.151 45.172 44.210 198.554 180.621 165.440 152.388 141.030 131.045 122.190 114.275 107.151 100.700 94.824 89.443 84.492 79.918 75.674 68.029 66.618 65.242 63.900 62.590 61.311 60.061 58.839 57.645 56.476 55.332 54.212 53.115 52.039 50.985 49.950 48.935 47.939 46.961 46.000 45.056 199.186 181.180 165.953 152.869 141.487 131.484 122.617 114.694 107.566 101.114 95.241 89.867 84.926 80.364 76.135 68.525 67.122 65.754 64.421 63.120 61.849 60.609 59.397 58.213 57.055 55.922 54.812 53.726 52.663 51.620 50.598 49.595 48.612 47.647 46.699 45.768 199.793 181.718 166.447 153.332 141.927 131.907 123.027 115.095 107.962 101.508 95.636 90.266 85.331 80.778 76.560 68.977 67.580 66.219 64.892 63.597 62.334 61.101 59.897 58.721 57.570 56.445 55.344 54.267 53.212 52.178 51.166 50.173 49.199 48.243 47.305 46.384 200.379 182.240 166.926 153.780 142.353 132.316 123.422 115.481 108.342 101.885 96.012 90.643 85.713 81.166 76.956 69.394 68.002 66.646 65.324 64.035 62.777 61.550 60.352 59.181 58.037 56.918 55.824 54.753 53.705 52.678 51.672 50.687 49.720 48.772 47.842 46.928 99999.999 182.746 167.391 154.215 142.766 132.712 123.805 115.854 108.708 102.246 96.371 91.003 86.076 81.533 77.329 69.783 68.394 67.042 65.724 64.439 63.186 61.963 60.770 59.604 58.464 57.351 56.261 55.196 54.153 53.132 52.131 51.151 50.190 49.248 48.323 47.416 nitrate-Mg Mg(NO3)2 P-T:All Wt.(g/mol) = 148.315 V(cc/mol) = 62.930 D(g/cc) = 2.357 Ref: RH95 6 -2.000 1 -2.000 2 -2.000 6 2.000 32 2.000 4 1.000 10 204.506 186.086 170.327 156.712 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 204.506 186.087 170.327 156.712 144.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 204.508 186.089 170.329 156.714 144.825 134.338 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 204.513 186.093 170.333 156.717 144.828 134.342 125.005 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 204.522 186.100 170.340 156.723 144.834 134.348 125.011 116.624 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 204.535 186.112 170.350 156.733 144.843 134.357 125.021 116.634 109.035 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 204.555 186.129 170.366 156.748 144.858 134.371 125.035 116.649 109.051 102.105 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 204.584 186.153 170.388 156.769 144.878 134.391 125.056 116.671 109.075 102.131 95.715 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 204.623 186.187 170.419 156.798 144.906 134.419 125.084 116.700 109.106 102.166 95.757 89.762 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 204.676 186.232 170.459 156.836 144.943 134.456 125.122 116.739 109.148 102.213 95.813 89.833 84.154 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 204.745 186.291 170.513 156.886 144.992 134.504 125.170 116.790 109.203 102.274 95.884 89.922 84.275 78.801 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 204.832 186.366 170.581 156.951 145.054 134.566 125.233 116.855 109.272 102.350 95.973 90.034 84.425 79.017 73.537 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 204.900 186.424 170.634 157.000 145.102 134.613 125.281 116.905 109.325 102.409 96.041 90.117 84.536 79.174 73.773 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 204.996 186.506 170.709 157.071 145.170 134.680 125.349 116.975 109.400 102.491 96.136 90.233 84.687 79.386 74.100 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 205.091 186.587 170.783 157.140 145.237 134.747 125.416 117.045 109.473 102.571 96.227 90.344 84.829 79.583 74.404 66.553 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 205.185 186.668 170.856 157.209 145.304 134.812 125.482 117.113 109.546 102.650 96.316 90.450 84.965 79.766 74.682 66.605 64.969 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 205.278 186.748 170.929 157.278 145.369 134.877 125.547 117.180 109.616 102.726 96.403 90.552 85.093 79.937 74.938 66.736 65.106 63.468 61.656 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 205.369 186.827 171.001 157.346 145.435 134.941 125.612 117.247 109.686 102.802 96.487 90.650 85.214 80.097 75.172 66.895 65.265 63.655 62.036 60.325 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 205.460 186.905 171.072 157.413 145.499 135.005 125.676 117.312 109.755 102.875 96.568 90.745 85.329 80.245 75.385 67.054 65.430 63.832 62.249 60.657 59.013 57.255 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 205.550 186.983 171.143 157.479 145.563 135.068 125.739 117.377 109.822 102.948 96.648 90.836 85.438 80.384 75.579 67.208 65.592 64.004 62.437 60.883 59.325 57.735 56.083 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 205.639 187.060 171.213 157.545 145.627 135.130 125.801 117.440 109.889 103.018 96.726 90.924 85.542 80.513 75.755 67.356 65.748 64.169 62.615 61.080 59.558 58.034 56.495 54.921 53.302 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 205.727 187.136 171.282 157.610 145.689 135.192 125.863 117.503 109.954 103.088 96.801 91.010 85.641 80.633 75.914 67.497 65.897 64.327 62.783 61.263 59.760 58.270 56.784 55.291 53.783 52.253 50.702 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 205.814 187.211 171.351 157.675 145.752 135.253 125.924 117.565 110.019 103.156 96.876 91.092 85.736 80.745 76.059 67.632 66.040 64.478 62.943 61.434 59.946 58.476 57.019 55.570 54.122 52.671 51.214 49.752 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 205.900 187.286 171.420 157.739 145.813 135.313 125.984 117.627 110.082 103.224 96.948 91.172 85.826 80.851 76.190 67.761 66.176 64.622 63.096 61.596 60.120 58.664 57.227 55.804 54.392 52.987 51.588 50.192 48.803 47.424 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 205.986 187.360 171.487 157.803 145.874 135.373 126.044 117.688 110.145 103.290 97.019 91.249 85.912 80.950 76.309 67.886 66.307 64.759 63.241 61.749 60.283 58.840 57.417 56.012 54.623 53.248 51.885 50.532 49.191 47.863 46.552 99999.999 99999.999 99999.999 99999.999 99999.999 206.070 187.433 171.554 157.866 145.935 135.432 126.103 117.748 110.207 103.355 97.089 91.325 85.995 81.043 76.417 68.006 66.433 64.891 63.380 61.896 60.438 59.005 57.593 56.203 54.830 53.475 52.136 50.812 49.504 48.211 46.936 45.683 44.454 99999.999 99999.999 99999.999 206.154 187.506 171.621 157.928 145.995 135.491 126.162 117.807 110.268 103.419 97.157 91.398 86.075 81.132 76.518 68.122 66.554 65.018 63.513 62.036 60.586 59.161 57.760 56.380 55.021 53.681 52.359 51.055 49.769 48.501 47.253 46.026 44.822 43.646 99999.999 99999.999 206.237 187.579 171.687 157.990 146.055 135.549 126.220 117.866 110.329 103.482 97.224 91.470 86.153 81.217 76.612 68.234 66.671 65.141 63.641 62.171 60.728 59.310 57.917 56.547 55.198 53.870 52.562 51.273 50.004 48.754 47.524 46.316 45.132 43.972 42.841 41.739 206.319 187.650 171.753 158.052 146.114 135.607 126.277 117.924 110.389 103.545 97.290 91.540 86.229 81.299 76.702 68.342 66.784 65.259 63.765 62.300 60.863 59.453 58.067 56.705 55.365 54.047 52.750 51.473 50.216 48.980 47.765 46.571 45.400 44.254 43.134 42.042 207.104 188.337 172.382 158.644 146.681 136.160 126.825 118.475 110.952 104.128 97.901 92.187 86.918 82.037 77.497 69.279 67.755 66.266 64.810 63.386 61.993 60.629 59.292 57.982 56.697 55.436 54.199 52.984 51.791 50.619 49.468 48.338 47.227 46.136 45.065 44.014 207.829 188.979 172.972 159.199 147.213 136.676 127.333 118.982 111.464 104.653 98.444 92.754 87.514 82.667 78.164 70.037 68.534 67.067 65.635 64.235 62.868 61.530 60.221 58.939 57.684 56.454 55.248 54.066 52.905 51.766 50.648 49.550 48.471 47.411 46.369 45.345 208.508 189.583 173.530 159.724 147.714 137.162 127.809 119.454 111.939 105.134 98.938 93.264 88.045 83.222 78.747 70.685 69.196 67.744 66.328 64.945 63.594 62.274 60.984 59.721 58.486 57.276 56.091 54.930 53.791 52.674 51.579 50.503 49.447 48.410 47.390 46.389 209.148 190.157 174.061 160.224 148.192 137.624 128.260 119.900 112.383 105.582 99.393 93.732 88.527 83.722 79.268 71.254 69.776 68.335 66.931 65.560 64.221 62.914 61.637 60.388 59.167 57.972 56.802 55.656 54.533 53.432 52.353 51.294 50.254 49.234 48.232 47.247 209.758 190.706 174.569 160.703 148.649 138.065 128.691 120.324 112.804 106.004 99.819 94.166 88.972 84.180 79.742 71.765 70.295 68.863 67.467 66.106 64.777 63.480 62.212 60.974 59.763 58.579 57.420 56.286 55.174 54.086 53.018 51.972 50.945 49.938 48.948 47.977 210.342 191.234 175.058 161.164 149.089 138.489 129.103 120.728 113.204 106.403 100.221 94.572 89.386 84.605 80.178 72.230 70.767 69.342 67.953 66.599 65.277 63.987 62.728 61.498 60.295 59.119 57.969 56.843 55.741 54.662 53.604 52.567 51.550 50.552 49.573 48.612 210.904 191.743 175.530 161.609 149.514 138.898 129.501 121.117 113.588 106.785 100.603 94.957 89.776 85.002 80.585 72.660 71.202 69.782 68.398 67.049 65.734 64.450 63.197 61.973 60.777 59.608 58.464 57.345 56.250 55.178 54.127 53.098 52.089 51.099 50.127 49.174 99999.999 192.238 175.988 162.041 149.925 139.294 129.885 121.493 113.958 107.150 100.967 95.323 90.145 85.376 80.966 73.059 71.605 70.189 68.810 67.466 66.155 64.876 63.628 62.409 61.218 60.054 58.916 57.802 56.713 55.646 54.602 53.578 52.575 51.591 50.626 49.678 nitrate-Sr Sr(NO3)2 P-T:All Wt.(g/mol) = 211.630 V(cc/mol) = 70.930 D(g/cc) = 2.984 Ref: RH95 6 -2.000 1 -2.000 2 -2.000 6 2.000 32 2.000 4 1.000 21 188.849 172.080 157.707 145.271 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 188.849 172.080 157.707 145.271 134.399 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 188.852 172.082 157.709 145.273 134.401 124.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 188.857 172.087 157.713 145.277 134.405 124.804 116.245 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 188.866 172.094 157.720 145.283 134.411 124.810 116.251 108.554 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 188.879 172.106 157.730 145.293 134.420 124.819 116.261 108.564 101.581 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 188.900 172.124 157.747 145.309 134.435 124.834 116.276 108.579 101.597 95.205 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 188.930 172.149 157.770 145.330 134.456 124.854 116.296 108.601 101.620 95.231 89.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 188.971 172.184 157.801 145.360 134.484 124.882 116.325 108.630 101.652 95.266 89.359 83.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 189.026 172.231 157.844 145.400 134.523 124.920 116.363 108.670 101.694 95.312 89.414 83.892 78.632 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 189.097 172.292 157.899 145.451 134.572 124.969 116.412 108.721 101.748 95.372 89.483 83.979 78.751 73.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 189.189 172.370 157.970 145.518 134.636 125.032 116.475 108.786 101.817 95.448 89.571 84.088 78.897 73.867 68.678 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 189.259 172.430 158.024 145.569 134.685 125.080 116.524 108.836 101.870 95.505 89.637 84.169 79.004 74.023 68.953 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 189.359 172.515 158.102 145.641 134.755 125.148 116.593 108.906 101.944 95.587 89.730 84.281 79.151 74.230 69.295 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 189.458 172.600 158.178 145.713 134.824 125.216 116.661 108.976 102.018 95.666 89.820 84.389 79.289 74.421 69.597 60.932 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 189.556 172.684 158.254 145.785 134.892 125.283 116.728 109.045 102.090 95.744 89.907 84.492 79.419 74.598 69.869 61.816 59.889 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 189.652 172.767 158.330 145.855 134.960 125.350 116.794 109.113 102.161 95.820 89.992 84.592 79.543 74.763 70.115 62.148 60.457 58.654 56.556 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 189.748 172.849 158.404 145.925 135.027 125.415 116.860 109.179 102.230 95.894 90.074 84.688 79.660 74.916 70.338 62.399 60.780 59.134 57.413 55.533 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 189.843 172.930 158.478 145.994 135.093 125.480 116.924 109.245 102.299 95.967 90.155 84.780 79.771 75.059 70.541 62.613 61.032 59.450 57.846 56.192 54.441 52.545 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 189.936 173.011 158.552 146.063 135.159 125.544 116.988 109.310 102.366 96.039 90.233 84.869 79.877 75.192 70.726 62.802 61.248 59.702 58.156 56.594 54.998 53.340 51.598 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 190.029 173.091 158.624 146.131 135.224 125.608 117.052 109.375 102.433 96.109 90.310 84.955 79.978 75.317 70.895 62.975 61.439 59.919 58.408 56.897 55.377 53.834 52.252 50.619 48.931 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 190.121 173.170 158.696 146.198 135.289 125.671 117.114 109.438 102.498 96.179 90.385 85.039 80.075 75.433 71.048 63.133 61.614 60.113 58.626 57.149 55.674 54.194 52.700 51.184 49.638 48.061 46.458 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 190.212 173.249 158.768 146.265 135.353 125.733 117.176 109.501 102.563 96.247 90.458 85.120 80.167 75.542 71.187 63.282 61.775 60.289 58.821 57.368 55.923 54.484 53.044 51.597 50.138 48.665 47.178 45.680 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 190.302 173.326 158.838 146.331 135.416 125.795 117.238 109.563 102.627 96.314 90.530 85.198 80.255 75.645 71.314 63.421 61.925 60.452 59.000 57.564 56.143 54.732 53.327 51.926 50.524 49.118 47.708 46.294 44.881 43.474 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 190.391 173.403 158.909 146.397 135.479 125.856 117.298 109.624 102.690 96.379 90.600 85.274 80.340 75.742 71.430 63.554 62.067 60.604 59.164 57.744 56.340 54.951 53.573 52.203 50.839 49.479 48.122 46.768 45.419 44.077 42.747 99999.999 99999.999 99999.999 99999.999 99999.999 190.479 173.480 158.978 146.462 135.541 125.917 117.358 109.685 102.752 96.444 90.669 85.349 80.421 75.834 71.537 63.680 62.201 60.748 59.319 57.910 56.521 55.149 53.791 52.445 51.110 49.783 48.464 47.152 45.848 44.555 43.274 42.009 40.765 99999.999 99999.999 99999.999 190.567 173.556 159.047 146.527 135.603 125.977 117.418 109.745 102.813 96.508 90.736 85.421 80.500 75.921 71.637 63.800 62.328 60.884 59.464 58.066 56.689 55.331 53.989 52.662 51.348 50.046 48.755 47.475 46.206 44.949 43.705 42.477 41.269 40.083 99999.999 99999.999 190.653 173.631 159.116 146.591 135.664 126.037 117.477 109.804 102.874 96.571 90.803 85.492 80.577 76.005 71.730 63.916 62.450 61.013 59.601 58.213 56.846 55.500 54.171 52.860 51.563 50.281 49.012 47.756 46.513 45.283 44.069 42.870 41.690 40.532 39.396 38.287 190.739 173.706 159.184 146.655 135.725 126.096 117.535 109.863 102.934 96.634 90.868 85.562 80.652 76.086 71.820 64.027 62.567 61.136 59.732 58.352 56.994 55.658 54.341 53.042 51.760 50.494 49.242 48.006 46.783 45.576 44.384 43.209 42.051 40.914 39.799 38.708 191.561 174.422 159.838 147.267 136.310 126.663 118.094 110.421 103.501 97.217 91.476 86.202 81.332 76.815 72.606 64.968 63.548 62.160 60.801 59.471 58.168 56.891 55.639 54.410 53.203 52.017 50.852 49.707 48.580 47.473 46.383 45.311 44.257 43.220 42.200 41.197 192.322 175.092 160.451 147.842 136.858 127.192 118.613 110.936 104.018 97.744 92.018 86.764 81.921 77.435 73.263 65.717 64.319 62.954 61.620 60.317 59.041 57.793 56.572 55.375 54.202 53.052 51.923 50.816 49.729 48.662 47.613 46.582 45.569 44.573 43.594 42.631 193.036 175.724 161.032 148.387 137.376 127.692 119.101 111.418 104.499 98.229 92.512 87.273 82.447 77.983 73.837 66.353 64.970 63.620 62.302 61.015 59.757 58.527 57.325 56.148 54.995 53.867 52.760 51.676 50.612 49.569 48.545 47.539 46.551 45.581 44.627 43.690 193.711 176.325 161.585 148.906 137.870 128.168 119.563 111.873 104.951 98.681 92.970 87.740 82.927 78.478 74.350 66.912 65.539 64.200 62.893 61.618 60.372 59.155 57.966 56.802 55.664 54.550 53.459 52.390 51.342 50.315 49.307 48.319 47.348 46.396 45.460 44.540 194.355 176.901 162.116 149.404 138.344 128.623 120.005 112.306 105.379 99.108 93.399 88.174 83.370 78.933 74.819 67.414 66.049 64.717 63.419 62.152 60.916 59.708 58.528 57.375 56.247 55.143 54.063 53.005 51.969 50.954 49.958 48.982 48.024 47.084 46.161 45.255 194.973 177.454 162.627 149.883 138.799 129.061 120.430 112.720 105.787 99.514 93.805 88.583 83.785 79.356 75.252 67.873 66.513 65.188 63.896 62.636 61.406 60.205 59.033 57.887 56.766 55.671 54.599 53.549 52.522 51.515 50.529 49.562 48.613 47.683 46.769 45.873 195.569 177.990 163.121 150.347 139.240 129.484 120.839 113.119 106.179 99.901 94.191 88.971 84.176 79.752 75.656 68.296 66.941 65.620 64.333 63.078 61.854 60.659 59.492 58.352 57.237 56.148 55.082 54.039 53.018 52.018 51.039 50.079 49.137 48.214 47.308 46.419 99999.999 178.510 163.600 150.797 139.668 129.894 121.235 113.505 106.557 100.274 94.561 89.340 84.547 80.127 76.036 68.691 67.339 66.022 64.739 63.488 62.268 61.077 59.914 58.779 57.669 56.584 55.523 54.485 53.470 52.475 51.501 50.546 49.610 48.692 47.792 46.909 nitrobarite Ba(NO3)2 P-T:All Wt.(g/mol) = 261.337 V(cc/mol) = 80.580 D(g/cc) = 3.243 Ref: RH95 6 -2.000 1 -2.000 2 -2.000 6 2.000 32 2.000 4 1.000 22 184.794 168.461 154.454 142.326 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 184.794 168.462 154.454 142.326 131.714 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 184.797 168.464 154.457 142.328 131.716 122.337 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 184.802 168.469 154.461 142.332 131.720 122.341 113.974 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 184.812 168.476 154.468 142.339 131.726 122.347 113.980 106.449 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 184.827 168.489 154.479 142.349 131.736 122.356 113.990 106.460 99.624 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 184.849 168.507 154.496 142.364 131.751 122.371 114.004 106.475 99.640 93.379 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 184.881 168.534 154.519 142.387 131.772 122.392 114.025 106.496 99.663 93.404 87.610 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 184.924 168.571 154.552 142.417 131.801 122.421 114.054 106.526 99.695 93.439 87.651 82.223 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 184.983 168.620 154.596 142.458 131.840 122.459 114.093 106.566 99.737 93.485 87.705 82.291 77.130 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 185.059 168.683 154.653 142.511 131.891 122.509 114.142 106.617 99.791 93.545 87.774 82.378 77.249 72.235 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 185.156 168.765 154.727 142.580 131.956 122.572 114.206 106.683 99.860 93.621 87.861 82.485 77.393 72.452 67.332 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 185.231 168.828 154.783 142.632 132.006 122.621 114.255 106.733 99.913 93.678 87.927 82.566 77.499 72.607 67.617 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 185.338 168.918 154.864 142.707 132.078 122.691 114.325 106.804 99.988 93.760 88.019 82.677 77.643 72.812 67.962 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 185.444 169.007 154.944 142.781 132.149 122.760 114.394 106.875 100.062 93.839 88.109 82.783 77.779 73.001 68.262 59.324 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 185.549 169.095 155.023 142.855 132.219 122.829 114.462 106.944 100.134 93.917 88.196 82.886 77.908 73.175 68.530 60.443 58.427 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 185.652 169.182 155.101 142.928 132.288 122.896 114.529 107.012 100.205 93.993 88.280 82.985 78.030 73.337 68.772 60.832 59.117 57.262 55.079 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 185.755 169.269 155.179 143.000 132.357 122.963 114.596 107.080 100.275 94.067 88.362 83.079 78.146 73.488 68.991 61.110 59.487 57.824 56.069 54.136 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 185.856 169.354 155.256 143.071 132.425 123.029 114.662 107.147 100.344 94.141 88.443 83.171 78.256 73.629 69.191 61.339 59.763 58.179 56.564 54.886 53.100 51.163 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 185.957 169.439 155.332 143.142 132.492 123.095 114.727 107.212 100.412 94.212 88.521 83.260 78.361 73.760 69.372 61.538 59.994 58.454 56.907 55.337 53.724 52.043 50.271 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 186.056 169.523 155.407 143.212 132.559 123.160 114.791 107.277 100.479 94.283 88.597 83.345 78.461 73.883 69.538 61.716 60.195 58.685 57.179 55.670 54.144 52.589 50.991 49.338 47.626 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 186.155 169.607 155.482 143.282 132.626 123.224 114.855 107.341 100.545 94.352 88.672 83.428 78.556 73.998 69.688 61.880 60.376 58.888 57.411 55.940 54.467 52.984 51.483 49.954 48.394 46.800 45.180 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 186.253 169.690 155.557 143.351 132.691 123.288 114.918 107.405 100.610 94.421 88.745 83.509 78.648 74.106 69.826 62.032 60.542 59.072 57.616 56.172 54.734 53.297 51.856 50.404 48.938 47.454 45.953 44.441 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 186.350 169.772 155.631 143.420 132.756 123.351 114.980 107.468 100.674 94.488 88.817 83.587 78.735 74.208 69.951 62.174 60.696 59.240 57.801 56.378 54.966 53.561 52.160 50.759 49.354 47.943 46.525 45.102 43.678 42.259 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 186.446 169.853 155.704 143.488 132.821 123.414 115.042 107.530 100.738 94.554 88.887 83.663 78.820 74.304 70.066 62.308 60.840 59.396 57.971 56.565 55.173 53.792 52.421 51.055 49.693 48.332 46.971 45.612 44.255 42.904 41.564 99999.999 99999.999 99999.999 99999.999 99999.999 186.541 169.934 155.777 143.555 132.885 123.476 115.103 107.591 100.801 94.619 88.956 83.737 78.901 74.395 70.172 62.435 60.977 59.542 58.129 56.736 55.360 53.999 52.650 51.311 49.980 48.656 47.337 46.023 44.715 43.416 42.128 40.856 39.603 99999.999 99999.999 99999.999 186.636 170.014 155.849 143.622 132.949 123.537 115.164 107.652 100.863 94.683 89.024 83.809 78.980 74.482 70.271 62.557 61.106 59.680 58.277 56.896 55.533 54.188 52.857 51.538 50.232 48.935 47.647 46.368 45.097 43.838 42.590 41.357 40.142 38.949 99999.999 99999.999 186.730 170.093 155.920 143.689 133.012 123.598 115.224 107.712 100.924 94.747 89.090 83.880 79.056 74.566 70.364 62.673 61.229 59.811 58.417 57.046 55.694 54.362 53.045 51.744 50.457 49.181 47.918 46.665 45.424 44.194 42.978 41.777 40.593 39.428 38.287 37.170 186.823 170.172 155.991 143.755 133.074 123.659 115.283 107.772 100.984 94.809 89.156 83.950 79.131 74.647 70.454 62.785 61.347 59.936 58.550 57.187 55.846 54.524 53.220 51.933 50.661 49.404 48.159 46.928 45.710 44.504 43.313 42.137 40.978 39.838 38.718 37.622 187.714 170.932 156.676 144.391 133.677 124.241 115.853 108.339 101.558 95.397 89.766 84.590 79.809 75.373 71.237 63.726 62.328 60.961 59.623 58.313 57.029 55.770 54.535 53.322 52.131 50.961 49.810 48.678 47.564 46.468 45.389 44.327 43.282 42.254 41.242 40.246 188.546 171.646 157.321 144.989 134.244 124.785 116.384 108.864 102.083 95.929 90.311 85.155 80.399 75.992 71.893 64.472 63.096 61.753 60.440 59.156 57.900 56.671 55.467 54.287 53.131 51.997 50.884 49.791 48.719 47.665 46.629 45.611 44.610 43.625 42.656 41.703 189.331 172.323 157.934 145.558 134.782 125.301 116.885 109.355 102.572 96.420 90.810 85.666 80.927 76.541 72.465 65.105 63.744 62.415 61.118 59.851 58.612 57.401 56.216 55.057 53.921 52.808 51.718 50.648 49.599 48.569 47.559 46.566 45.591 44.632 43.690 42.763 190.078 172.969 158.519 146.102 135.295 125.792 117.361 109.821 103.032 96.880 91.274 86.137 81.409 77.037 72.979 65.662 64.311 62.993 61.706 60.451 59.224 58.025 56.853 55.707 54.585 53.487 52.411 51.357 50.324 49.311 48.316 47.341 46.383 45.442 44.517 43.609 190.794 173.589 159.081 146.624 135.788 126.264 117.816 110.265 103.469 97.315 91.709 86.577 81.856 77.494 73.449 66.164 64.819 63.509 62.231 60.983 59.765 58.576 57.413 56.276 55.165 54.077 53.012 51.968 50.946 49.945 48.962 47.999 47.053 46.125 45.213 44.318 191.483 174.188 159.625 147.129 136.264 126.718 118.254 110.692 103.888 97.728 92.121 86.991 82.275 77.920 73.883 66.622 65.283 63.978 62.706 61.465 60.254 59.071 57.915 56.786 55.681 54.601 53.544 52.509 51.495 50.502 49.528 48.574 47.637 46.718 45.816 44.930 192.151 174.769 160.151 147.617 136.725 127.157 118.677 111.102 104.290 98.125 92.515 87.384 82.670 78.320 74.290 67.046 65.711 64.411 63.143 61.907 60.700 59.523 58.372 57.249 56.150 55.076 54.024 52.996 51.988 51.001 50.034 49.087 48.157 47.245 46.350 45.471 99999.999 175.334 160.664 148.093 137.173 127.584 119.087 111.500 104.678 98.506 92.892 87.760 83.046 78.699 74.673 67.442 66.111 64.814 63.549 62.317 61.114 59.940 58.794 57.674 56.580 55.510 54.464 53.440 52.437 51.455 50.494 49.551 48.626 47.720 46.830 45.957 acanthite Ag2S P-T:All Wt.(g/mol) = 247.800 V(cc/mol) = 34.200 D(g/cc) = 7.246 Ref: Shock07 3 2.000 18 -1.000 1 1.000 6 -39.699 -36.035 -32.975 -30.382 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -39.699 -36.035 -32.975 -30.382 -28.162 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -39.698 -36.034 -32.975 -30.382 -28.162 -26.246 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -39.697 -36.034 -32.974 -30.381 -28.161 -26.246 -24.583 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -39.696 -36.032 -32.973 -30.381 -28.161 -26.245 -24.582 -23.135 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -39.693 -36.031 -32.971 -30.379 -28.159 -26.243 -24.580 -23.132 -21.896 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -39.690 -36.028 -32.969 -30.377 -28.157 -26.241 -24.578 -23.129 -21.892 -20.825 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -39.684 -36.024 -32.966 -30.374 -28.154 -26.237 -24.574 -23.125 -21.887 -20.818 -19.908 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -39.677 -36.019 -32.961 -30.369 -28.149 -26.233 -24.569 -23.119 -21.880 -20.809 -19.896 -19.139 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -39.667 -36.011 -32.955 -30.364 -28.144 -26.227 -24.562 -23.111 -21.870 -20.798 -19.880 -19.116 -18.518 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -39.655 -36.002 -32.947 -30.357 -28.136 -26.219 -24.553 -23.101 -21.858 -20.783 -19.860 -19.088 -18.474 -18.058 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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acanthite Ag2S P-T:All Wt.(g/mol) = 247.800 V(cc/mol) = 34.200 D(g/cc) = 7.246 Ref: Shock07 3 2.000 18 -2.000 31 1.000 4 112.400 102.282 93.464 85.731 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.400 102.282 93.464 85.731 78.886 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.402 102.284 93.466 85.733 78.888 72.772 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.406 102.288 93.470 85.736 78.891 72.775 67.258 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.413 102.294 93.475 85.742 78.897 72.780 67.263 62.242 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.424 102.304 93.484 85.750 78.905 72.788 67.272 62.251 57.614 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.440 102.318 93.498 85.763 78.918 72.801 67.285 62.264 57.628 53.319 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.463 102.339 93.517 85.782 78.936 72.819 67.303 62.283 57.649 53.342 49.289 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.495 102.368 93.544 85.807 78.960 72.843 67.328 62.309 57.677 53.374 49.327 45.453 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.537 102.406 93.580 85.841 78.993 72.876 67.361 62.344 57.714 53.416 49.378 45.519 41.735 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.592 102.456 93.626 85.885 79.036 72.919 67.404 62.389 57.763 53.470 49.442 45.602 41.856 38.025 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.663 102.520 93.686 85.942 79.091 72.973 67.459 62.446 57.824 53.538 49.522 45.705 42.001 38.269 34.035 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.717 102.569 93.731 85.986 79.134 73.015 67.502 62.490 57.871 53.590 49.583 45.781 42.106 38.436 34.435 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.795 102.639 93.797 86.048 79.194 73.075 67.562 62.552 57.937 53.663 49.667 45.886 42.247 38.650 34.855 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.871 102.708 93.861 86.109 79.253 73.133 67.621 62.614 58.002 53.734 49.749 45.985 42.378 38.841 35.189 25.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 112.947 102.777 93.925 86.170 79.312 73.192 67.680 62.674 58.065 53.803 49.828 46.081 42.501 39.015 35.472 28.204 25.731 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.022 102.845 93.989 86.230 79.371 73.249 67.738 62.733 58.128 53.871 49.904 46.172 42.617 39.174 35.720 29.019 27.296 25.221 22.581 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.097 102.912 94.052 86.290 79.428 73.306 67.795 62.792 58.189 53.937 49.979 46.259 42.726 39.320 35.940 29.505 28.020 26.390 24.535 22.363 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.170 102.979 94.114 86.349 79.486 73.362 67.851 62.849 58.249 54.002 50.051 46.343 42.829 39.456 36.137 29.861 28.491 27.049 25.497 23.791 21.885 19.763 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.243 103.045 94.175 86.408 79.542 73.418 67.907 62.906 58.309 54.066 50.121 46.424 42.927 39.582 36.315 30.145 28.846 27.506 26.106 24.622 23.027 21.300 19.433 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.315 103.110 94.236 86.466 79.598 73.473 67.962 62.962 58.367 54.128 50.190 46.502 43.021 39.699 36.477 30.385 29.134 27.859 26.549 25.191 23.767 22.262 20.666 18.978 17.208 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.387 103.175 94.297 86.523 79.654 73.527 68.016 63.018 58.424 54.189 50.256 46.578 43.109 39.809 36.623 30.594 29.378 28.149 26.899 25.620 24.301 22.932 21.504 20.012 18.457 16.850 15.206 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.458 103.240 94.357 86.580 79.709 73.581 68.070 63.072 58.481 54.249 50.322 46.651 43.194 39.911 36.757 30.781 29.591 28.396 27.190 25.966 24.718 23.438 22.119 20.758 19.351 17.903 16.421 14.916 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.528 103.304 94.417 86.637 79.763 73.634 68.123 63.126 58.537 54.308 50.385 46.722 43.275 40.008 36.879 30.950 29.782 28.614 27.440 26.257 25.059 23.841 22.599 21.327 20.025 18.692 17.332 15.950 14.557 13.163 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 113.598 103.367 94.476 86.693 79.817 73.687 68.176 63.179 58.592 54.366 50.448 46.790 43.353 40.099 36.991 31.105 29.955 28.808 27.660 26.509 25.349 24.177 22.990 21.784 20.557 19.308 18.039 16.753 15.456 14.154 12.857 99999.999 99999.999 99999.999 99999.999 99999.999 113.667 103.430 94.534 86.748 79.871 73.740 68.228 63.232 58.646 54.423 50.509 46.857 43.428 40.186 37.095 31.249 30.114 28.985 27.858 26.731 25.601 24.465 23.320 22.163 20.992 19.807 18.607 17.395 16.174 14.948 13.723 12.507 11.305 99999.999 99999.999 99999.999 113.735 103.492 94.592 86.803 79.924 73.792 68.279 63.284 58.700 54.479 50.569 46.922 43.500 40.268 37.191 31.384 30.261 29.147 28.038 26.931 25.825 24.718 23.605 22.486 21.359 20.223 19.077 17.923 16.762 15.597 14.433 13.275 12.127 10.995 99999.999 99999.999 113.803 103.554 94.650 86.858 79.976 73.843 68.330 63.336 58.753 54.534 50.628 46.986 43.570 40.347 37.282 31.510 30.399 29.297 28.203 27.114 26.028 24.943 23.857 22.769 21.676 20.578 19.475 18.367 17.254 16.140 15.026 13.917 12.816 11.728 10.656 9.605 113.870 103.615 94.707 86.912 80.029 73.894 68.381 63.387 58.805 54.589 50.685 47.048 43.639 40.423 37.369 31.630 30.528 29.437 28.356 27.281 26.212 25.147 24.083 23.019 21.955 20.888 19.819 18.748 17.675 16.601 15.530 14.462 13.402 12.352 11.315 10.296 114.516 104.205 95.258 87.434 80.530 74.382 68.863 63.870 59.297 55.097 51.218 47.615 44.250 41.090 38.109 32.583 31.539 30.512 29.502 28.508 27.528 26.561 25.606 24.663 23.731 22.809 21.897 20.993 20.099 19.213 18.336 17.466 16.605 15.753 14.909 14.075 115.118 104.759 95.775 87.924 80.999 74.838 69.310 64.314 59.744 55.554 51.690 48.107 44.769 41.644 38.704 33.290 32.274 31.278 30.300 29.341 28.398 27.471 26.559 25.662 24.779 23.908 23.051 22.205 21.371 20.548 19.735 18.933 18.141 17.359 16.586 15.823 115.687 105.283 96.266 88.388 81.444 75.267 69.730 64.729 60.158 55.972 52.117 48.548 45.228 42.125 39.213 33.869 32.870 31.892 30.933 29.994 29.072 28.168 27.280 26.408 25.551 24.708 23.879 23.064 22.261 21.470 20.691 19.923 19.166 18.420 17.683 16.957 116.228 105.784 96.734 88.832 81.867 75.676 70.127 65.120 60.547 56.362 52.512 48.951 45.643 42.556 39.662 34.367 33.379 32.413 31.467 30.541 29.634 28.744 27.872 27.015 26.175 25.350 24.539 23.741 22.958 22.187 21.428 20.681 19.946 19.221 18.507 17.804 116.747 106.265 97.185 89.258 82.274 76.067 70.507 65.492 60.915 56.728 52.881 49.326 46.026 42.950 40.069 34.808 33.829 32.871 31.934 31.018 30.120 29.240 28.378 27.533 26.704 25.891 25.092 24.308 23.537 22.779 22.034 21.301 20.580 19.871 19.172 18.484 117.249 106.731 97.620 89.669 82.665 76.444 70.873 65.849 61.266 57.077 53.229 49.677 46.382 43.314 40.443 35.208 34.234 33.283 32.352 31.442 30.552 29.680 28.826 27.988 27.168 26.363 25.573 24.797 24.036 23.288 22.553 21.830 21.119 20.420 19.732 19.054 117.735 107.183 98.042 90.067 83.045 76.808 71.225 66.192 61.603 57.410 53.561 50.010 46.718 43.655 40.791 35.574 34.605 33.658 32.733 31.828 30.943 30.076 29.228 28.397 27.582 26.783 26.000 25.231 24.477 23.736 23.008 22.293 21.589 20.898 20.217 19.547 99999.999 107.624 98.453 90.455 83.414 77.162 71.567 66.525 61.928 57.730 53.879 50.327 47.037 43.976 41.117 35.914 34.949 34.006 33.084 32.183 31.302 30.439 29.595 28.769 27.959 27.165 26.386 25.623 24.873 24.138 23.415 22.705 22.008 21.322 20.647 19.983 alabandite MnS P-T:All Wt.(g/mol) = 87.000 V(cc/mol) = 21.460 D(g/cc) = 4.054 Ref: Shock07 3 1.000 14 1.000 6 -1.000 1 0.393 0.045 -0.307 -0.653 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.393 0.045 -0.307 -0.653 -0.993 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.394 0.046 -0.307 -0.653 -0.993 -1.330 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.394 0.047 -0.306 -0.652 -0.992 -1.329 -1.669 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.396 0.048 -0.305 -0.651 -0.990 -1.328 -1.668 -2.015 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.399 0.050 -0.302 -0.649 -0.988 -1.326 -1.665 -2.012 -2.372 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.403 0.054 -0.299 -0.646 -0.985 -1.322 -1.661 -2.008 -2.367 -2.747 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.409 0.058 -0.295 -0.641 -0.981 -1.317 -1.656 -2.001 -2.359 -2.738 -3.152 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.416 0.065 -0.289 -0.635 -0.975 -1.311 -1.648 -1.993 -2.349 -2.725 -3.135 -3.600 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.427 0.073 -0.281 -0.628 -0.967 -1.302 -1.639 -1.981 -2.335 -2.708 -3.113 -3.568 -4.101 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.440 0.084 -0.271 -0.618 -0.956 -1.291 -1.626 -1.966 -2.317 -2.686 -3.084 -3.529 -4.043 -4.664 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.457 0.098 -0.258 -0.605 -0.943 -1.276 -1.610 -1.948 -2.295 -2.659 -3.049 -3.480 -3.973 -4.563 -5.328 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.469 0.109 -0.248 -0.595 -0.933 -1.265 -1.597 -1.933 -2.278 -2.638 -3.022 -3.444 -3.921 -4.487 -5.244 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.487 0.123 -0.235 -0.581 -0.919 -1.250 -1.580 -1.914 -2.255 -2.609 -2.985 -3.394 -3.850 -4.383 -5.094 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.505 0.138 -0.221 -0.568 -0.905 -1.235 -1.563 -1.894 -2.232 -2.582 -2.950 -3.347 -3.784 -4.286 -4.943 -4.148 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.521 0.152 -0.208 -0.555 -0.891 -1.220 -1.547 -1.875 -2.210 -2.555 -2.917 -3.302 -3.722 -4.196 -4.799 -4.811 -4.659 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.538 0.166 -0.195 -0.542 -0.878 -1.206 -1.531 -1.857 -2.188 -2.529 -2.884 -3.260 -3.664 -4.112 -4.667 -4.925 -4.957 -4.932 -4.933 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.554 0.179 -0.182 -0.529 -0.864 -1.192 -1.515 -1.839 -2.167 -2.504 -2.853 -3.220 -3.609 -4.035 -4.545 -4.934 -5.025 -5.088 -5.126 -5.184 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.569 0.193 -0.170 -0.517 -0.852 -1.178 -1.500 -1.821 -2.147 -2.480 -2.824 -3.182 -3.559 -3.964 -4.435 -4.909 -5.024 -5.125 -5.209 -5.285 -5.376 -5.528 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.584 0.205 -0.158 -0.505 -0.839 -1.164 -1.485 -1.804 -2.127 -2.456 -2.795 -3.145 -3.511 -3.899 -4.337 -4.870 -4.996 -5.115 -5.224 -5.324 -5.422 -5.533 -5.682 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.598 0.218 -0.146 -0.493 -0.827 -1.151 -1.470 -1.788 -2.108 -2.434 -2.767 -3.111 -3.467 -3.839 -4.248 -4.826 -4.957 -5.084 -5.206 -5.321 -5.433 -5.545 -5.668 -5.815 -5.997 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.613 0.230 -0.134 -0.481 -0.815 -1.138 -1.456 -1.771 -2.089 -2.412 -2.741 -3.079 -3.426 -3.785 -4.170 -4.779 -4.913 -5.044 -5.172 -5.296 -5.416 -5.535 -5.657 -5.786 -5.931 -6.097 -6.290 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.626 0.242 -0.123 -0.470 -0.803 -1.125 -1.441 -1.755 -2.071 -2.390 -2.715 -3.048 -3.387 -3.736 -4.101 -4.732 -4.866 -4.999 -5.130 -5.258 -5.385 -5.509 -5.633 -5.760 -5.892 -6.034 -6.189 -6.358 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.640 0.254 -0.112 -0.459 -0.791 -1.113 -1.428 -1.740 -2.053 -2.369 -2.691 -3.018 -3.351 -3.690 -4.041 -4.684 -4.818 -4.951 -5.083 -5.214 -5.344 -5.472 -5.599 -5.726 -5.855 -5.988 -6.126 -6.272 -6.425 -6.585 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.653 0.265 -0.101 -0.448 -0.780 -1.100 -1.414 -1.725 -2.035 -2.349 -2.667 -2.990 -3.317 -3.649 -3.988 -4.638 -4.771 -4.903 -5.036 -5.167 -5.298 -5.428 -5.557 -5.686 -5.814 -5.944 -6.076 -6.210 -6.348 -6.489 -6.630 99999.999 99999.999 99999.999 99999.999 99999.999 0.665 0.277 -0.090 -0.437 -0.768 -1.088 -1.401 -1.710 -2.018 -2.329 -2.644 -2.963 -3.285 -3.611 -3.941 -4.591 -4.723 -4.855 -4.987 -5.119 -5.250 -5.381 -5.511 -5.640 -5.769 -5.898 -6.027 -6.157 -6.287 -6.418 -6.548 -6.677 -6.802 99999.999 99999.999 99999.999 0.677 0.287 -0.080 -0.427 -0.757 -1.077 -1.388 -1.695 -2.002 -2.310 -2.621 -2.937 -3.255 -3.576 -3.899 -4.546 -4.677 -4.808 -4.939 -5.070 -5.201 -5.331 -5.462 -5.592 -5.721 -5.850 -5.978 -6.106 -6.233 -6.359 -6.483 -6.605 -6.723 -6.836 99999.999 99999.999 0.689 0.298 -0.069 -0.416 -0.747 -1.065 -1.375 -1.681 -1.985 -2.291 -2.600 -2.912 -3.226 -3.543 -3.861 -4.502 -4.632 -4.761 -4.891 -5.021 -5.151 -5.281 -5.411 -5.541 -5.670 -5.799 -5.927 -6.054 -6.179 -6.303 -6.425 -6.544 -6.659 -6.769 -6.872 -6.967 0.701 0.308 -0.059 -0.406 -0.736 -1.054 -1.363 -1.667 -1.969 -2.273 -2.579 -2.887 -3.198 -3.511 -3.826 -4.459 -4.587 -4.715 -4.844 -4.972 -5.101 -5.231 -5.360 -5.489 -5.618 -5.747 -5.874 -6.001 -6.126 -6.249 -6.370 -6.488 -6.601 -6.710 -6.813 -6.909 0.798 0.400 0.031 -0.314 -0.639 -0.950 -1.249 -1.540 -1.826 -2.109 -2.391 -2.673 -2.956 -3.238 -3.520 -4.084 -4.198 -4.311 -4.425 -4.540 -4.655 -4.770 -4.886 -5.002 -5.119 -5.236 -5.353 -5.471 -5.589 -5.706 -5.823 -5.940 -6.055 -6.170 -6.283 -6.394 0.869 0.473 0.106 -0.236 -0.557 -0.862 -1.153 -1.433 -1.706 -1.974 -2.238 -2.500 -2.760 -3.018 -3.276 -3.787 -3.889 -3.991 -4.093 -4.195 -4.298 -4.401 -4.504 -4.607 -4.711 -4.815 -4.920 -5.025 -5.130 -5.236 -5.342 -5.448 -5.555 -5.661 -5.768 -5.875 0.919 0.531 0.168 -0.170 -0.487 -0.785 -1.070 -1.342 -1.604 -1.859 -2.109 -2.354 -2.597 -2.837 -3.074 -3.543 -3.636 -3.729 -3.822 -3.915 -4.007 -4.100 -4.193 -4.286 -4.380 -4.474 -4.567 -4.662 -4.756 -4.851 -4.947 -5.042 -5.138 -5.235 -5.332 -5.430 0.952 0.576 0.220 -0.114 -0.425 -0.719 -0.997 -1.261 -1.515 -1.760 -1.998 -2.230 -2.458 -2.682 -2.904 -3.338 -3.424 -3.509 -3.595 -3.680 -3.765 -3.850 -3.935 -4.020 -4.105 -4.190 -4.275 -4.361 -4.447 -4.533 -4.619 -4.706 -4.793 -4.881 -4.969 -5.057 0.971 0.611 0.262 -0.065 -0.372 -0.660 -0.932 -1.190 -1.437 -1.673 -1.901 -2.123 -2.338 -2.550 -2.757 -3.162 -3.242 -3.322 -3.401 -3.480 -3.558 -3.637 -3.715 -3.794 -3.872 -3.950 -4.029 -4.107 -4.186 -4.264 -4.344 -4.423 -4.503 -4.583 -4.663 -4.744 0.979 0.638 0.298 -0.023 -0.325 -0.608 -0.875 -1.127 -1.367 -1.596 -1.816 -2.028 -2.234 -2.434 -2.630 -3.010 -3.085 -3.159 -3.233 -3.307 -3.380 -3.453 -3.526 -3.599 -3.671 -3.744 -3.817 -3.889 -3.962 -4.035 -4.108 -4.181 -4.255 -4.328 -4.403 -4.477 0.977 0.658 0.328 0.013 -0.283 -0.562 -0.823 -1.071 -1.305 -1.527 -1.740 -1.944 -2.141 -2.332 -2.517 -2.877 -2.947 -3.017 -3.086 -3.155 -3.224 -3.292 -3.361 -3.429 -3.497 -3.564 -3.632 -3.700 -3.768 -3.836 -3.904 -3.972 -4.040 -4.109 -4.178 -4.247 99999.999 0.672 0.352 0.043 -0.247 -0.520 -0.777 -1.019 -1.248 -1.465 -1.671 -1.869 -2.058 -2.240 -2.418 -2.758 -2.825 -2.891 -2.956 -3.021 -3.086 -3.151 -3.215 -3.279 -3.343 -3.407 -3.470 -3.534 -3.598 -3.662 -3.725 -3.789 -3.853 -3.918 -3.982 -4.047 alabandite MnS P-T:All Wt.(g/mol) = 87.000 V(cc/mol) = 21.460 D(g/cc) = 4.054 Ref: Shock07 3 1.000 14 -2.000 31 1.000 4 152.492 138.362 126.132 115.461 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.492 138.362 126.132 115.461 106.056 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.494 138.364 126.134 115.463 106.058 97.688 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.498 138.368 126.138 115.466 106.061 97.691 90.172 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.505 138.374 126.144 115.472 106.067 97.697 90.178 83.362 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.516 138.384 126.153 115.481 106.076 97.706 90.187 83.371 77.138 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.532 138.400 126.168 115.495 106.089 97.719 90.201 83.386 77.154 71.397 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.556 138.421 126.188 115.514 106.108 97.739 90.221 83.407 77.177 71.423 66.045 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.588 138.451 126.216 115.541 106.135 97.765 90.248 83.436 77.208 71.459 66.088 60.993 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.631 138.491 126.253 115.577 106.170 97.801 90.285 83.474 77.250 71.506 66.145 61.067 56.153 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.687 138.542 126.302 115.624 106.217 97.847 90.332 83.524 77.304 71.567 66.218 61.161 56.287 51.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.759 138.609 126.365 115.685 106.276 97.906 90.392 83.588 77.372 71.643 66.309 61.278 56.449 51.675 46.539 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.814 138.660 126.413 115.731 106.321 97.951 90.439 83.636 77.424 71.702 66.378 61.364 56.567 51.855 46.896 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.893 138.733 126.482 115.797 106.386 98.016 90.505 83.705 77.498 71.784 66.474 61.484 56.728 52.092 47.315 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 152.972 138.805 126.550 115.863 106.450 98.080 90.569 83.773 77.570 71.864 66.566 61.598 56.878 52.308 47.672 38.527 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.049 138.876 126.618 115.927 106.513 98.143 90.634 83.839 77.641 71.942 66.656 61.707 57.020 52.506 47.987 40.008 37.842 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.126 138.947 126.685 115.992 106.576 98.205 90.697 83.905 77.711 72.018 66.742 61.811 57.153 52.688 48.269 40.521 38.756 36.795 34.432 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.202 139.018 126.751 116.055 106.638 98.267 90.759 83.969 77.779 72.092 66.827 61.911 57.278 52.857 48.522 40.873 39.235 37.529 35.692 33.632 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.278 139.087 126.816 116.118 106.699 98.328 90.821 84.033 77.846 72.165 66.908 62.007 57.397 53.013 48.751 41.155 39.583 37.983 36.330 34.586 32.702 30.636 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.353 139.157 126.882 116.181 106.760 98.388 90.882 84.096 77.912 72.236 66.988 62.099 57.509 53.158 48.958 41.395 39.866 38.327 36.765 35.162 33.493 31.733 29.861 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.427 139.225 126.946 116.242 106.820 98.447 90.942 84.157 77.977 72.306 67.065 62.188 57.616 53.293 49.145 41.607 40.109 38.611 37.105 35.580 34.024 32.421 30.758 29.024 27.218 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.501 139.293 127.010 116.304 106.880 98.506 91.001 84.218 78.041 72.375 67.141 62.274 57.717 53.419 49.314 41.799 40.325 38.856 37.389 35.915 34.427 32.916 31.373 29.790 28.163 26.493 24.791 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.574 139.361 127.074 116.365 106.939 98.565 91.060 84.279 78.104 72.442 67.214 62.356 57.814 53.536 49.467 41.974 40.519 39.074 37.636 36.198 34.757 33.305 31.838 30.350 28.836 27.297 25.734 24.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.647 139.428 127.137 116.425 106.997 98.623 91.118 84.338 78.166 72.508 67.286 62.437 57.906 53.645 49.606 42.137 40.698 39.272 37.856 36.446 35.039 33.630 32.215 30.790 29.352 27.901 26.435 24.960 23.481 22.007 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 153.719 139.494 127.199 116.485 107.056 98.680 91.176 84.397 78.228 72.573 67.356 62.514 57.994 53.748 49.732 42.290 40.864 39.454 38.056 36.668 35.287 33.910 32.533 31.154 29.770 28.380 26.985 25.584 24.183 22.787 21.402 99999.999 99999.999 99999.999 99999.999 99999.999 153.790 139.560 127.262 116.544 107.113 98.737 91.233 84.455 78.288 72.637 67.425 62.590 58.078 53.845 49.847 42.434 41.019 39.622 38.240 36.870 35.511 34.158 32.811 31.466 30.122 28.778 27.433 26.089 24.747 23.410 22.084 20.774 19.485 99999.999 99999.999 99999.999 153.861 139.626 127.323 116.603 107.170 98.793 91.289 84.513 78.348 72.700 67.493 62.663 58.160 53.937 49.954 42.570 41.166 39.780 38.411 37.057 35.715 34.382 33.058 31.741 30.428 29.119 27.813 26.511 25.213 23.923 22.644 21.379 20.132 18.909 99999.999 99999.999 153.932 139.691 127.384 116.661 107.227 98.849 91.345 84.569 78.406 72.762 67.559 62.735 58.238 54.024 50.054 42.700 41.304 39.929 38.571 37.230 35.903 34.588 33.283 31.987 30.699 29.417 28.142 26.873 25.611 24.358 23.116 21.887 20.676 19.485 18.319 17.180 154.002 139.755 127.445 116.720 107.283 98.904 91.400 84.625 78.464 72.823 67.624 62.805 58.315 54.109 50.149 42.823 41.436 40.069 38.722 37.392 36.078 34.777 33.489 32.211 30.944 29.685 28.434 27.192 25.958 24.735 23.522 22.324 21.141 19.977 18.836 17.719 154.676 140.379 128.031 117.279 107.824 99.434 91.927 85.157 79.010 73.390 68.222 63.444 59.004 54.858 50.970 43.844 42.508 41.198 39.912 38.650 37.409 36.189 34.989 33.807 32.643 31.496 30.365 29.249 28.149 27.063 25.992 24.935 23.892 22.864 21.850 20.851 155.311 140.967 128.584 117.805 108.330 99.928 92.414 85.645 79.505 73.898 68.751 63.998 59.590 55.483 51.641 44.630 43.321 42.041 40.786 39.557 38.351 37.169 36.008 34.868 33.748 32.647 31.564 30.499 29.450 28.418 27.401 26.399 25.412 24.439 23.480 22.535 155.914 141.527 129.110 118.304 108.810 100.394 92.872 86.100 79.962 74.363 69.229 64.494 60.109 56.028 52.217 45.283 43.992 42.730 41.495 40.287 39.103 37.943 36.806 35.691 34.597 33.523 32.468 31.431 30.412 29.410 28.425 27.455 26.500 25.560 24.634 23.722 156.494 142.065 129.615 118.783 109.269 100.838 93.307 86.529 80.390 74.795 69.669 64.946 60.577 56.516 52.728 45.849 44.570 43.321 42.100 40.906 39.737 38.593 37.472 36.374 35.297 34.241 33.204 32.187 31.187 30.206 29.241 28.292 27.359 26.440 25.537 24.647 157.053 142.583 130.100 119.243 109.709 101.264 93.721 86.937 80.795 75.201 70.079 65.365 61.007 56.961 53.189 46.351 45.082 43.843 42.632 41.448 40.290 39.157 38.048 36.962 35.898 34.854 33.831 32.827 31.842 30.874 29.924 28.990 28.072 27.169 26.282 25.408 157.597 143.086 130.571 119.688 110.135 101.673 94.120 87.328 81.181 75.586 70.466 65.757 61.407 57.371 53.613 46.806 45.544 44.312 43.109 41.933 40.783 39.659 38.559 37.481 36.426 35.393 34.379 33.386 32.411 31.454 30.514 29.591 28.685 27.794 26.917 26.055 158.127 143.577 131.028 120.120 110.547 102.070 94.504 87.704 81.552 75.954 70.834 66.128 61.783 57.754 54.005 47.222 45.966 44.740 43.543 42.373 41.230 40.112 39.019 37.949 36.901 35.874 34.869 33.882 32.915 31.967 31.035 30.121 29.223 28.340 27.473 26.620 99999.999 144.057 131.475 120.541 110.948 102.455 94.877 88.067 81.909 76.307 71.186 66.480 62.138 58.115 54.373 47.609 46.357 45.136 43.943 42.778 41.640 40.527 39.439 38.374 37.332 36.311 35.311 34.331 33.371 32.428 31.503 30.595 29.704 28.828 27.967 27.121 alunite KAl3(OH)6(SO4)2 P-T:All Wt.(g/mol) = 414.214 V(cc/mol) = 293.600 D(g/cc) = 1.411 Ref: Shock07 5 1.000 12 3.000 8 2.000 4 6.000 2 -6.000 1 0.732 -2.402 -5.354 -8.089 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.732 -2.402 -5.354 -8.089 -10.643 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.739 -2.395 -5.348 -8.084 -10.637 -13.056 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.753 -2.383 -5.337 -8.073 -10.627 -13.045 -15.373 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.776 -2.362 -5.317 -8.055 -10.609 -13.028 -15.355 -17.633 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.813 -2.329 -5.286 -8.025 -10.581 -13.000 -15.327 -17.604 -19.869 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.868 -2.279 -5.240 -7.982 -10.539 -12.958 -15.285 -17.561 -19.823 -22.122 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.946 -2.208 -5.174 -7.919 -10.478 -12.899 -15.225 -17.499 -19.757 -22.050 -24.447 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.055 -2.111 -5.083 -7.833 -10.395 -12.816 -15.142 -17.414 -19.667 -21.951 -24.332 -26.903 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.199 -1.980 -4.962 -7.718 -10.284 -12.707 -15.032 -17.300 -19.547 -21.819 -24.181 -26.716 -29.516 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.388 -1.810 -4.804 -7.568 -10.139 -12.565 -14.889 -17.153 -19.392 -21.650 -23.985 -26.477 -29.211 -32.250 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.629 -1.592 -4.601 -7.376 -9.954 -12.382 -14.706 -16.965 -19.194 -21.434 -23.739 -26.176 -28.827 -31.791 -35.044 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.815 -1.423 -4.444 -7.227 -9.810 -12.241 -14.565 -16.820 -19.042 -21.270 -23.552 -25.949 -28.537 -31.423 -34.907 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.080 -1.183 -4.221 -7.015 -9.606 -12.041 -14.364 -16.615 -18.828 -21.038 -23.289 -25.633 -28.134 -30.899 -34.333 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.343 -0.945 -3.999 -6.805 -9.404 -11.843 -14.166 -16.413 -18.617 -20.812 -23.034 -25.329 -27.750 -30.392 -33.650 -22.088 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.603 -0.709 -3.780 -6.597 -9.204 -11.647 -13.970 -16.213 -18.409 -20.589 -22.786 -25.036 -27.383 -29.907 -32.958 -30.196 -27.114 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.861 -0.475 -3.562 -6.391 -9.005 -11.452 -13.776 -16.016 -18.205 -20.371 -22.545 -24.754 -27.034 -29.449 -32.292 -31.914 -31.101 -29.382 -26.952 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.116 -0.242 -3.345 -6.186 -8.808 -11.260 -13.584 -15.822 -18.003 -20.158 -22.309 -24.482 -26.701 -29.018 -31.667 -32.500 -32.400 -31.885 -30.860 -29.453 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.369 -0.012 -3.131 -5.983 -8.613 -11.069 -13.395 -15.629 -17.805 -19.948 -22.080 -24.220 -26.386 -28.616 -31.089 -32.697 -32.908 -32.897 -32.599 -31.990 -31.160 -30.361 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.620 0.217 -2.918 -5.781 -8.419 -10.880 -13.207 -15.439 -17.609 -19.742 -21.856 -23.967 -26.086 -28.240 -30.561 -32.714 -33.090 -33.330 -33.398 -33.264 -32.929 -32.455 -31.978 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.869 0.444 -2.706 -5.581 -8.227 -10.692 -13.021 -15.252 -17.416 -19.539 -21.637 -23.723 -25.802 -27.892 -30.083 -32.637 -33.110 -33.492 -33.763 -33.900 -33.891 -33.745 -33.506 -33.250 -33.071 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.116 0.669 -2.496 -5.382 -8.036 -10.506 -12.837 -15.066 -17.226 -19.339 -21.424 -23.487 -25.532 -27.568 -29.653 -32.505 -33.038 -33.509 -33.902 -34.202 -34.399 -34.487 -34.477 -34.397 -34.294 -34.220 -34.216 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.360 0.893 -2.287 -5.185 -7.847 -10.322 -12.654 -14.882 -17.037 -19.143 -21.215 -23.258 -25.275 -27.268 -29.269 -32.339 -32.913 -33.440 -33.911 -34.316 -34.645 -34.892 -35.055 -35.143 -35.176 -35.181 -35.187 -35.217 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.603 1.115 -2.080 -4.989 -7.659 -10.139 -12.473 -14.700 -16.851 -18.950 -21.010 -23.037 -25.031 -26.988 -28.926 -32.152 -32.753 -33.319 -33.842 -34.316 -34.733 -35.088 -35.376 -35.597 -35.759 -35.873 -35.955 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-5.722 -5.858 -6.022 -6.210 -6.416 -6.635 -6.866 -7.106 -7.354 -7.609 -7.872 -8.140 -8.415 -8.980 -9.095 -9.211 -9.328 -9.446 -9.564 -9.684 -9.804 -9.925 -10.047 -10.170 -10.294 -10.419 -10.545 -10.673 -10.801 -10.930 -11.060 -11.191 -11.324 -11.457 -5.276 -5.381 -5.501 -5.649 -5.821 -6.013 -6.221 -6.440 -6.669 -6.904 -7.146 -7.393 -7.646 -7.902 -8.164 -8.698 -8.807 -8.916 -9.026 -9.137 -9.248 -9.360 -9.473 -9.586 -9.700 -9.815 -9.931 -10.047 -10.165 -10.283 -10.402 -10.522 -10.643 -10.765 -10.888 -11.012 -5.021 -5.152 -5.289 -5.448 -5.628 -5.825 -6.035 -6.255 -6.483 -6.715 -6.953 -7.193 -7.437 -7.685 -7.935 -8.445 -8.548 -8.652 -8.756 -8.861 -8.967 -9.073 -9.179 -9.286 -9.394 -9.502 -9.611 -9.721 -9.832 -9.943 -10.055 -10.168 -10.282 -10.396 -10.512 -10.628 99999.999 -4.932 -5.086 -5.256 -5.443 -5.645 -5.858 -6.079 -6.306 -6.537 -6.770 -7.006 -7.244 -7.483 -7.725 -8.214 -8.313 -8.412 -8.512 -8.612 -8.713 -8.814 -8.915 -9.017 -9.120 -9.223 -9.327 -9.431 -9.536 -9.642 -9.748 -9.855 -9.963 -10.072 -10.182 -10.292 artinite Mg2(OH)2(CO3)*3H2O P-T:All Wt.(g/mol) = 196.690 V(cc/mol) = 96.900 D(g/cc) = 2.030 Ref: Shock07 4 2.000 10 1.000 5 5.000 2 -3.000 1 21.737 19.656 17.892 16.393 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.737 19.656 17.892 16.393 15.102 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.738 19.657 17.893 16.393 15.102 13.973 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.739 19.658 17.894 16.394 15.103 13.974 12.969 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.742 19.660 17.896 16.396 15.105 13.976 12.971 12.060 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.745 19.663 17.898 16.398 15.107 13.979 12.974 12.063 11.221 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.751 19.667 17.902 16.402 15.111 13.983 12.979 12.068 11.227 10.427 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.759 19.674 17.908 16.408 15.117 13.988 12.985 12.076 11.235 10.438 9.655 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.770 19.682 17.916 16.415 15.124 13.996 12.993 12.085 11.247 10.452 9.674 8.878 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.784 19.694 17.927 16.425 15.134 14.006 13.005 12.098 11.262 10.471 9.699 8.913 8.082 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.802 19.709 17.940 16.438 15.147 14.020 13.019 12.115 11.281 10.495 9.731 8.958 8.146 7.273 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.826 19.728 17.957 16.454 15.163 14.036 13.037 12.135 11.306 10.526 9.770 9.014 8.226 7.374 6.461 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.843 19.742 17.970 16.466 15.175 14.049 13.051 12.151 11.324 10.548 9.800 9.055 8.286 7.456 6.476 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.868 19.762 17.988 16.483 15.192 14.067 13.070 12.173 11.350 10.579 9.841 9.111 8.367 7.573 6.607 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.891 19.782 18.005 16.500 15.208 14.084 13.089 12.194 11.374 10.610 9.880 9.165 8.444 7.686 6.770 10.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.914 19.801 18.022 16.516 15.224 14.100 13.107 12.214 11.398 10.638 9.917 9.215 8.516 7.792 6.936 7.862 8.758 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.937 19.819 18.039 16.532 15.240 14.117 13.125 12.234 11.421 10.666 9.952 9.263 8.584 7.891 7.096 7.334 7.596 8.111 8.805 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.958 19.837 18.055 16.547 15.255 14.132 13.142 12.253 11.443 10.693 9.985 9.307 8.646 7.982 7.243 7.128 7.188 7.366 7.687 8.106 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.979 19.854 18.070 16.562 15.270 14.148 13.158 12.272 11.465 10.718 10.017 9.349 8.704 8.065 7.377 7.035 7.005 7.040 7.158 7.363 7.625 7.866 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 21.999 19.871 18.086 16.576 15.284 14.162 13.174 12.290 11.485 10.743 10.048 9.389 8.757 8.140 7.497 6.994 6.916 6.880 6.894 6.966 7.095 7.259 7.418 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.018 19.887 18.100 16.590 15.298 14.177 13.190 12.307 11.505 10.767 10.077 9.426 8.806 8.208 7.603 6.981 6.875 6.797 6.753 6.748 6.786 6.862 6.963 7.064 7.138 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.037 19.903 18.115 16.604 15.312 14.191 13.205 12.324 11.525 10.789 10.104 9.460 8.851 8.269 7.694 6.985 6.861 6.757 6.677 6.626 6.605 6.617 6.655 6.713 6.774 6.824 6.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.056 19.919 18.129 16.617 15.325 14.205 13.220 12.340 11.544 10.811 10.131 9.493 8.892 8.323 7.773 6.999 6.863 6.742 6.639 6.558 6.499 6.466 6.456 6.468 6.495 6.529 6.559 6.581 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.073 19.934 18.142 16.630 15.338 14.218 13.234 12.356 11.562 10.833 10.156 9.524 8.930 8.372 7.840 7.019 6.875 6.743 6.625 6.523 6.439 6.374 6.330 6.305 6.297 6.302 6.316 6.332 6.348 6.362 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 22.090 19.948 18.156 16.643 15.350 14.231 13.248 12.372 11.580 10.853 10.180 9.553 8.965 8.414 7.896 7.044 6.894 6.754 6.625 6.509 6.407 6.321 6.251 6.198 6.161 6.139 6.129 6.128 6.134 6.145 6.160 99999.999 99999.999 99999.999 99999.999 99999.999 22.107 19.962 18.169 16.655 15.362 14.243 13.261 12.387 11.597 10.873 10.204 9.580 8.997 8.453 7.944 7.071 6.917 6.771 6.635 6.510 6.395 6.293 6.205 6.131 6.071 6.025 5.992 5.970 5.959 5.957 5.964 5.979 6.003 99999.999 99999.999 99999.999 22.123 19.976 18.181 16.667 15.374 14.256 13.274 12.401 11.613 10.893 10.226 9.606 9.027 8.487 7.984 7.101 6.944 6.794 6.652 6.519 6.396 6.283 6.181 6.091 6.013 5.948 5.895 5.854 5.825 5.806 5.798 5.801 5.814 5.840 99999.999 99999.999 22.138 19.989 18.193 16.679 15.386 14.268 13.287 12.416 11.629 10.911 10.248 9.631 9.056 8.519 8.019 7.131 6.972 6.820 6.674 6.536 6.406 6.285 6.173 6.071 5.979 5.899 5.829 5.772 5.725 5.690 5.666 5.653 5.652 5.663 5.688 5.727 22.153 20.002 18.205 16.690 15.397 14.279 13.300 12.429 11.645 10.929 10.269 9.655 9.083 8.549 8.051 7.163 7.002 6.848 6.699 6.557 6.422 6.295 6.175 6.064 5.962 5.870 5.787 5.715 5.654 5.603 5.564 5.536 5.519 5.515 5.523 5.545 22.279 20.114 18.310 16.791 15.497 14.382 13.409 12.550 11.781 11.086 10.449 9.861 9.316 8.808 8.333 7.472 7.312 7.156 7.003 6.853 6.707 6.564 6.424 6.287 6.153 6.022 5.894 5.770 5.649 5.531 5.417 5.308 5.202 5.102 5.006 4.915 22.366 20.199 18.391 16.870 15.577 14.464 13.496 12.645 11.888 11.207 10.589 10.022 9.498 9.012 8.559 7.737 7.584 7.435 7.289 7.145 7.005 6.866 6.730 6.597 6.465 6.335 6.208 6.081 5.957 5.834 5.713 5.593 5.474 5.358 5.242 5.129 22.425 20.264 18.456 16.935 15.642 14.531 13.567 12.722 11.974 11.305 10.700 10.149 9.643 9.176 8.741 7.957 7.812 7.669 7.530 7.394 7.261 7.129 7.001 6.874 6.749 6.626 6.504 6.384 6.265 6.147 6.031 5.915 5.800 5.686 5.572 5.459 22.461 20.312 18.508 16.987 15.695 14.586 13.625 12.785 12.044 11.384 10.791 10.253 9.762 9.310 8.892 8.140 8.001 7.866 7.733 7.604 7.477 7.352 7.230 7.110 6.992 6.876 6.761 6.648 6.536 6.425 6.315 6.206 6.098 5.990 5.882 5.775 22.480 20.348 18.549 17.031 15.740 14.633 13.675 12.839 12.103 11.450 10.866 10.339 9.860 9.421 9.017 8.294 8.161 8.031 7.904 7.781 7.660 7.542 7.425 7.312 7.200 7.090 6.981 6.874 6.769 6.664 6.561 6.458 6.356 6.255 6.154 6.054 22.485 20.375 18.582 17.067 15.779 14.673 13.718 12.885 12.154 11.507 10.930 10.411 9.942 9.515 9.122 8.424 8.296 8.171 8.050 7.931 7.816 7.703 7.592 7.483 7.377 7.272 7.169 7.068 6.968 6.869 6.771 6.675 6.579 6.483 6.389 6.294 22.479 20.396 18.609 17.098 15.811 14.708 13.755 12.925 12.198 11.555 10.984 10.473 10.012 9.594 9.212 8.535 8.412 8.291 8.175 8.061 7.949 7.841 7.735 7.631 7.529 7.429 7.331 7.234 7.139 7.045 6.953 6.861 6.770 6.680 6.590 6.501 99999.999 20.411 18.632 17.124 15.840 14.739 13.788 12.961 12.236 11.598 11.032 10.527 10.073 9.663 9.289 8.631 8.511 8.395 8.282 8.172 8.065 7.960 7.858 7.758 7.661 7.565 7.471 7.378 7.287 7.198 7.109 7.022 6.935 6.849 6.764 6.679 azurite Cu3(OH)2(CO3)2 P-T:All Wt.(g/mol) = 344.670 V(cc/mol) = 91.010 D(g/cc) = 3.787 Ref: Shock07 6 -0.625 1 -0.375 6 2.000 5 3.000 16 0.375 4 0.500 2 4.844 4.718 4.550 4.366 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.844 4.718 4.550 4.366 4.170 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.846 4.720 4.552 4.367 4.171 3.958 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.849 4.722 4.554 4.370 4.173 3.960 3.726 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.855 4.727 4.558 4.373 4.176 3.964 3.730 3.468 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.863 4.734 4.564 4.379 4.182 3.969 3.736 3.474 3.175 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.877 4.744 4.573 4.388 4.190 3.978 3.744 3.483 3.186 2.837 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.895 4.759 4.586 4.400 4.202 3.990 3.757 3.497 3.201 2.855 2.437 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.921 4.780 4.604 4.417 4.218 4.006 3.774 3.515 3.221 2.879 2.467 1.948 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.954 4.807 4.628 4.439 4.240 4.028 3.796 3.539 3.248 2.911 2.507 2.002 1.336 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 4.998 4.842 4.659 4.468 4.268 4.056 3.825 3.570 3.283 2.952 2.558 2.071 1.439 0.542 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.054 4.887 4.699 4.505 4.303 4.091 3.862 3.610 3.327 3.003 2.621 2.155 1.562 0.749 -0.638 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.096 4.921 4.729 4.533 4.331 4.118 3.890 3.640 3.360 3.041 2.668 2.217 1.651 0.892 -0.324 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.156 4.969 4.772 4.572 4.369 4.157 3.930 3.683 3.407 3.095 2.734 2.303 1.771 1.077 0.027 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.214 5.016 4.814 4.612 4.407 4.195 3.969 3.724 3.453 3.148 2.797 2.383 1.882 1.243 0.316 -2.948 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.271 5.063 4.855 4.650 4.444 4.232 4.007 3.765 3.497 3.198 2.857 2.460 1.986 1.394 0.567 -1.142 -2.249 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.327 5.108 4.895 4.688 4.480 4.268 4.045 3.804 3.541 3.247 2.915 2.532 2.082 1.531 0.787 -0.597 -1.206 -2.078 -3.415 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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3.127 2.790 2.412 1.979 1.458 0.393 0.094 -0.236 -0.607 -1.028 -1.511 -2.071 -2.719 -3.464 -4.300 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.589 5.323 5.087 4.866 4.653 4.440 4.221 3.990 3.742 3.472 3.176 2.848 2.482 2.070 1.585 0.552 0.279 -0.020 -0.349 -0.714 -1.123 -1.584 -2.104 -2.691 -3.347 -4.067 -4.840 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.639 5.364 5.123 4.900 4.686 4.473 4.254 4.025 3.780 3.514 3.223 2.903 2.549 2.154 1.699 0.696 0.442 0.167 -0.132 -0.458 -0.817 -1.213 -1.653 -2.140 -2.677 -3.264 -3.897 -4.567 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.687 5.404 5.159 4.934 4.718 4.505 4.287 4.059 3.817 3.554 3.269 2.956 2.612 2.232 1.801 0.827 0.588 0.333 0.058 -0.240 -0.563 -0.914 -1.298 -1.718 -2.175 -2.671 -3.203 -3.769 -4.359 -4.967 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.734 5.443 5.194 4.967 4.750 4.536 4.319 4.093 3.853 3.594 3.313 3.007 2.672 2.304 1.894 0.948 0.723 0.482 0.226 -0.049 -0.344 -0.663 -1.007 -1.378 -1.779 -2.209 -2.669 -3.157 -3.667 -4.195 -4.733 99999.999 99999.999 99999.999 99999.999 99999.999 5.781 5.481 5.229 4.999 4.781 4.568 4.351 4.126 3.888 3.633 3.356 3.056 2.729 2.372 1.978 1.061 0.846 0.619 0.378 0.122 -0.152 -0.445 -0.758 -1.094 -1.452 -1.835 -2.242 -2.671 -3.119 -3.585 -4.061 -4.544 -5.026 99999.999 99999.999 99999.999 5.826 5.519 5.263 5.031 4.812 4.598 4.382 4.159 3.923 3.671 3.398 3.103 2.784 2.436 2.054 1.166 0.962 0.746 0.518 0.276 0.020 -0.252 -0.541 -0.849 -1.175 -1.522 -1.887 -2.272 -2.673 -3.089 -3.516 -3.950 -4.387 -4.821 99999.999 99999.999 5.871 5.557 5.296 5.062 4.843 4.628 4.413 4.191 3.957 3.708 3.439 3.149 2.836 2.496 2.125 1.266 1.069 0.863 0.646 0.418 0.176 -0.079 -0.348 -0.634 -0.935 -1.252 -1.586 -1.936 -2.300 -2.677 -3.064 -3.458 -3.856 -4.254 -4.649 -5.036 5.914 5.593 5.329 5.093 4.872 4.658 4.443 4.222 3.991 3.744 3.479 3.194 2.887 2.554 2.192 1.360 1.171 0.973 0.766 0.549 0.320 0.079 -0.174 -0.441 -0.721 -1.016 -1.324 -1.646 -1.980 -2.325 -2.680 -3.042 -3.408 -3.776 -4.142 -4.503 6.308 5.928 5.633 5.379 5.149 4.932 4.721 4.510 4.295 4.072 3.837 3.589 3.327 3.049 2.754 2.104 1.963 1.818 1.668 1.514 1.355 1.191 1.022 0.848 0.669 0.485 0.295 0.101 -0.099 -0.303 -0.511 -0.724 -0.940 -1.159 -1.381 -1.604 6.635 6.215 5.897 5.630 5.392 5.173 4.964 4.760 4.556 4.349 4.136 3.915 3.684 3.442 3.188 2.643 2.527 2.409 2.288 2.164 2.037 1.907 1.775 1.639 1.501 1.359 1.214 1.066 0.916 0.762 0.605 0.445 0.283 0.118 -0.049 -0.218 6.910 6.463 6.129 5.852 5.609 5.387 5.180 4.981 4.786 4.591 4.394 4.192 3.983 3.768 3.544 3.070 2.971 2.869 2.766 2.661 2.554 2.446 2.335 2.222 2.107 1.989 1.870 1.748 1.624 1.498 1.370 1.240 1.107 0.972 0.836 0.697 7.143 6.680 6.335 6.051 5.803 5.581 5.374 5.179 4.990 4.805 4.620 4.433 4.242 4.047 3.846 3.425 3.337 3.248 3.158 3.066 2.973 2.878 2.782 2.684 2.585 2.484 2.381 2.277 2.171 2.063 1.953 1.842 1.729 1.614 1.497 1.379 7.342 6.872 6.520 6.230 5.980 5.756 5.551 5.358 5.175 4.997 4.821 4.646 4.470 4.291 4.108 3.728 3.649 3.569 3.488 3.407 3.324 3.240 3.155 3.068 2.980 2.891 2.800 2.708 2.615 2.520 2.424 2.326 2.227 2.126 2.023 1.920 7.512 7.043 6.687 6.394 6.142 5.917 5.713 5.523 5.343 5.171 5.003 4.838 4.673 4.507 4.338 3.991 3.920 3.848 3.775 3.701 3.626 3.550 3.473 3.395 3.316 3.236 3.155 3.072 2.988 2.903 2.817 2.729 2.640 2.550 2.458 2.365 7.658 7.196 6.839 6.544 6.290 6.066 5.862 5.675 5.499 5.331 5.170 5.012 4.857 4.701 4.545 4.225 4.159 4.093 4.026 3.958 3.890 3.821 3.750 3.679 3.607 3.534 3.460 3.385 3.309 3.232 3.153 3.073 2.992 2.910 2.826 2.741 99999.999 7.335 6.977 6.682 6.428 6.204 6.001 5.815 5.642 5.479 5.323 5.172 5.024 4.877 4.731 4.434 4.373 4.312 4.250 4.187 4.124 4.060 3.996 3.930 3.864 3.797 3.729 3.659 3.589 3.518 3.445 3.372 3.297 3.221 3.143 3.065 azurite Cu3(OH)2(CO3)2 P-T:All Wt.(g/mol) = 344.670 V(cc/mol) = 91.010 D(g/cc) = 3.787 Ref: Shock07 5 -1.000 1 0.750 31 2.000 5 3.000 16 0.500 2 -52.193 -47.150 -42.864 -39.176 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -52.193 -47.150 -42.864 -39.176 -35.974 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -52.192 -47.150 -42.864 -39.176 -35.973 -33.173 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-8.130 -8.319 -8.515 -8.719 -8.928 -9.364 -9.453 -9.544 -9.635 -9.726 -9.819 -9.912 -10.006 -10.101 -10.196 -10.292 -10.389 -10.487 -10.585 -10.685 -10.785 -10.886 -10.988 -11.091 -11.194 -11.299 berndtite SnS2 P-T:All Wt.(g/mol) = 182.820 V(cc/mol) = 40.960 D(g/cc) = 4.463 Ref: Shock07 5 1.000 42 0.250 4 1.750 6 0.250 1 -1.000 2 -36.179 -33.271 -30.970 -29.119 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -36.179 -33.271 -30.970 -29.119 -27.619 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -35.848 -33.002 -30.725 -28.881 -27.376 -26.148 -25.150 -24.346 -23.713 -23.230 -22.887 -22.675 -22.596 -22.664 -22.948 -23.188 -23.400 -23.673 -24.052 -24.622 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -35.815 -32.975 -30.700 -28.856 -27.351 -26.122 -25.121 -24.314 -23.676 -23.187 -22.835 -22.609 -22.509 -22.543 -22.763 -23.002 -23.179 -23.396 -23.667 -24.022 -24.507 -25.170 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -35.782 -32.948 -30.675 -28.832 -27.327 -26.096 -25.093 -24.283 -23.640 -23.146 -22.784 -22.547 -22.428 -22.432 -22.596 -22.838 -22.991 -23.173 -23.393 -23.661 -23.998 -24.427 -24.974 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -35.750 -32.921 -30.650 -28.808 -27.302 -26.071 -25.065 -24.252 -23.605 -23.105 -22.736 -22.487 -22.351 -22.329 -22.447 -22.690 -22.824 -22.983 -23.170 -23.391 -23.655 -23.975 -24.363 -24.834 -25.392 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -35.718 -32.894 -30.626 -28.784 -27.278 -26.045 -25.038 -24.222 -23.571 -23.065 -22.689 -22.430 -22.280 -22.236 -22.313 -22.554 -22.673 -22.813 -22.977 -23.167 -23.389 -23.648 -23.952 -24.309 -24.725 -25.201 -25.731 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -35.687 -32.868 -30.602 -28.761 -27.255 -26.020 -25.011 -24.192 -23.538 -23.027 -22.644 -22.375 -22.212 -22.149 -22.194 -22.427 -22.534 -22.660 -22.805 -22.973 -23.165 -23.386 -23.638 -23.928 -24.258 -24.632 -25.047 -25.500 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -35.657 -32.843 -30.578 -28.738 -27.231 -25.996 -24.985 -24.163 -23.505 -22.989 -22.600 -22.323 -22.148 -22.069 -22.088 -22.310 -22.406 -22.519 -22.650 -22.799 -22.970 -23.163 -23.382 -23.627 -23.903 -24.211 -24.550 -24.918 -25.312 -25.723 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -35.627 -32.818 -30.555 -28.715 -27.208 -25.972 -24.959 -24.135 -23.473 -22.953 -22.557 -22.273 -22.088 -21.996 -21.993 -22.199 -22.286 -22.388 -22.506 -22.642 -22.795 -22.967 -23.161 -23.376 -23.614 -23.877 -24.164 -24.474 -24.805 -25.153 -25.511 99999.999 99999.999 99999.999 99999.999 99999.999 -35.598 -32.793 -30.532 -28.692 -27.185 -25.948 -24.933 -24.107 -23.441 -22.917 -22.516 -22.224 -22.031 -21.927 -21.908 -22.094 -22.173 -22.266 -22.373 -22.496 -22.636 -22.792 -22.965 -23.157 -23.368 -23.599 -23.849 -24.118 -24.404 -24.704 -25.014 -25.330 -25.647 99999.999 99999.999 99999.999 -35.569 -32.768 -30.509 -28.670 -27.163 -25.925 -24.908 -24.079 -23.410 -22.882 -22.475 -22.178 -21.977 -21.863 -21.831 -21.995 -22.066 -22.151 -22.249 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-18.055 -18.062 -18.072 -18.087 berndtite SnS2 P-T:All Wt.(g/mol) = 182.820 V(cc/mol) = 40.960 D(g/cc) = 4.463 Ref: Shock07 5 1.000 42 2.000 4 2.000 1 -3.500 31 -1.000 2 229.994 208.783 190.298 174.080 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 229.994 208.783 190.298 174.080 159.716 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 229.998 208.787 190.302 174.083 159.719 146.876 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 230.005 208.793 190.308 174.089 159.725 146.882 135.291 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 230.018 208.805 190.319 174.100 159.735 146.892 135.302 124.748 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 230.038 208.823 190.336 174.116 159.751 146.908 135.318 124.765 115.068 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 230.067 208.850 190.361 174.140 159.775 146.932 135.343 124.791 115.096 106.096 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 230.109 208.889 190.398 174.175 159.809 146.966 135.378 124.828 115.136 106.142 97.690 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 230.168 208.942 190.448 174.223 159.856 147.013 135.426 124.878 115.191 106.204 97.765 89.706 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 230.246 209.013 190.515 174.288 159.919 147.076 135.490 124.946 115.264 106.287 97.864 89.836 81.994 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 230.347 209.106 190.602 174.371 160.001 147.157 135.573 125.033 115.358 106.393 97.991 90.000 82.231 74.352 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 230.478 209.225 190.714 174.479 160.106 147.262 135.680 125.145 115.478 106.527 98.150 90.202 82.516 74.823 66.256 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 230.579 209.317 190.800 174.562 160.187 147.343 135.762 125.230 115.570 106.629 98.270 90.353 82.724 75.147 66.991 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 230.722 209.449 190.924 174.680 160.302 147.457 135.878 125.351 115.699 106.773 98.437 90.561 83.003 75.567 67.787 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 230.865 209.579 191.046 174.797 160.416 147.570 135.993 125.470 115.826 106.913 98.598 90.759 83.264 75.945 68.435 50.251 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 231.007 209.709 191.168 174.913 160.529 147.683 136.107 125.588 115.951 107.049 98.754 90.948 83.509 76.289 68.992 54.744 50.211 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 231.148 209.837 191.288 175.028 160.641 147.794 136.219 125.704 116.074 107.183 98.906 91.129 83.739 76.605 69.482 56.123 52.817 48.929 44.059 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 231.287 209.965 191.408 175.142 160.752 147.903 136.330 125.818 116.194 107.313 99.053 91.303 83.957 76.897 69.920 56.973 54.055 50.905 47.381 43.305 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 231.426 210.091 191.526 175.255 160.862 148.012 136.439 125.931 116.312 107.441 99.196 91.470 84.163 77.167 70.314 57.609 54.883 52.044 49.027 45.752 42.131 38.116 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 231.564 210.217 191.644 175.368 160.971 148.120 136.548 126.042 116.429 107.567 99.336 91.631 84.358 77.419 70.669 58.126 55.519 52.851 50.088 47.189 44.104 40.790 37.226 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 231.700 210.342 191.761 175.479 161.079 148.227 136.655 126.152 116.544 107.690 99.471 91.786 84.544 77.653 70.992 58.568 56.043 53.484 50.874 48.186 45.393 42.466 39.382 36.132 32.735 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 231.836 210.466 191.877 175.590 161.187 148.332 136.761 126.260 116.657 107.811 99.604 91.936 84.721 77.871 71.284 58.958 56.492 54.012 51.504 48.951 46.337 43.643 40.850 37.949 34.939 31.833 28.659 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 231.971 210.589 191.992 175.700 161.293 148.437 136.866 126.367 116.769 107.930 99.733 92.082 84.889 78.076 71.550 59.309 56.890 54.468 52.034 49.576 47.082 44.540 41.937 39.264 36.516 33.696 30.817 27.899 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 232.105 210.711 192.107 175.809 161.399 148.541 136.970 126.473 116.879 108.046 99.860 92.223 85.051 78.268 71.793 59.629 57.248 54.872 52.495 50.107 47.700 45.265 42.793 40.276 37.710 35.094 32.433 29.738 27.024 24.312 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 232.239 210.833 192.220 175.917 161.503 148.644 137.073 126.578 116.987 108.161 99.984 92.359 85.206 78.449 72.016 59.925 57.575 55.237 52.904 50.571 48.230 45.874 43.497 41.094 38.659 36.191 33.691 31.166 28.625 26.080 23.546 99999.999 99999.999 99999.999 99999.999 99999.999 232.371 210.954 192.333 176.025 161.607 148.746 137.175 126.682 117.095 108.274 100.105 92.492 85.355 78.621 72.221 60.200 57.877 55.570 53.274 50.985 48.696 46.402 44.098 41.779 39.442 37.084 34.707 32.312 29.905 27.495 25.093 22.708 20.355 99999.999 99999.999 99999.999 232.503 211.074 192.446 176.132 161.711 148.847 137.276 126.784 117.201 108.385 100.224 92.622 85.499 78.784 72.412 60.459 58.158 55.878 53.613 51.360 49.113 46.868 44.622 42.369 40.108 37.835 35.552 33.258 30.958 28.657 26.361 24.081 21.824 19.601 99999.999 99999.999 232.634 211.193 192.557 176.238 161.813 148.948 137.376 126.886 117.305 108.495 100.341 92.749 85.639 78.941 72.592 60.704 58.423 56.165 53.927 51.704 49.492 47.288 45.088 42.888 40.687 38.482 36.273 34.059 31.844 29.630 27.423 25.230 23.056 20.910 18.800 16.732 232.764 211.312 192.668 176.343 161.915 149.048 137.476 126.986 117.409 108.603 100.456 92.873 85.775 79.092 72.763 60.936 58.672 56.435 54.219 52.022 49.840 47.670 45.508 43.353 41.200 39.050 36.900 34.752 32.605 30.463 28.330 26.208 24.105 22.026 19.977 17.965 234.027 212.464 193.744 177.364 162.898 150.008 138.427 127.943 118.385 109.615 101.520 94.006 86.996 80.424 74.234 62.807 60.651 58.531 56.447 54.395 52.374 50.382 48.417 46.477 44.561 42.668 40.796 38.944 37.112 35.300 33.506 31.731 29.975 28.238 26.520 24.822 235.230 213.562 194.768 178.333 163.828 150.911 139.315 128.828 119.278 110.529 102.465 94.995 88.040 81.537 75.429 64.219 62.116 60.054 58.031 56.045 54.094 52.177 50.292 48.438 46.612 44.814 43.043 41.297 39.575 37.877 36.202 34.548 32.916 31.305 29.714 28.143 236.385 214.616 195.749 179.260 164.715 151.769 140.154 129.658 120.110 111.370 103.326 95.885 88.967 82.509 76.456 65.385 63.315 61.288 59.302 57.355 55.446 53.572 51.733 49.926 48.150 46.405 44.688 42.999 41.336 39.698 38.085 36.496 34.929 33.385 31.862 30.359 237.503 215.634 196.695 180.153 165.566 152.590 140.955 130.446 120.893 112.157 104.125 96.701 89.809 83.384 77.369 66.394 64.346 62.343 60.382 58.461 56.579 54.734 52.924 51.149 49.405 47.693 46.011 44.358 42.732 41.133 39.559 38.010 36.484 34.982 33.501 32.042 238.590 216.622 197.612 181.017 166.389 153.382 141.724 131.200 121.639 112.901 104.874 97.462 90.587 84.184 78.198 67.292 65.261 63.274 61.331 59.429 57.566 55.741 53.953 52.199 50.478 48.789 47.131 45.502 43.902 42.329 40.782 39.260 37.763 36.289 34.837 33.407 239.653 217.586 198.505 181.856 167.187 154.148 142.466 131.925 122.353 113.610 105.583 98.178 91.314 84.927 78.961 68.107 66.088 64.114 62.184 60.296 58.447 56.637 54.864 53.126 51.421 49.750 48.109 46.498 44.916 43.362 41.835 40.333 38.855 37.402 35.971 34.563 240.696 218.530 199.377 182.673 167.963 154.892 143.185 132.625 123.040 114.290 106.261 98.857 92.001 85.625 79.673 68.858 66.847 64.883 62.963 61.085 59.247 57.449 55.687 53.961 52.269 50.610 48.982 47.385 45.817 44.276 42.763 41.276 39.814 38.375 36.960 35.567 99999.999 219.457 200.231 183.473 168.721 155.618 143.885 133.305 123.706 114.946 106.912 99.507 92.654 86.284 80.343 69.556 67.553 65.596 63.683 61.813 59.984 58.193 56.440 54.723 53.041 51.391 49.774 48.187 46.629 45.100 43.597 42.121 40.670 39.243 37.840 36.458 boehmite AlO(OH) P-T:All Wt.(g/mol) = 59.988 V(cc/mol) = 19.535 D(g/cc) = 3.071 Ref: Shock07 3 1.000 8 2.000 2 -3.000 1 10.491 8.601 6.986 5.595 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.491 8.601 6.986 5.595 4.383 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.492 8.602 6.987 5.596 4.383 3.312 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.493 8.603 6.988 5.597 4.384 3.313 2.354 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.495 8.605 6.990 5.599 4.386 3.315 2.356 1.485 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.499 8.609 6.993 5.602 4.390 3.319 2.359 1.488 0.687 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.504 8.614 6.998 5.607 4.394 3.324 2.365 1.494 0.693 -0.057 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.511 8.621 7.005 5.614 4.401 3.331 2.372 1.502 0.701 -0.047 -0.762 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.520 8.630 7.014 5.623 4.411 3.340 2.382 1.512 0.713 -0.034 -0.747 -1.441 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.533 8.643 7.027 5.635 4.423 3.353 2.395 1.526 0.728 -0.017 -0.726 -1.416 -2.090 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.549 8.660 7.043 5.652 4.439 3.369 2.412 1.544 0.748 0.005 -0.700 -1.383 -2.052 -2.667 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.570 8.681 7.064 5.672 4.459 3.390 2.434 1.567 0.773 0.033 -0.666 -1.342 -2.002 -2.635 -3.051 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.586 8.697 7.080 5.688 4.475 3.406 2.450 1.585 0.792 0.055 -0.641 -1.311 -1.963 -2.597 -3.181 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.608 8.719 7.102 5.710 4.497 3.428 2.473 1.610 0.819 0.085 -0.606 -1.267 -1.907 -2.533 -3.186 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.630 8.742 7.124 5.731 4.519 3.450 2.496 1.634 0.845 0.114 -0.572 -1.225 -1.852 -2.465 -3.123 2.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.651 8.763 7.146 5.753 4.540 3.472 2.519 1.657 0.870 0.142 -0.539 -1.184 -1.800 -2.397 -3.036 -1.234 0.385 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.672 8.785 7.167 5.773 4.561 3.493 2.540 1.680 0.895 0.169 -0.508 -1.145 -1.750 -2.331 -2.942 -2.118 -1.526 -0.489 1.026 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.692 8.805 7.187 5.794 4.581 3.513 2.562 1.703 0.919 0.196 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.767 8.885 7.266 5.872 4.659 3.592 2.643 1.789 1.011 0.296 -0.364 -0.977 -1.543 -2.063 -2.549 -3.002 -3.041 -3.043 -3.003 -2.911 -2.760 -2.545 -2.264 -1.925 -1.543 -1.137 -0.728 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.785 8.903 7.285 5.891 4.678 3.611 2.663 1.809 1.032 0.320 -0.339 -0.948 -1.509 -2.023 -2.495 -3.037 -3.100 -3.134 -3.136 -3.099 -3.019 -2.891 -2.711 -2.481 -2.205 -1.893 -1.559 -1.213 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.802 8.922 7.304 5.909 4.696 3.630 2.682 1.829 1.054 0.343 -0.314 -0.920 -1.478 -1.987 -2.450 -3.059 -3.139 -3.196 -3.227 -3.229 -3.198 -3.129 -3.020 -2.870 -2.679 -2.451 -2.193 -1.913 -1.618 -1.315 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.819 8.940 7.322 5.927 4.714 3.648 2.700 1.848 1.075 0.365 -0.289 -0.893 -1.449 -1.955 -2.411 -3.071 -3.163 -3.238 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-12.897 -12.667 -12.442 -12.222 celestite SrSO4 P-T:All Wt.(g/mol) = 183.680 V(cc/mol) = 46.250 D(g/cc) = 3.971 Ref: Shock07 2 1.000 21 1.000 4 -5.675 -5.677 -5.826 -6.055 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.675 -5.677 -5.826 -6.055 -6.339 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.674 -5.676 -5.825 -6.054 -6.338 -6.665 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 -36.175 -33.554 -31.415 -29.650 -28.186 -26.968 -25.956 -25.121 -24.439 -23.893 -23.468 -23.152 -22.932 -22.803 -22.765 -22.814 -22.868 -22.933 -23.010 -23.099 -23.202 -23.318 -23.451 -23.601 -23.772 -23.965 -24.184 -24.427 -24.693 -24.976 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -36.143 -33.527 -31.389 -29.625 -28.160 -26.941 -25.927 -25.089 -24.403 -23.853 -23.422 -23.097 -22.867 -22.724 -22.664 -22.710 -22.757 -22.816 -22.887 -22.969 -23.063 -23.170 -23.290 -23.424 -23.573 -23.740 -23.923 -24.125 -24.342 -24.573 -24.813 99999.999 99999.999 99999.999 99999.999 99999.999 -36.112 -33.499 -31.363 -29.600 -28.135 -26.914 -25.899 -25.057 -24.368 -23.813 -23.376 -23.044 -22.806 -22.651 -22.574 -22.610 -22.652 -22.704 -22.769 -22.844 -22.930 -23.028 -23.138 -23.261 -23.395 -23.543 -23.704 -23.878 -24.064 -24.260 -24.463 -24.672 -24.885 99999.999 99999.999 99999.999 -36.082 -33.473 -31.338 -29.575 -28.110 -26.888 -25.871 -25.027 -24.334 -23.774 -23.332 -22.994 -22.747 -22.583 -22.493 -22.513 -22.550 -22.597 -22.655 -22.724 -22.804 -22.894 -22.996 -23.108 -23.231 -23.365 -23.510 -23.665 -23.830 -24.002 -24.180 -24.363 -24.551 -24.734 99999.999 99999.999 -36.052 -33.446 -31.313 -29.550 -28.085 -26.862 -25.843 -24.997 -24.301 -23.737 -23.289 -22.945 -22.691 -22.518 -22.419 -22.421 -22.452 -22.494 -22.547 -22.610 -22.683 -22.766 -22.860 -22.964 -23.078 -23.201 -23.334 -23.475 -23.624 -23.780 -23.940 -24.105 -24.274 -24.441 -24.601 -24.752 -36.023 -33.421 -31.289 -29.526 -28.060 -26.837 -25.816 -24.967 -24.268 -23.700 -23.247 -22.897 -22.637 -22.457 -22.349 -22.331 -22.358 -22.395 -22.442 -22.500 -22.567 -22.644 -22.730 -22.827 -22.932 -23.047 -23.170 -23.301 -23.438 -23.581 -23.728 -23.879 -24.036 -24.191 -24.340 -24.483 -35.768 -33.188 -31.065 -29.305 -27.835 -26.602 -25.566 -24.697 -23.970 -23.367 -22.873 -22.475 -22.162 -21.923 -21.749 -21.577 -21.568 -21.568 -21.575 -21.591 -21.614 -21.645 -21.684 -21.729 -21.782 -21.842 -21.908 -21.980 -22.058 -22.141 -22.230 -22.324 -22.428 -22.534 -22.643 -22.753 -35.567 -32.992 -30.872 -29.112 -27.638 -26.397 -25.349 -24.463 -23.715 -23.087 -22.562 -22.129 -21.776 -21.493 -21.273 -20.995 -20.963 -20.938 -20.920 -20.909 -20.905 -20.907 -20.916 -20.931 -20.953 -20.980 -21.014 -21.053 -21.098 -21.147 -21.202 -21.265 -21.337 -21.413 -21.493 -21.578 -35.408 -32.827 -30.705 -28.941 -27.463 -26.215 -25.157 -24.258 -23.494 -22.844 -22.296 -21.835 -21.451 -21.135 -20.879 -20.521 -20.471 -20.428 -20.392 -20.362 -20.339 -20.321 -20.309 -20.303 -20.303 -20.308 -20.319 -20.335 -20.356 -20.382 -20.413 -20.451 -20.499 -20.552 -20.608 -20.669 -35.283 -32.687 -30.559 -28.790 -27.306 -26.052 -24.985 -24.075 -23.297 -22.631 -22.063 -21.580 -21.171 -20.828 -20.543 -20.122 -20.059 -20.002 -19.952 -19.907 -19.869 -19.836 -19.809 -19.787 -19.770 -19.759 -19.753 -19.751 -19.755 -19.763 -19.776 -19.796 -19.825 -19.859 -19.897 -19.939 -35.185 -32.568 -30.430 -28.655 -27.165 -25.904 -24.829 -23.910 -23.120 -22.441 -21.857 -21.355 -20.926 -20.560 -20.251 -19.779 -19.705 -19.637 -19.575 -19.519 -19.469 -19.424 -19.384 -19.350 -19.321 -19.296 -19.277 -19.262 -19.252 -19.246 -19.245 -19.251 -19.266 -19.285 -19.308 -19.335 -35.110 -32.465 -30.316 -28.534 -27.037 -25.769 -24.687 -23.759 -22.960 -22.269 -21.671 -21.154 -20.708 -20.324 -19.995 -19.479 -19.396 -19.319 -19.248 -19.182 -19.122 -19.067 -19.018 -18.973 -18.934 -18.899 -18.869 -18.843 -18.822 -18.805 -18.793 -18.787 -18.790 -18.798 -18.809 -18.825 -35.053 -32.376 -30.214 -28.424 -26.920 -25.645 -24.557 -23.621 -22.813 -22.112 -21.503 -20.973 -20.512 -20.112 -19.766 -19.214 -19.123 -19.038 -18.959 -18.886 -18.817 -18.754 -18.697 -18.644 -18.596 -18.552 -18.513 -18.479 -18.449 -18.423 -18.401 -18.386 -18.380 -18.378 -18.381 -18.386 99999.999 -32.298 -30.123 -28.324 -26.813 -25.531 -24.436 -23.493 -22.677 -21.968 -21.349 -20.808 -20.335 -19.921 -19.561 -18.977 -18.879 -18.788 -18.702 -18.622 -18.547 -18.477 -18.412 -18.352 -18.297 -18.246 -18.200 -18.158 -18.120 -18.087 -18.058 -18.035 -18.022 -18.012 -18.007 -18.005 chalcopyrite CuFeS2 P-T:All Wt.(g/mol) = 183.500 V(cc/mol) = 42.830 D(g/cc) = 4.284 Ref: Shock07 6 1.000 1 -0.500 2 1.000 11 1.000 16 -3.750 31 2.000 4 248.430 225.300 205.206 187.621 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 248.430 225.300 205.206 187.621 172.082 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 248.434 225.304 205.209 187.625 172.086 158.220 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 248.442 225.311 205.216 187.631 172.092 158.227 145.738 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 248.456 225.323 205.228 187.642 172.103 158.238 145.749 134.398 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 248.477 225.343 205.247 187.660 172.121 158.255 145.767 134.417 124.004 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 248.510 225.373 205.275 187.687 172.147 158.282 145.794 134.445 124.034 114.387 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 248.556 225.415 205.315 187.726 172.184 158.319 145.833 134.485 124.078 114.436 105.389 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 248.620 225.474 205.370 187.778 172.236 158.371 145.885 134.541 124.138 114.504 105.471 96.857 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 248.705 225.552 205.443 187.849 172.305 158.439 145.956 134.614 124.218 114.594 105.578 96.997 88.635 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 248.815 225.653 205.539 187.941 172.395 158.529 146.047 134.710 124.320 114.709 105.715 97.174 88.887 80.517 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 248.958 225.784 205.662 188.058 172.510 158.643 146.163 134.831 124.451 114.855 105.887 97.393 89.192 81.009 71.990 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 249.067 225.884 205.756 188.149 172.598 158.731 146.253 134.924 124.551 114.966 106.017 97.555 89.415 81.351 72.720 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 249.223 226.028 205.891 188.278 172.724 158.857 146.380 135.056 124.692 115.121 106.198 97.780 89.716 81.798 73.538 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 249.378 226.170 206.025 188.406 172.849 158.980 146.505 135.186 124.830 115.273 106.373 97.994 89.997 82.202 74.219 56.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 249.532 226.311 206.157 188.533 172.972 159.103 146.629 135.314 124.966 115.422 106.542 98.198 90.261 82.572 74.811 60.325 55.961 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 249.684 226.450 206.288 188.658 173.094 159.224 146.751 135.440 125.099 115.567 106.706 98.394 90.510 82.912 75.336 61.561 58.248 54.429 49.699 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 249.835 226.589 206.418 188.783 173.215 159.343 146.872 135.565 125.230 115.708 106.866 98.582 90.745 83.226 75.806 62.355 59.374 56.198 52.693 48.677 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 249.984 226.726 206.547 188.906 173.335 159.462 146.991 135.687 125.358 115.847 107.021 98.763 90.967 83.517 76.231 62.964 60.151 57.246 54.190 50.905 47.300 43.310 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 250.132 226.862 206.675 189.028 173.453 159.579 147.109 135.808 125.485 115.983 107.171 98.937 91.178 83.788 76.614 63.469 60.761 58.007 55.175 52.227 49.115 45.791 42.224 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 250.279 226.997 206.802 189.149 173.571 159.695 147.225 135.927 125.609 116.116 107.318 99.105 91.378 84.040 76.961 63.907 61.273 58.617 55.921 53.162 50.313 47.346 44.234 40.965 37.548 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 250.425 227.131 206.928 189.269 173.687 159.809 147.340 136.045 125.732 116.247 107.462 99.267 91.569 84.275 77.276 64.297 61.718 59.132 56.528 53.891 51.204 48.449 45.608 42.668 39.626 36.491 33.288 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 250.570 227.264 207.053 189.388 173.803 159.923 147.454 136.161 125.853 116.376 107.602 99.424 91.750 84.495 77.562 64.651 62.115 59.583 57.046 54.495 51.917 49.301 46.634 43.906 41.112 38.252 35.337 32.385 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 250.714 227.396 207.176 189.507 173.917 160.036 147.567 136.276 125.972 116.502 107.738 99.576 91.924 84.702 77.822 64.977 62.476 59.986 57.502 55.014 52.516 49.997 47.450 44.867 42.242 39.575 36.869 34.133 31.381 28.634 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 250.856 227.527 207.299 189.624 174.031 160.147 147.679 136.389 126.090 116.626 107.872 99.723 92.091 84.896 78.060 65.279 62.807 60.353 57.910 55.473 53.035 50.589 48.130 45.651 43.148 40.619 38.065 35.490 32.905 30.319 27.748 99999.999 99999.999 99999.999 99999.999 99999.999 250.998 227.657 207.421 189.740 174.143 160.258 147.789 136.502 126.206 116.748 108.003 99.867 92.251 85.079 78.279 65.563 63.116 60.691 58.283 55.886 53.496 51.107 48.715 46.314 43.901 41.475 39.035 36.583 34.125 31.668 29.223 26.798 24.403 99999.999 99999.999 99999.999 251.138 227.787 207.543 189.856 174.255 160.368 147.898 136.612 126.320 116.869 108.132 100.006 92.406 85.254 78.482 65.830 63.405 61.005 58.626 56.263 53.912 51.569 49.230 46.890 44.548 42.200 39.847 37.490 35.131 32.777 30.433 28.106 25.803 23.538 99999.999 99999.999 251.277 227.915 207.663 189.970 174.366 160.476 148.007 136.722 126.434 116.987 108.258 100.143 92.555 85.421 78.672 66.083 63.677 61.299 58.944 56.610 54.293 51.987 49.691 47.401 45.115 42.829 40.545 38.263 35.983 33.711 31.449 29.204 26.978 24.784 22.630 20.524 251.416 228.042 207.782 190.084 174.476 160.584 148.114 136.831 126.545 117.104 108.382 100.276 92.701 85.582 78.854 66.324 63.935 61.576 59.243 56.934 54.644 52.371 50.111 47.862 45.621 43.386 41.158 38.935 36.720 34.514 32.320 30.142 27.981 25.849 23.751 21.695 252.751 229.272 208.935 191.181 175.533 161.617 149.138 137.861 127.597 118.194 109.527 101.495 94.011 87.007 80.420 68.289 66.005 63.762 61.558 59.389 57.255 55.153 53.081 51.038 49.021 47.031 45.064 43.121 41.200 39.301 37.424 35.566 33.724 31.904 30.106 28.331 254.010 230.434 210.024 192.215 176.527 162.583 150.089 138.809 128.555 119.174 110.541 102.555 95.131 88.197 81.696 69.787 67.557 65.371 63.229 61.126 59.063 57.036 55.044 53.085 51.158 49.261 47.393 45.553 43.740 41.952 40.190 38.449 36.726 35.026 33.348 31.692 255.208 231.541 211.062 193.198 177.469 163.497 150.984 139.695 129.442 120.073 111.462 103.506 96.122 89.237 82.793 71.028 68.832 66.682 64.578 62.515 60.494 58.511 56.565 54.655 52.779 50.935 49.122 47.339 45.585 43.858 42.158 40.481 38.823 37.189 35.578 33.990 256.359 232.604 212.057 194.140 178.370 164.368 151.833 140.532 130.275 120.910 112.311 104.377 97.020 90.170 83.766 72.103 69.930 67.805 65.726 63.691 61.698 59.745 57.830 55.951 54.108 52.299 50.522 48.776 47.059 45.372 43.711 42.075 40.459 38.868 37.301 35.756 257.470 233.630 213.016 195.047 179.237 165.203 152.646 141.329 131.065 121.699 113.107 105.185 97.847 91.022 84.648 73.059 70.903 68.797 66.736 64.721 62.748 60.815 58.922 57.067 55.247 53.462 51.710 49.989 48.299 46.639 45.007 43.399 41.812 40.251 38.713 37.199 258.550 234.626 213.946 195.925 180.074 166.009 153.427 142.094 131.819 122.448 113.858 105.943 98.618 91.811 85.459 73.926 71.783 69.690 67.643 65.642 63.684 61.768 59.891 58.052 56.250 54.482 52.748 51.047 49.376 47.736 46.124 44.537 42.971 41.431 39.915 38.423 259.603 235.598 214.850 196.778 180.887 166.789 154.183 142.831 132.543 123.165 114.573 106.661 99.344 92.549 86.214 74.722 72.589 70.506 68.471 66.480 64.534 62.629 60.765 58.939 57.149 55.396 53.676 51.988 50.333 48.707 47.110 45.538 43.988 42.464 40.965 39.490 99999.999 236.548 215.733 197.609 181.677 167.547 154.916 143.544 133.242 123.855 115.258 107.346 100.033 93.246 86.922 75.462 73.337 71.262 69.234 67.253 65.315 63.420 61.565 59.748 57.969 56.226 54.516 52.840 51.195 49.581 47.995 46.436 44.898 43.386 41.899 40.436 chlorargyrite AgCl P-T:All Wt.(g/mol) = 143.320 V(cc/mol) = 25.727 D(g/cc) = 5.571 Ref: Shock07 2 1.000 18 1.000 3 -10.832 -9.745 -8.876 -8.167 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-3.946 -3.939 -3.934 -3.930 -3.928 -3.927 -3.928 -10.640 -9.526 -8.635 -7.901 -7.287 -6.768 -6.326 -5.947 -5.619 -5.336 -5.090 -4.876 -4.690 -4.528 -4.388 -4.163 -4.126 -4.091 -4.059 -4.028 -4.000 -3.974 -3.950 -3.928 -3.907 -3.889 -3.872 -3.857 -3.843 -3.832 -3.821 -3.813 -3.806 -3.800 -3.796 -3.793 99999.999 -9.532 -8.632 -7.893 -7.274 -6.751 -6.306 -5.923 -5.592 -5.305 -5.055 -4.837 -4.647 -4.480 -4.335 -4.099 -4.060 -4.023 -3.988 -3.955 -3.925 -3.896 -3.870 -3.845 -3.822 -3.801 -3.781 -3.764 -3.748 -3.733 -3.720 -3.709 -3.699 -3.691 -3.684 -3.678 cinnabar HgS P-T:All Wt.(g/mol) = 232.650 V(cc/mol) = 28.416 D(g/cc) = 8.187 Ref: Shock07 3 1.000 20 1.000 6 -1.000 1 -42.322 -38.967 -36.178 -33.827 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-17.128 -16.994 -16.864 -16.739 -16.619 -16.504 -16.392 -16.286 -16.183 -16.084 -15.990 99999.999 -37.553 -34.791 -32.457 -30.456 -28.723 -27.209 -25.874 -24.692 -23.637 -22.691 -21.840 -21.071 -20.375 -19.741 -18.639 -18.442 -18.252 -18.068 -17.891 -17.720 -17.555 -17.396 -17.242 -17.094 -16.951 -16.813 -16.680 -16.551 -16.428 -16.308 -16.194 -16.083 -15.977 -15.874 -15.776 cinnabar HgS P-T:All Wt.(g/mol) = 232.650 V(cc/mol) = 28.416 D(g/cc) = 8.187 Ref: Shock07 3 1.000 20 1.000 4 -2.000 31 109.777 99.350 90.261 82.287 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 109.777 99.350 90.261 82.287 75.223 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 109.803 99.375 90.284 82.309 75.245 68.927 63.224 58.025 53.243 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 109.821 99.392 90.300 82.324 75.260 68.942 63.238 58.041 53.260 48.813 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 109.847 99.415 90.323 82.346 75.281 68.963 63.260 58.063 53.284 48.840 44.653 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 109.883 99.448 90.354 82.375 75.310 68.992 63.289 58.094 53.317 48.877 44.697 40.688 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 109.931 99.492 90.395 82.415 75.348 69.030 63.328 58.135 53.361 48.926 44.755 40.764 36.845 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 109.993 99.550 90.449 82.467 75.399 69.081 63.379 58.188 53.417 48.989 44.830 40.859 36.980 33.021 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.073 99.623 90.519 82.533 75.464 69.145 63.444 58.255 53.489 49.069 44.923 40.976 37.142 33.281 28.954 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.134 99.680 90.572 82.585 75.514 69.194 63.494 58.307 53.544 49.130 44.994 41.064 37.261 33.463 29.335 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.222 99.761 90.649 82.658 75.585 69.265 63.566 58.381 53.622 49.215 45.092 41.185 37.422 33.700 29.766 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.309 99.842 90.724 82.730 75.655 69.334 63.636 58.453 53.699 49.299 45.187 41.301 37.573 33.915 30.125 21.636 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.395 99.921 90.799 82.802 75.725 69.403 63.705 58.524 53.774 49.380 45.280 41.412 37.715 34.112 30.438 23.608 21.479 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.481 100.000 90.874 82.873 75.794 69.471 63.773 58.594 53.847 49.460 45.369 41.518 37.849 34.294 30.717 24.242 22.649 20.794 18.461 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.566 100.079 90.947 82.943 75.862 69.538 63.841 58.664 53.920 49.538 45.456 41.620 37.975 34.462 30.967 24.651 23.228 21.702 20.003 18.036 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.650 100.157 91.021 83.013 75.930 69.605 63.908 58.732 53.991 49.614 45.541 41.718 38.095 34.618 31.193 24.968 23.630 22.241 20.773 19.184 17.425 15.460 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.734 100.234 91.093 83.082 75.997 69.671 63.974 58.799 54.062 49.689 45.624 41.813 38.209 34.763 31.398 25.232 23.947 22.635 21.282 19.866 18.362 16.744 14.996 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.817 100.310 91.165 83.151 76.063 69.737 64.039 58.866 54.131 49.763 45.704 41.904 38.317 34.898 31.583 25.461 24.214 22.952 21.668 20.349 18.980 17.548 16.037 14.441 12.764 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.899 100.387 91.237 83.219 76.129 69.801 64.104 58.932 54.199 49.835 45.783 41.992 38.421 35.025 31.751 25.666 24.447 23.221 21.984 20.727 19.441 18.118 16.748 15.323 13.842 12.310 10.738 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.981 100.462 91.308 83.287 76.195 69.866 64.168 58.997 54.266 49.906 45.860 42.078 38.519 35.143 31.904 25.852 24.655 23.457 22.254 21.041 19.811 18.559 17.279 15.964 14.612 13.224 11.803 10.360 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 111.062 100.537 91.378 83.354 76.260 69.929 64.232 59.061 54.333 49.976 45.935 42.161 38.613 35.254 32.044 26.024 24.845 23.669 22.492 21.312 20.123 18.921 17.702 16.462 15.198 13.910 12.598 11.269 9.928 8.587 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 111.143 100.612 91.448 83.421 76.324 69.992 64.294 59.125 54.398 50.045 46.009 42.242 38.704 35.359 32.171 26.184 25.020 23.862 22.707 21.552 20.394 19.230 18.056 16.869 15.668 14.451 13.219 11.974 10.720 9.464 8.213 99999.999 99999.999 99999.999 99999.999 99999.999 111.223 100.686 91.518 83.487 76.388 70.055 64.357 59.188 54.463 50.113 46.081 42.320 38.791 35.458 32.289 26.334 25.183 24.040 22.902 21.768 20.635 19.500 18.360 17.214 16.060 14.896 13.722 12.541 11.353 10.165 8.980 7.805 6.645 99999.999 99999.999 99999.999 111.302 100.759 91.587 83.553 76.451 70.117 64.418 59.250 54.527 50.179 46.152 42.396 38.875 35.553 32.398 26.476 25.336 24.205 23.083 21.966 20.853 19.741 18.629 17.514 16.396 15.272 14.144 13.011 11.876 10.741 9.609 8.485 7.374 6.281 99999.999 99999.999 111.381 100.832 91.655 83.618 76.514 70.179 64.479 59.312 54.590 50.245 46.221 42.471 38.957 35.643 32.500 26.611 25.480 24.361 23.251 22.149 21.053 19.961 18.871 17.781 16.691 15.600 14.507 13.413 12.319 11.226 10.137 9.055 7.984 6.929 5.892 4.878 111.460 100.905 91.724 83.683 76.577 70.240 64.540 59.373 54.652 50.310 46.290 42.545 39.036 35.731 32.598 26.739 25.617 24.508 23.409 22.320 21.238 20.162 19.091 18.022 16.956 15.891 14.826 13.763 12.702 11.643 10.589 9.542 8.506 7.482 6.475 5.487 112.219 101.608 92.383 84.310 77.180 70.827 65.120 59.953 55.242 50.918 46.924 43.216 39.754 36.506 33.446 27.791 26.723 25.674 24.641 23.624 22.622 21.634 20.659 19.696 18.745 17.805 16.875 15.956 15.046 14.145 13.254 12.372 11.500 10.637 9.784 8.941 112.939 102.275 93.009 84.903 77.749 71.379 65.661 60.490 55.782 51.467 47.490 43.804 40.371 37.160 34.142 28.601 27.560 26.540 25.539 24.556 23.590 22.640 21.706 20.787 19.882 18.990 18.112 17.245 16.390 15.547 14.715 13.893 13.081 12.280 11.488 10.707 113.628 102.914 93.608 85.471 78.291 71.903 66.173 60.995 56.285 51.974 48.006 44.335 40.921 37.734 34.745 29.276 28.253 27.251 26.269 25.307 24.362 23.435 22.525 21.631 20.752 19.887 19.037 18.199 17.375 16.563 15.762 14.974 14.196 13.428 12.671 11.924 114.291 103.529 94.184 86.016 78.812 72.405 66.660 61.473 56.759 52.449 48.486 44.823 41.423 38.252 35.283 29.865 28.854 27.864 26.895 25.946 25.016 24.105 23.210 22.332 21.470 20.623 19.790 18.972 18.167 17.375 16.595 15.827 15.071 14.325 13.591 12.866 114.935 104.126 94.742 86.543 79.315 72.888 67.129 61.931 57.211 52.898 48.936 45.279 41.887 38.728 35.774 30.392 29.389 28.408 27.449 26.510 25.590 24.689 23.805 22.939 22.088 21.254 20.434 19.629 18.837 18.059 17.293 16.540 15.798 15.068 14.349 13.640 115.562 104.707 95.285 87.054 79.802 73.355 67.581 62.372 57.644 53.327 49.364 45.709 42.322 39.170 36.227 30.871 29.875 28.901 27.949 27.017 26.104 25.211 24.335 23.477 22.636 21.810 21.000 20.204 19.422 18.654 17.899 17.156 16.425 15.706 14.998 14.300 116.176 105.275 95.814 87.553 80.276 73.809 68.019 62.798 58.061 53.738 49.773 46.117 42.733 39.587 36.650 31.314 30.323 29.354 28.407 27.480 26.573 25.686 24.816 23.965 23.129 22.311 21.507 20.718 19.944 19.183 18.436 17.701 16.978 16.267 15.567 14.878 99999.999 105.832 96.332 88.040 80.738 74.252 68.446 63.212 58.465 54.135 50.166 46.509 43.125 39.981 37.049 31.728 30.740 29.775 28.831 27.909 27.006 26.123 25.258 24.411 23.581 22.767 21.969 21.186 20.417 19.662 18.920 18.191 17.474 16.769 16.075 15.392 metacinnabar HgS P-T:All Wt.(g/mol) = 232.650 V(cc/mol) = 30.169 D(g/cc) = 7.712 Ref: Shock07 3 1.000 20 1.000 6 -1.000 1 -41.890 -38.598 -35.863 -33.558 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.890 -38.598 -35.863 -33.558 -31.597 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-28.453 -27.209 -26.141 -25.231 -24.475 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.854 -38.567 -35.835 -33.531 -31.570 -29.889 -28.443 -27.198 -26.128 -25.217 -24.457 -23.853 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.838 -38.554 -35.822 -33.519 -31.558 -29.877 -28.430 -27.184 -26.112 -25.197 -24.433 -23.820 -23.374 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.818 -38.536 -35.806 -33.503 -31.542 -29.861 -28.413 -27.165 -26.091 -25.173 -24.402 -23.779 -23.315 -23.042 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.792 -38.513 -35.785 -33.483 -31.522 -29.840 -28.391 -27.141 -26.064 -25.142 -24.363 -23.728 -23.243 -22.936 -22.907 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.772 -38.496 -35.769 -33.468 -31.507 -29.824 -28.375 -27.123 -26.044 -25.118 -24.334 -23.690 -23.190 -22.859 -22.797 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.743 -38.472 -35.746 -33.446 -31.485 -29.802 -28.351 -27.098 -26.015 -25.085 -24.294 -23.638 -23.118 -22.754 -22.635 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.716 -38.447 -35.724 -33.424 -31.463 -29.780 -28.328 -27.073 -25.987 -25.053 -24.255 -23.588 -23.051 -22.656 -22.481 -21.055 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.688 -38.424 -35.702 -33.403 -31.442 -29.758 -28.305 -27.048 -25.960 -25.022 -24.218 -23.541 -22.987 -22.566 -22.339 -21.227 -21.043 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.662 -38.400 -35.680 -33.382 -31.421 -29.737 -28.283 -27.024 -25.934 -24.991 -24.182 -23.496 -22.927 -22.482 -22.208 -21.219 -21.083 -20.957 -20.933 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.636 -38.377 -35.658 -33.361 -31.401 -29.716 -28.261 -27.000 -25.908 -24.962 -24.147 -23.453 -22.871 -22.405 -22.089 -21.170 -21.051 -20.938 -20.843 -20.812 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.610 -38.354 -35.637 -33.340 -31.380 -29.695 -28.239 -26.977 -25.882 -24.933 -24.114 -23.412 -22.819 -22.333 -21.982 -21.110 -20.996 -20.890 -20.794 -20.719 -20.689 -20.743 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.584 -38.332 -35.616 -33.320 -31.360 -29.675 -28.218 -26.954 -25.857 -24.905 -24.081 -23.372 -22.769 -22.267 -21.884 -21.047 -20.934 -20.829 -20.734 -20.651 -20.589 -20.562 -20.589 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.560 -38.310 -35.595 -33.300 -31.340 -29.654 -28.197 -26.932 -25.833 -24.878 -24.050 -23.335 -22.722 -22.207 -21.797 -20.985 -20.870 -20.765 -20.669 -20.583 -20.510 -20.457 -20.431 -20.443 -20.502 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.535 -38.288 -35.575 -33.280 -31.321 -29.635 -28.176 -26.910 -25.808 -24.851 -24.019 -23.299 -22.679 -22.151 -21.719 -20.924 -20.807 -20.700 -20.602 -20.513 -20.436 -20.371 -20.324 -20.298 -20.300 -20.334 -20.399 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.511 -38.266 -35.554 -33.261 -31.301 -29.615 -28.155 -26.888 -25.785 -24.825 -23.989 -23.264 -22.637 -22.099 -21.650 -20.865 -20.746 -20.636 -20.536 -20.445 -20.363 -20.292 -20.234 -20.190 -20.165 -20.159 -20.175 -20.213 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.488 -38.245 -35.534 -33.241 -31.282 -29.595 -28.135 -26.866 -25.762 -24.799 -23.961 -23.231 -22.598 -22.052 -21.588 -20.808 -20.687 -20.574 -20.471 -20.377 -20.292 -20.217 -20.152 -20.098 -20.057 -20.030 -20.019 -20.022 -20.040 -20.070 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -41.464 -38.224 -35.515 -33.222 -31.263 -29.576 -28.115 -26.845 -25.739 -24.774 -23.932 -23.199 -22.561 -22.007 -21.532 -20.753 -20.629 -20.514 -20.408 -20.312 -20.224 -20.145 -20.075 -20.014 -19.964 -19.925 -19.896 -19.880 -19.873 -19.877 -19.888 99999.999 99999.999 99999.999 99999.999 99999.999 -41.441 -38.203 -35.495 -33.203 -31.244 -29.557 -28.096 -26.825 -25.717 -24.749 -23.905 -23.168 -22.526 -21.966 -21.483 -20.700 -20.574 -20.456 -20.348 -20.248 -20.157 -20.075 -20.001 -19.936 -19.879 -19.832 -19.793 -19.763 -19.742 -19.728 -19.720 -19.717 -19.715 99999.999 99999.999 99999.999 -41.419 -38.183 -35.476 -33.185 -31.226 -29.539 -28.076 -26.804 -25.695 -24.725 -23.878 -23.138 -22.492 -21.928 -21.438 -20.649 -20.520 -20.400 -20.289 -20.187 -20.093 -20.007 -19.930 -19.861 -19.799 -19.746 -19.700 -19.662 -19.631 -19.605 -19.586 -19.569 -19.555 -19.541 99999.999 99999.999 -41.397 -38.163 -35.457 -33.166 -31.208 -29.520 -28.057 -26.784 -25.673 -24.702 -23.852 -23.109 -22.459 -21.892 -21.397 -20.599 -20.468 -20.346 -20.232 -20.127 -20.031 -19.942 -19.862 -19.789 -19.724 -19.666 -19.615 -19.570 -19.532 -19.499 -19.471 -19.446 -19.423 -19.401 -19.377 -19.351 -41.375 -38.143 -35.438 -33.148 -31.189 -29.502 -28.038 -26.764 -25.652 -24.678 -23.827 -23.081 -22.428 -21.857 -21.358 -20.551 -20.418 -20.293 -20.177 -20.070 -19.971 -19.879 -19.796 -19.720 -19.651 -19.590 -19.534 -19.485 -19.442 -19.404 -19.369 -19.338 -19.309 -19.281 -19.253 -19.222 -41.175 -37.956 -35.260 -32.974 -31.018 -29.329 -27.861 -26.579 -25.454 -24.465 -23.595 -22.826 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-17.404 -17.309 -17.218 -17.132 -17.050 -16.972 -16.898 -40.598 -37.370 -34.682 -32.405 -30.452 -28.762 -27.287 -25.990 -24.843 -23.824 -22.914 -22.100 -21.369 -20.711 -20.117 -19.095 -18.914 -18.740 -18.572 -18.411 -18.257 -18.108 -17.965 -17.828 -17.696 -17.570 -17.449 -17.333 -17.221 -17.115 -17.012 -16.915 -16.821 -16.732 -16.647 -16.567 -40.490 -37.250 -34.560 -32.283 -30.331 -28.641 -27.165 -25.866 -24.717 -23.694 -22.780 -21.959 -21.221 -20.555 -19.952 -18.911 -18.725 -18.547 -18.375 -18.210 -18.051 -17.897 -17.750 -17.608 -17.471 -17.340 -17.214 -17.092 -16.976 -16.864 -16.756 -16.653 -16.554 -16.459 -16.369 -16.282 -40.391 -37.137 -34.445 -32.168 -30.216 -28.525 -27.049 -25.749 -24.598 -23.572 -22.654 -21.829 -21.085 -20.412 -19.802 -18.744 -18.555 -18.373 -18.198 -18.029 -17.866 -17.709 -17.558 -17.412 -17.271 -17.136 -17.005 -16.880 -16.759 -16.643 -16.531 -16.423 -16.320 -16.221 -16.126 -16.034 99999.999 -37.030 -34.335 -32.057 -30.105 -28.415 -26.938 -25.637 -24.484 -23.456 -22.535 -21.707 -20.958 -20.280 -19.664 -18.592 -18.400 -18.215 -18.037 -17.865 -17.699 -17.539 -17.384 -17.235 -17.091 -16.952 -16.819 -16.690 -16.565 -16.445 -16.330 -16.219 -16.112 -16.009 -15.910 -15.815 metacinnabar HgS P-T:All Wt.(g/mol) = 232.650 V(cc/mol) = 30.169 D(g/cc) = 7.712 Ref: Shock07 3 1.000 20 1.000 4 -2.000 31 110.209 99.719 90.576 82.555 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.209 99.719 90.576 82.555 75.452 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.212 99.721 90.578 82.557 75.454 69.101 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.216 99.725 90.582 82.561 75.457 69.105 63.370 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.224 99.733 90.589 82.567 75.464 69.111 63.376 58.150 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.236 99.744 90.600 82.578 75.474 69.121 63.386 58.161 53.354 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.255 99.761 90.616 82.593 75.489 69.136 63.402 58.177 53.371 48.902 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.281 99.785 90.639 82.615 75.510 69.157 63.423 58.199 53.395 48.929 44.722 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.317 99.819 90.670 82.645 75.540 69.187 63.453 58.230 53.428 48.967 44.766 40.739 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.366 99.864 90.713 82.686 75.579 69.226 63.493 58.272 53.473 49.016 44.825 40.815 36.880 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.429 99.922 90.768 82.739 75.630 69.277 63.545 58.325 53.530 49.080 44.900 40.911 37.015 33.041 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.511 99.997 90.838 82.806 75.696 69.342 63.611 58.394 53.603 49.161 44.994 41.029 37.178 33.302 28.961 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.573 100.055 90.893 82.858 75.747 69.392 63.661 58.446 53.659 49.222 45.065 41.118 37.298 33.484 29.342 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.663 100.138 90.970 82.933 75.819 69.464 63.733 58.521 53.738 49.308 45.165 41.240 37.460 33.722 29.773 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.751 100.220 91.048 83.006 75.891 69.535 63.805 58.594 53.815 49.393 45.261 41.356 37.612 33.938 30.134 21.619 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.839 100.301 91.124 83.079 75.962 69.605 63.875 58.666 53.891 49.475 45.354 41.468 37.754 34.136 30.448 23.592 21.459 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 110.927 100.381 91.200 83.152 76.032 69.674 63.945 58.738 53.966 49.556 45.445 41.575 37.889 34.318 30.727 24.226 22.629 20.770 18.432 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 111.013 100.461 91.275 83.224 76.101 69.742 64.013 58.808 54.039 49.635 45.533 41.678 38.016 34.487 30.978 24.637 23.209 21.678 19.975 18.003 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 111.099 100.541 91.349 83.295 76.170 69.810 64.081 58.877 54.111 49.712 45.618 41.777 38.137 34.644 31.205 24.954 23.611 22.218 20.746 19.152 17.389 15.420 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 111.184 100.619 91.423 83.365 76.239 69.877 64.148 58.946 54.183 49.788 45.702 41.872 38.251 34.790 31.410 25.218 23.929 22.613 21.255 19.835 18.326 16.705 14.953 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 111.269 100.698 91.497 83.435 76.306 69.944 64.215 59.013 54.253 49.862 45.783 41.964 38.360 34.926 31.596 25.448 24.196 22.931 21.642 20.318 18.946 17.509 15.995 14.395 12.714 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 111.353 100.775 91.570 83.505 76.374 70.010 64.281 59.080 54.322 49.936 45.863 42.053 38.464 35.053 31.765 25.654 24.430 23.200 21.958 20.697 19.407 18.080 16.706 15.278 13.793 12.257 10.681 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 111.437 100.852 91.642 83.574 76.440 70.075 64.346 59.146 54.390 50.008 45.940 42.140 38.564 35.172 31.919 25.841 24.639 23.437 22.229 21.012 19.778 18.522 17.238 15.919 14.564 13.171 11.747 10.301 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 111.520 100.929 91.714 83.642 76.506 70.140 64.410 59.212 54.458 50.078 46.016 42.224 38.659 35.284 32.059 26.014 24.830 23.649 22.468 21.284 20.090 18.884 17.662 16.418 15.150 13.858 12.543 11.210 9.866 8.521 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 111.602 101.005 91.786 83.710 76.572 70.204 64.474 59.276 54.524 50.148 46.091 42.305 38.750 35.390 32.187 26.174 25.005 23.843 22.683 21.524 20.362 19.194 18.016 16.825 15.620 14.400 13.164 11.915 10.658 9.399 8.145 99999.999 99999.999 99999.999 99999.999 99999.999 111.684 101.080 91.857 83.778 76.637 70.268 64.538 59.340 54.590 50.217 46.164 42.384 38.838 35.490 32.305 26.325 25.169 24.021 22.880 21.741 20.604 19.464 18.321 17.171 16.012 14.845 13.668 12.483 11.292 10.100 8.912 7.734 6.571 99999.999 99999.999 99999.999 111.765 101.156 91.927 83.845 76.702 70.331 64.600 59.403 54.655 50.284 46.236 42.462 38.923 35.585 32.415 26.468 25.323 24.188 23.061 21.940 20.822 19.707 18.590 17.472 16.349 15.222 14.090 12.954 11.815 10.677 9.541 8.414 7.300 6.204 99999.999 99999.999 111.846 101.230 91.997 83.912 76.766 70.394 64.663 59.466 54.719 50.351 46.306 42.537 39.005 35.676 32.519 26.603 25.468 24.344 23.230 22.123 21.023 19.927 18.832 17.739 16.646 15.551 14.454 13.356 12.258 11.162 10.070 8.985 7.911 6.853 5.813 4.796 111.926 101.304 92.067 83.978 76.830 70.456 64.724 59.528 54.782 50.417 46.375 42.611 39.086 35.764 32.617 26.732 25.605 24.491 23.388 22.295 21.209 20.129 19.053 17.981 16.910 15.842 14.774 13.707 12.642 11.580 10.523 9.473 8.433 7.406 6.396 5.406 112.702 102.023 92.741 84.618 77.445 71.055 65.315 60.119 55.381 51.034 47.019 43.291 39.811 36.548 33.472 27.791 26.718 25.664 24.626 23.605 22.599 21.606 20.627 19.661 18.706 17.762 16.829 15.905 14.992 14.088 13.193 12.308 11.433 10.567 9.711 8.865 113.439 102.705 93.381 85.225 78.027 71.618 65.867 60.666 55.931 51.592 47.593 43.888 40.437 37.209 34.176 28.607 27.562 26.537 25.531 24.543 23.573 22.619 21.681 20.758 19.849 18.953 18.071 17.201 16.342 15.495 14.660 13.834 13.020 12.215 11.421 10.636 114.144 103.359 93.994 85.805 78.581 72.154 66.389 61.181 56.444 52.109 48.118 44.427 40.995 37.790 34.786 29.290 28.261 27.255 26.268 25.301 24.352 23.421 22.506 21.608 20.724 19.856 19.002 18.161 17.333 16.517 15.713 14.921 14.140 13.369 12.609 11.859 114.824 103.990 94.584 86.363 79.114 72.667 66.888 61.670 56.928 52.592 48.607 44.924 41.504 38.316 35.332 29.885 28.869 27.874 26.901 25.947 25.012 24.096 23.197 22.315 21.449 20.598 19.761 18.939 18.130 17.335 16.551 15.780 15.020 14.271 13.534 12.806 115.484 104.602 95.156 86.903 79.629 73.162 67.367 62.138 57.389 53.051 49.066 45.388 41.976 38.800 35.829 30.418 29.411 28.425 27.461 26.517 25.592 24.686 23.798 22.927 22.073 21.234 20.411 19.601 18.806 18.024 17.255 16.498 15.753 15.020 14.297 13.585 116.129 105.198 95.713 87.428 80.128 73.641 67.830 62.589 57.832 53.488 49.502 45.826 42.419 39.250 36.290 30.905 29.903 28.924 27.967 27.030 26.113 25.215 24.335 23.472 22.626 21.797 20.982 20.182 19.397 18.625 17.866 17.120 16.385 15.663 14.951 14.250 116.759 105.782 96.256 87.940 80.615 74.106 68.279 63.025 58.259 53.909 49.920 46.243 42.839 39.674 36.720 31.355 30.358 29.384 28.431 27.500 26.588 25.696 24.822 23.966 23.126 22.303 21.495 20.703 19.924 19.160 18.408 17.670 16.943 16.229 15.526 14.833 99999.999 106.354 96.789 88.440 81.089 74.560 68.716 63.449 58.672 54.316 50.321 46.642 43.238 40.076 37.127 31.775 30.782 29.811 28.862 27.935 27.028 26.140 25.270 24.419 23.584 22.766 21.963 21.176 20.403 19.644 18.899 18.166 17.445 16.737 16.039 15.353 cooperite PtS P-T:All Wt.(g/mol) = 227.150 V(cc/mol) = 22.150 D(g/cc) = 10.255 Ref: Shock07 3 -1.000 1 1.000 40 1.000 6 -66.084 -60.884 -56.546 -52.877 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -66.084 -60.884 -56.546 -52.877 -49.742 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-60.609 -56.287 -52.622 -49.481 -46.767 -44.406 -42.343 -40.533 -38.941 -37.539 -36.300 -35.204 -34.233 -33.377 -31.850 -31.584 -31.325 -31.074 -30.828 -30.587 -30.349 -30.114 -29.883 -29.657 -29.437 -29.226 -29.027 -28.839 -28.663 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -65.752 -60.593 -56.273 -52.607 -49.466 -46.751 -44.389 -42.324 -40.512 -38.917 -37.511 -36.268 -35.166 -34.188 -33.320 -31.806 -31.540 -31.284 -31.035 -30.794 -30.559 -30.329 -30.103 -29.881 -29.663 -29.450 -29.243 -29.042 -28.849 -28.663 -28.483 99999.999 99999.999 99999.999 99999.999 99999.999 -65.736 -60.578 -56.258 -52.593 -49.451 -46.735 -44.372 -42.306 -40.491 -38.894 -37.484 -36.237 -35.131 -34.146 -33.269 -31.761 -31.496 -31.240 -30.993 -30.755 -30.523 -30.298 -30.078 -29.863 -29.653 -29.447 -29.245 -29.048 -28.855 -28.667 -28.483 -28.302 -28.122 99999.999 99999.999 99999.999 -65.719 -60.563 -56.243 -52.579 -49.436 -46.720 -44.356 -42.287 -40.471 -38.871 -37.459 -36.208 -35.097 -34.108 -33.225 -31.716 -31.451 -31.196 -30.950 -30.713 -30.483 -30.261 -30.046 -29.836 -29.631 -29.430 -29.234 -29.041 -28.852 -28.667 -28.484 -28.303 -28.122 -27.940 99999.999 99999.999 -65.703 -60.548 -56.229 -52.564 -49.422 -46.705 -44.340 -42.270 -40.451 -38.849 -37.433 -36.179 -35.065 -34.072 -33.184 -31.672 -31.406 -31.151 -30.905 -30.669 -30.441 -30.221 -30.008 -29.801 -29.600 -29.404 -29.212 -29.024 -28.839 -28.658 -28.478 -28.300 -28.122 -27.943 -27.762 -27.577 -65.687 -60.534 -56.215 -52.551 -49.408 -46.690 -44.324 -42.252 -40.432 -38.827 -37.409 -36.151 -35.034 -34.037 -33.146 -31.629 -31.362 -31.106 -30.860 -30.624 -30.397 -30.178 -29.966 -29.761 -29.563 -29.370 -29.182 -28.998 -28.818 -28.640 -28.465 -28.291 -28.117 -27.943 -27.767 -27.588 -65.549 -60.403 -56.087 -52.422 -49.277 -46.553 -44.177 -42.093 -40.256 -38.631 -37.189 -35.905 -34.758 -33.732 -32.810 -31.235 -30.957 -30.691 -30.436 -30.191 -29.956 -29.731 -29.516 -29.309 -29.111 -28.920 -28.738 -28.562 -28.393 -28.231 -28.074 -27.923 -27.776 -27.634 -27.496 -27.361 -65.440 -60.292 -55.976 -52.310 -49.161 -46.433 -44.050 -41.956 -40.106 -38.466 -37.005 -35.701 -34.532 -33.482 -32.537 -30.911 -30.623 -30.346 -30.080 -29.825 -29.580 -29.344 -29.118 -28.901 -28.692 -28.492 -28.300 -28.116 -27.939 -27.769 -27.607 -27.451 -27.301 -27.157 -27.020 -26.887 -65.354 -60.198 -55.880 -52.211 -49.059 -46.326 -43.937 -41.835 -39.976 -38.323 -36.848 -35.527 -34.341 -33.272 -32.307 -30.640 -30.343 -30.058 -29.783 -29.519 -29.264 -29.020 -28.784 -28.557 -28.339 -28.130 -27.928 -27.734 -27.548 -27.369 -27.197 -27.033 -26.874 -26.722 -26.577 -26.437 -65.286 -60.118 -55.795 -52.122 -48.967 -46.230 -43.836 -41.727 -39.860 -38.197 -36.710 -35.377 -34.176 -33.092 -32.110 -30.408 -30.105 -29.812 -29.530 -29.258 -28.996 -28.744 -28.501 -28.266 -28.040 -27.822 -27.613 -27.410 -27.216 -27.029 -26.848 -26.675 -26.508 -26.348 -26.194 -26.046 -65.233 -60.050 -55.719 -52.043 -48.884 -46.142 -43.744 -41.630 -39.756 -38.085 -36.589 -35.244 -34.031 -32.934 -31.938 -30.207 -29.898 -29.599 -29.311 -29.033 -28.765 -28.506 -28.256 -28.015 -27.782 -27.558 -27.341 -27.132 -26.931 -26.737 -26.549 -26.369 -26.195 -26.027 -25.866 -25.711 -65.192 -59.990 -55.652 -51.971 -48.808 -46.063 -43.660 -41.541 -39.661 -37.983 -36.479 -35.125 -33.902 -32.794 -31.787 -30.031 -29.716 -29.413 -29.119 -28.836 -28.562 -28.298 -28.043 -27.796 -27.558 -27.328 -27.106 -26.891 -26.683 -26.483 -26.290 -26.103 -25.923 -25.749 -25.582 -25.420 -65.160 -59.937 -55.592 -51.906 -48.738 -45.989 -43.582 -41.459 -39.574 -37.890 -36.379 -35.018 -33.786 -32.669 -31.651 -29.875 -29.556 -29.247 -28.949 -28.662 -28.384 -28.115 -27.855 -27.603 -27.360 -27.125 -26.898 -26.679 -26.466 -26.261 -26.063 -25.871 -25.686 -25.507 -25.334 -25.168 99999.999 -59.891 -55.537 -51.846 -48.674 -45.921 -43.510 -41.383 -39.493 -37.805 -36.288 -34.920 -33.681 -32.556 -31.530 -29.735 -29.412 -29.100 -28.798 -28.506 -28.224 -27.951 -27.687 -27.432 -27.185 -26.946 -26.715 -26.491 -26.274 -26.065 -25.862 -25.666 -25.477 -25.294 -25.117 -24.946 cooperite PtS P-T:All Wt.(g/mol) = 227.150 V(cc/mol) = 22.150 D(g/cc) = 10.255 Ref: Shock07 3 -2.000 31 1.000 40 1.000 4 86.014 77.433 69.893 63.236 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.014 77.433 69.893 63.236 57.307 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.017 77.435 69.895 63.238 57.309 51.976 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.021 77.439 69.899 63.242 57.312 51.980 47.137 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.028 77.446 69.905 63.248 57.318 51.986 47.143 42.702 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.040 77.457 69.915 63.258 57.328 51.995 47.153 42.713 38.601 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.057 77.473 69.931 63.272 57.342 52.010 47.168 42.728 38.618 34.768 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.082 77.496 69.952 63.293 57.363 52.030 47.189 42.751 38.642 34.795 31.138 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.116 77.527 69.982 63.322 57.391 52.058 47.218 42.781 38.675 34.832 31.183 27.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.162 77.570 70.022 63.360 57.429 52.096 47.256 42.822 38.719 34.882 31.243 27.726 24.236 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.221 77.624 70.074 63.410 57.478 52.145 47.306 42.874 38.776 34.946 31.319 27.824 24.373 20.816 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.297 77.695 70.140 63.474 57.540 52.208 47.370 42.941 38.848 35.026 31.414 27.945 24.539 21.073 17.172 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.356 77.749 70.192 63.524 57.589 52.256 47.419 42.992 38.903 35.088 31.486 28.035 24.662 21.255 17.507 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.440 77.827 70.265 63.594 57.657 52.324 47.489 43.065 38.981 35.174 31.586 28.159 24.828 21.497 17.919 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.523 77.903 70.337 63.664 57.725 52.392 47.558 43.137 39.057 35.258 31.683 28.278 24.984 21.718 18.279 12.076 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.605 77.979 70.409 63.732 57.792 52.459 47.626 43.207 39.132 35.340 31.777 28.391 25.130 21.922 18.600 13.081 11.534 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.686 78.055 70.480 63.801 57.859 52.525 47.693 43.276 39.205 35.420 31.868 28.500 25.269 22.111 18.889 13.481 12.202 10.776 9.006 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.767 78.129 70.551 63.868 57.925 52.590 47.759 43.345 39.277 35.498 31.956 28.605 25.399 22.285 19.150 13.783 12.590 11.343 9.992 8.445 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.847 78.203 70.620 63.935 57.990 52.655 47.824 43.412 39.348 35.575 32.042 28.705 25.523 22.447 19.386 14.036 12.891 11.721 10.505 9.211 7.793 6.200 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 86.926 78.277 70.690 64.002 58.055 52.719 47.889 43.478 39.418 35.650 32.125 28.801 25.640 22.598 19.600 14.258 13.146 12.021 10.873 9.688 8.444 7.115 5.678 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 87.005 78.350 70.758 64.067 58.119 52.782 47.953 43.544 39.487 35.723 32.206 28.894 25.751 22.738 19.793 14.458 13.371 12.277 11.172 10.047 8.892 7.693 6.435 5.107 3.706 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 87.083 78.422 70.826 64.133 58.182 52.845 48.016 43.609 39.554 35.796 32.286 28.984 25.857 22.868 19.968 14.642 13.573 12.504 11.430 10.345 9.243 8.118 6.960 5.762 4.518 3.229 1.902 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 87.161 78.494 70.894 64.197 58.245 52.907 48.078 43.672 39.621 35.867 32.363 29.071 25.957 22.989 20.127 14.812 13.760 12.709 11.658 10.602 9.538 8.461 7.365 6.246 5.100 3.925 2.724 1.502 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 87.237 78.565 70.961 64.261 58.307 52.969 48.140 43.735 39.686 35.936 32.438 29.155 26.053 23.103 20.270 14.972 13.933 12.898 11.866 10.832 9.796 8.753 7.699 6.633 5.551 4.452 3.335 2.205 1.067 -0.071 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 87.314 78.635 71.028 64.325 58.369 53.030 48.201 43.798 39.751 36.005 32.512 29.236 26.145 23.209 20.400 15.122 14.094 13.073 12.056 11.042 10.027 9.010 7.988 6.959 5.921 4.874 3.818 2.753 1.683 0.613 -0.450 99999.999 99999.999 99999.999 99999.999 99999.999 87.389 78.706 71.094 64.388 58.431 53.090 48.261 43.859 39.815 36.072 32.585 29.315 26.233 23.310 20.519 15.264 14.247 13.237 12.234 11.234 10.237 9.241 8.243 7.243 6.239 5.230 4.216 3.198 2.179 1.161 0.149 -0.851 -1.835 99999.999 99999.999 99999.999 87.465 78.775 71.159 64.451 58.491 53.150 48.321 43.920 39.878 36.138 32.656 29.392 26.318 23.405 20.629 15.400 14.392 13.392 12.400 11.414 10.432 9.452 8.474 7.497 6.518 5.538 4.557 3.575 2.594 1.616 0.643 -0.319 -1.267 -2.195 99999.999 99999.999 87.539 78.844 71.225 64.513 58.552 53.209 48.380 43.980 39.940 36.204 32.725 29.467 26.400 23.496 20.731 15.530 14.529 13.539 12.557 11.582 10.613 9.648 8.686 7.727 6.769 5.813 4.857 3.903 2.951 2.004 1.063 0.131 -0.788 -1.690 -2.572 -3.430 87.613 78.913 71.289 64.575 58.611 53.268 48.439 44.040 40.002 36.268 32.794 29.541 26.480 23.584 20.829 15.654 14.661 13.679 12.706 11.741 10.783 9.830 8.883 7.939 6.999 6.061 5.126 4.194 3.266 2.343 1.427 0.521 -0.375 -1.255 -2.118 -2.960 88.328 79.576 71.913 65.170 59.187 53.831 48.998 44.604 40.579 36.868 33.425 30.213 27.201 24.364 21.680 16.694 15.749 14.818 13.902 12.998 12.107 11.228 10.359 9.500 8.651 7.812 6.981 6.158 5.344 4.538 3.741 2.952 2.171 1.399 0.637 -0.116 89.001 80.202 72.502 65.731 59.726 54.357 49.517 45.123 41.104 37.406 33.983 30.797 27.818 25.019 22.380 17.506 16.587 15.685 14.799 13.927 13.069 12.225 11.394 10.575 9.767 8.970 8.184 7.407 6.641 5.884 5.136 4.396 3.666 2.943 2.229 1.523 89.641 80.798 73.063 66.264 60.238 54.854 50.005 45.606 41.590 37.900 34.489 31.321 28.364 25.593 22.985 18.186 17.285 16.401 15.534 14.683 13.846 13.024 12.216 11.420 10.637 9.867 9.107 8.358 7.620 6.892 6.174 5.465 4.764 4.073 3.389 2.714 90.256 81.370 73.600 66.774 60.727 55.327 50.467 46.063 42.045 38.358 34.956 31.800 28.859 26.107 23.522 18.778 17.890 17.019 16.165 15.328 14.506 13.699 12.907 12.128 11.362 10.608 9.867 9.137 8.418 7.710 7.011 6.323 5.643 4.973 4.311 3.658 90.850 81.923 74.119 67.265 61.197 55.781 50.910 46.498 42.476 38.790 35.392 32.244 29.315 26.577 24.008 19.306 18.426 17.565 16.722 15.895 15.084 14.288 13.507 12.740 11.987 11.246 10.518 9.802 9.097 8.402 7.718 7.044 6.380 5.725 5.079 4.441 91.427 82.459 74.621 67.740 61.651 56.219 51.335 46.914 42.888 39.199 35.803 32.660 29.739 27.011 24.456 19.785 18.912 18.058 17.223 16.404 15.601 14.814 14.042 13.284 12.540 11.809 11.090 10.384 9.689 9.005 8.332 7.669 7.016 6.373 5.738 5.112 91.990 82.982 75.109 68.202 62.092 56.642 51.745 47.315 43.283 39.591 36.194 33.054 30.137 27.417 24.871 20.224 19.358 18.510 17.680 16.867 16.071 15.290 14.525 13.774 13.037 12.313 11.602 10.904 10.217 9.541 8.876 8.222 7.577 6.943 6.317 5.700 99999.999 83.494 75.586 68.651 62.520 57.054 52.144 47.703 43.664 39.967 36.569 33.429 30.515 27.800 25.261 20.633 19.770 18.927 18.101 17.294 16.502 15.727 14.967 14.222 13.490 12.772 12.067 11.375 10.694 10.025 9.366 8.718 8.080 7.452 6.833 6.223 copper,native Cu P-T:All Wt.(g/mol) = 63.540 V(cc/mol) = 7.113 D(g/cc) = 8.933 Ref: Shock07 5 1.000 16 0.125 6 0.500 2 -0.125 4 -1.125 1 -5.177 -4.548 -3.985 -3.479 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.177 -4.548 -3.985 -3.479 -3.020 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.176 -4.548 -3.985 -3.479 -3.020 -2.602 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.176 -4.548 -3.985 -3.479 -3.020 -2.602 -2.219 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.176 -4.547 -3.985 -3.478 -3.020 -2.602 -2.219 -1.867 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.175 -4.547 -3.984 -3.478 -3.019 -2.601 -2.218 -1.866 -1.541 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.174 -4.546 -3.983 -3.477 -3.018 -2.600 -2.218 -1.865 -1.540 -1.239 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.173 -4.545 -3.982 -3.476 -3.017 -2.599 -2.217 -1.865 -1.539 -1.238 -0.958 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.171 -4.543 -3.981 -3.474 -3.016 -2.598 -2.215 -1.863 -1.538 -1.237 -0.957 -0.697 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 -5.158 -4.531 -3.970 -3.465 -3.007 -2.589 -2.207 -1.855 -1.530 -1.228 -0.947 -0.686 -0.443 -0.214 0.006 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.154 -4.528 -3.967 -3.461 -3.004 -2.587 -2.204 -1.852 -1.527 -1.225 -0.944 -0.683 -0.438 -0.209 0.004 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.150 -4.524 -3.963 -3.458 -3.001 -2.584 -2.202 -1.850 -1.524 -1.222 -0.941 -0.679 -0.434 -0.204 0.007 0.929 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.147 -4.521 -3.960 -3.455 -2.998 -2.581 -2.199 -1.847 -1.522 -1.220 -0.939 -0.676 -0.430 -0.200 0.013 0.649 0.865 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.143 -4.518 -3.957 -3.452 -2.995 -2.578 -2.196 -1.845 -1.519 -1.217 -0.936 -0.673 -0.427 -0.195 0.020 0.576 0.716 0.886 1.085 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.140 -4.514 -3.954 -3.450 -2.993 -2.576 -2.194 -1.842 -1.517 -1.215 -0.933 -0.670 -0.423 -0.190 0.026 0.543 0.657 0.785 0.930 1.092 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.137 -4.512 -3.951 -3.447 -2.990 -2.574 -2.192 -1.840 -1.515 -1.213 -0.931 -0.667 -0.420 -0.186 0.033 0.523 0.626 0.735 0.854 0.984 1.123 1.265 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.135 -4.509 -3.949 -3.445 -2.988 -2.571 -2.190 -1.838 -1.512 -1.210 -0.929 -0.665 -0.417 -0.182 0.038 0.511 0.607 0.706 0.811 0.923 1.042 1.166 1.293 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.132 -4.506 -3.946 -3.442 -2.986 -2.569 -2.187 -1.836 -1.510 -1.208 -0.926 -0.662 -0.414 -0.179 0.043 0.503 0.594 0.688 0.785 0.885 0.991 1.101 1.215 1.331 1.444 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.130 -4.504 -3.944 -3.440 -2.983 -2.567 -2.185 -1.834 -1.508 -1.206 -0.924 -0.660 -0.411 -0.176 0.047 0.497 0.585 0.675 0.767 0.861 0.958 1.059 1.162 1.268 1.375 1.481 1.585 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.128 -4.502 -3.942 -3.438 -2.981 -2.565 -2.183 -1.832 -1.506 -1.204 -0.922 -0.658 -0.409 -0.173 0.051 0.493 0.579 0.666 0.754 0.844 0.935 1.029 1.125 1.223 1.323 1.424 1.523 1.622 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.126 -4.500 -3.939 -3.436 -2.979 -2.563 -2.181 -1.830 -1.505 -1.202 -0.920 -0.656 -0.407 -0.171 0.054 0.490 0.575 0.660 0.745 0.832 0.919 1.008 1.098 1.191 1.284 1.379 1.474 1.569 1.663 1.755 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.125 -4.498 -3.937 -3.434 -2.977 -2.561 -2.180 -1.828 -1.503 -1.200 -0.918 -0.654 -0.405 -0.169 0.056 0.487 0.571 0.655 0.738 0.822 0.907 0.992 1.079 1.167 1.255 1.345 1.436 1.526 1.617 1.707 1.796 99999.999 99999.999 99999.999 99999.999 99999.999 -5.123 -4.496 -3.936 -3.432 -2.975 -2.559 -2.178 -1.826 -1.501 -1.199 -0.917 -0.652 -0.403 -0.167 0.058 0.486 0.569 0.651 0.733 0.816 0.898 0.981 1.064 1.148 1.233 1.319 1.405 1.492 1.579 1.666 1.753 1.838 1.923 99999.999 99999.999 99999.999 -5.122 -4.494 -3.934 -3.430 -2.974 -2.558 -2.176 -1.825 -1.499 -1.197 -0.915 -0.650 -0.401 -0.165 0.060 0.485 0.567 0.649 0.730 0.810 0.891 0.972 1.053 1.134 1.216 1.299 1.382 1.465 1.549 1.633 1.716 1.800 1.883 1.965 99999.999 99999.999 -5.121 -4.492 -3.932 -3.428 -2.972 -2.556 -2.175 -1.823 -1.498 -1.195 -0.913 -0.649 -0.400 -0.164 0.061 0.484 0.566 0.647 0.727 0.806 0.886 0.965 1.044 1.124 1.203 1.283 1.363 1.444 1.524 1.605 1.686 1.767 1.848 1.928 2.008 2.087 -5.120 -4.491 -3.930 -3.427 -2.970 -2.554 -2.173 -1.822 -1.496 -1.194 -0.912 -0.647 -0.398 -0.162 0.062 0.484 0.565 0.645 0.724 0.803 0.882 0.960 1.037 1.115 1.193 1.270 1.348 1.426 1.504 1.583 1.661 1.739 1.818 1.896 1.974 2.051 -5.118 -4.482 -3.919 -3.414 -2.958 -2.542 -2.161 -1.809 -1.484 -1.181 -0.899 -0.634 -0.385 -0.150 0.073 0.488 0.567 0.644 0.720 0.795 0.869 0.941 1.013 1.084 1.154 1.223 1.291 1.359 1.425 1.491 1.557 1.622 1.686 1.750 1.813 1.876 -5.128 -4.481 -3.914 -3.408 -2.951 -2.534 -2.153 -1.801 -1.476 -1.173 -0.890 -0.625 -0.375 -0.140 0.082 0.495 0.573 0.650 0.725 0.799 0.872 0.943 1.014 1.083 1.151 1.218 1.284 1.349 1.413 1.476 1.538 1.600 1.660 1.720 1.779 1.837 -5.147 -4.488 -3.915 -3.406 -2.948 -2.531 -2.149 -1.797 -1.471 -1.167 -0.884 -0.619 -0.369 -0.133 0.089 0.502 0.580 0.656 0.731 0.805 0.877 0.948 1.018 1.087 1.154 1.221 1.286 1.350 1.414 1.476 1.537 1.598 1.657 1.715 1.773 1.830 -5.174 -4.499 -3.921 -3.409 -2.948 -2.530 -2.148 -1.795 -1.468 -1.165 -0.881 -0.615 -0.365 -0.129 0.094 0.507 0.585 0.661 0.736 0.810 0.882 0.953 1.023 1.091 1.159 1.225 1.290 1.354 1.417 1.479 1.540 1.600 1.659 1.718 1.775 1.831 -5.207 -4.516 -3.930 -3.414 -2.952 -2.532 -2.149 -1.795 -1.468 -1.164 -0.880 -0.613 -0.363 -0.126 0.097 0.511 0.589 0.665 0.740 0.814 0.886 0.957 1.027 1.095 1.163 1.229 1.294 1.358 1.421 1.483 1.544 1.604 1.663 1.721 1.778 1.835 -5.246 -4.536 -3.942 -3.422 -2.957 -2.536 -2.151 -1.797 -1.470 -1.165 -0.880 -0.613 -0.362 -0.125 0.099 0.513 0.591 0.668 0.743 0.816 0.889 0.960 1.030 1.099 1.166 1.232 1.297 1.362 1.425 1.487 1.548 1.608 1.667 1.725 1.782 1.838 -5.289 -4.559 -3.957 -3.432 -2.965 -2.542 -2.156 -1.801 -1.473 -1.167 -0.882 -0.614 -0.363 -0.126 0.099 0.514 0.592 0.669 0.744 0.818 0.891 0.962 1.032 1.101 1.168 1.235 1.300 1.364 1.427 1.489 1.550 1.611 1.670 1.728 1.785 1.842 99999.999 -4.585 -3.974 -3.444 -2.974 -2.549 -2.162 -1.806 -1.476 -1.170 -0.885 -0.617 -0.365 -0.127 0.098 0.514 0.592 0.669 0.745 0.819 0.891 0.963 1.033 1.102 1.169 1.236 1.301 1.366 1.429 1.491 1.552 1.612 1.672 1.730 1.787 1.844 copper,native Cu P-T:All Wt.(g/mol) = 63.540 V(cc/mol) = 7.113 D(g/cc) = 8.933 Ref: Shock07 4 1.000 16 -0.250 31 0.500 2 -1.000 1 13.836 12.741 11.819 11.035 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.836 12.741 11.819 11.035 10.361 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.836 12.742 11.820 11.036 10.361 9.775 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.837 12.742 11.820 11.036 10.362 9.776 9.261 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.838 12.743 11.821 11.037 10.363 9.776 9.262 8.806 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.840 12.745 11.823 11.038 10.364 9.778 9.263 8.807 8.398 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.842 12.747 11.825 11.040 10.366 9.780 9.265 8.809 8.400 8.029 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.846 12.751 11.828 11.043 10.369 9.783 9.268 8.811 8.403 8.032 7.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.851 12.755 11.833 11.048 10.373 9.786 9.272 8.815 8.407 8.036 7.696 7.377 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.857 12.762 11.838 11.053 10.378 9.791 9.277 8.820 8.412 8.042 7.702 7.385 7.080 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.866 12.770 11.846 11.060 10.385 9.798 9.283 8.827 8.418 8.049 7.710 7.394 7.092 6.792 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.877 12.780 11.855 11.069 10.393 9.806 9.291 8.835 8.427 8.058 7.720 7.406 7.107 6.814 6.501 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.885 12.788 11.863 11.076 10.400 9.813 9.298 8.841 8.433 8.065 7.727 7.415 7.118 6.829 6.523 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.897 12.799 11.873 11.086 10.409 9.822 9.306 8.850 8.442 8.074 7.738 7.427 7.134 6.850 6.555 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.908 12.809 11.883 11.096 10.419 9.831 9.315 8.859 8.451 8.083 7.748 7.439 7.149 6.870 6.584 6.263 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.919 12.820 11.893 11.105 10.428 9.839 9.324 8.867 8.460 8.092 7.758 7.450 7.162 6.888 6.612 6.251 6.178 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.930 12.830 11.903 11.114 10.436 9.848 9.332 8.876 8.468 8.101 7.767 7.461 7.175 6.905 6.637 6.257 6.180 6.102 6.006 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.941 12.840 11.912 11.123 10.445 9.856 9.340 8.884 8.476 8.110 7.777 7.471 7.188 6.921 6.660 6.269 6.189 6.112 6.033 5.944 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.951 12.850 11.922 11.132 10.454 9.865 9.348 8.892 8.485 8.118 7.786 7.481 7.200 6.936 6.681 6.281 6.202 6.124 6.046 5.968 5.883 5.785 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.961 12.860 11.931 11.141 10.462 9.873 9.356 8.900 8.492 8.126 7.794 7.491 7.211 6.950 6.700 6.294 6.215 6.137 6.060 5.984 5.906 5.824 5.735 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.971 12.870 11.940 11.150 10.470 9.881 9.364 8.907 8.500 8.134 7.803 7.500 7.221 6.963 6.717 6.307 6.227 6.150 6.073 5.998 5.923 5.847 5.769 5.686 5.596 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.981 12.879 11.949 11.158 10.478 9.889 9.372 8.915 8.508 8.142 7.811 7.509 7.232 6.975 6.733 6.319 6.240 6.163 6.087 6.012 5.938 5.865 5.791 5.715 5.637 5.555 5.470 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.990 12.888 11.958 11.167 10.486 9.896 9.379 8.923 8.515 8.150 7.819 7.518 7.241 6.986 6.747 6.331 6.252 6.175 6.100 6.026 5.953 5.881 5.809 5.737 5.664 5.590 5.514 5.436 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.000 12.897 11.967 11.175 10.494 9.904 9.387 8.930 8.523 8.157 7.827 7.526 7.250 6.996 6.760 6.342 6.264 6.188 6.113 6.039 5.967 5.896 5.825 5.755 5.685 5.615 5.544 5.473 5.401 5.329 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.009 12.906 11.975 11.183 10.502 9.911 9.394 8.937 8.530 8.165 7.835 7.534 7.259 7.006 6.771 6.353 6.276 6.199 6.125 6.052 5.980 5.910 5.840 5.772 5.703 5.636 5.568 5.501 5.433 5.366 5.300 99999.999 99999.999 99999.999 99999.999 99999.999 14.018 12.915 11.983 11.191 10.510 9.919 9.401 8.944 8.537 8.172 7.842 7.542 7.268 7.015 6.782 6.364 6.287 6.211 6.137 6.064 5.993 5.923 5.854 5.787 5.720 5.654 5.588 5.523 5.459 5.395 5.332 5.270 5.209 99999.999 99999.999 99999.999 14.026 12.923 11.992 11.199 10.517 9.926 9.408 8.951 8.544 8.179 7.849 7.550 7.276 7.024 6.791 6.374 6.297 6.222 6.148 6.076 6.005 5.936 5.868 5.801 5.735 5.670 5.606 5.542 5.480 5.418 5.357 5.298 5.240 5.183 99999.999 99999.999 14.035 12.932 12.000 11.207 10.525 9.933 9.415 8.958 8.551 8.186 7.857 7.557 7.284 7.032 6.800 6.385 6.308 6.233 6.159 6.088 6.017 5.949 5.881 5.815 5.749 5.685 5.622 5.559 5.498 5.438 5.379 5.321 5.264 5.209 5.156 5.106 14.043 12.940 12.008 11.214 10.532 9.940 9.422 8.965 8.558 8.193 7.864 7.564 7.291 7.040 6.809 6.394 6.318 6.243 6.170 6.099 6.029 5.961 5.893 5.827 5.763 5.699 5.637 5.575 5.515 5.456 5.398 5.341 5.286 5.232 5.180 5.130 14.117 13.016 12.081 11.285 10.600 10.006 9.486 9.028 8.621 8.256 7.928 7.631 7.360 7.112 6.884 6.479 6.405 6.333 6.262 6.194 6.127 6.061 5.997 5.935 5.874 5.814 5.756 5.699 5.643 5.588 5.534 5.481 5.430 5.379 5.330 5.282 14.178 13.081 12.146 11.347 10.660 10.064 9.543 9.084 8.676 8.311 7.984 7.688 7.418 7.172 6.947 6.547 6.475 6.404 6.335 6.268 6.203 6.139 6.077 6.017 5.958 5.901 5.844 5.789 5.735 5.683 5.631 5.581 5.531 5.483 5.435 5.389 14.227 13.137 12.202 11.403 10.714 10.117 9.594 9.133 8.725 8.360 8.033 7.738 7.469 7.225 7.001 6.605 6.533 6.464 6.396 6.330 6.266 6.204 6.143 6.084 6.026 5.970 5.915 5.862 5.810 5.759 5.709 5.660 5.612 5.565 5.519 5.474 14.269 13.187 12.253 11.453 10.763 10.164 9.640 9.179 8.770 8.405 8.077 7.782 7.515 7.271 7.048 6.655 6.584 6.515 6.448 6.383 6.320 6.258 6.199 6.141 6.084 6.029 5.975 5.923 5.872 5.822 5.773 5.725 5.678 5.633 5.588 5.544 14.303 13.231 12.300 11.499 10.808 10.208 9.683 9.221 8.811 8.445 8.118 7.823 7.555 7.312 7.090 6.700 6.629 6.561 6.494 6.430 6.367 6.306 6.247 6.190 6.134 6.080 6.027 5.975 5.925 5.876 5.828 5.781 5.735 5.690 5.646 5.604 14.331 13.270 12.342 11.542 10.850 10.249 9.723 9.259 8.849 8.483 8.155 7.860 7.593 7.350 7.129 6.740 6.670 6.601 6.535 6.471 6.409 6.349 6.290 6.234 6.178 6.124 6.072 6.021 5.971 5.923 5.875 5.829 5.784 5.740 5.697 5.655 14.355 13.306 12.381 11.581 10.889 10.287 9.760 9.296 8.885 8.518 8.190 7.894 7.628 7.385 7.164 6.776 6.706 6.639 6.573 6.509 6.447 6.387 6.329 6.273 6.218 6.164 6.112 6.062 6.013 5.965 5.918 5.872 5.828 5.784 5.742 5.700 99999.999 13.338 12.417 11.618 10.926 10.323 9.795 9.330 8.918 8.551 8.222 7.927 7.660 7.418 7.197 6.810 6.740 6.672 6.607 6.544 6.482 6.422 6.365 6.308 6.254 6.201 6.149 6.099 6.050 6.002 5.956 5.911 5.866 5.823 5.781 5.740 dolomite,disordered CaMg(CO3)2 P-T:All Wt.(g/mol) = 184.410 V(cc/mol) = 64.390 D(g/cc) = 2.864 Ref: Shock07 4 1.000 9 1.000 10 2.000 5 -2.000 1 5.147 4.058 3.037 2.091 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.147 4.058 3.037 2.091 1.207 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.149 4.059 3.038 2.092 1.208 0.369 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.151 4.062 3.040 2.094 1.210 0.371 -0.440 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.157 4.066 3.044 2.098 1.214 0.374 -0.436 -1.234 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.165 4.072 3.050 2.103 1.219 0.380 -0.430 -1.227 -2.025 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.177 4.082 3.059 2.112 1.227 0.388 -0.421 -1.217 -2.014 -2.832 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.194 4.096 3.071 2.123 1.239 0.401 -0.408 -1.203 -1.997 -2.812 -3.677 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.217 4.115 3.088 2.140 1.255 0.417 -0.391 -1.183 -1.975 -2.786 -3.643 -4.586 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.249 4.140 3.111 2.161 1.276 0.439 -0.367 -1.157 -1.946 -2.751 -3.598 -4.526 -5.586 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.289 4.173 3.140 2.189 1.304 0.468 -0.337 -1.124 -1.908 -2.706 -3.542 -4.450 -5.477 -6.704 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.340 4.215 3.178 2.225 1.339 0.504 -0.298 -1.082 -1.860 -2.649 -3.471 -4.355 -5.343 -6.508 -8.039 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.379 4.247 3.207 2.252 1.366 0.531 -0.269 -1.049 -1.823 -2.606 -3.418 -4.285 -5.245 -6.363 -7.845 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.435 4.292 3.247 2.291 1.404 0.570 -0.227 -1.004 -1.772 -2.547 -3.345 -4.189 -5.111 -6.168 -7.547 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.489 4.337 3.287 2.329 1.442 0.609 -0.187 -0.960 -1.723 -2.489 -3.274 -4.097 -4.985 -5.986 -7.261 -7.008 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.542 4.380 3.326 2.366 1.479 0.646 -0.147 -0.917 -1.674 -2.433 -3.206 -4.010 -4.867 -5.817 -6.994 -7.599 -7.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.594 4.423 3.365 2.403 1.515 0.683 -0.108 -0.874 -1.627 -2.379 -3.141 -3.928 -4.757 -5.661 -6.750 -7.645 -7.861 -8.046 -8.362 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.645 4.465 3.403 2.439 1.550 0.720 -0.070 -0.833 -1.581 -2.326 -3.078 -3.849 -4.653 -5.516 -6.526 -7.580 -7.851 -8.102 -8.354 -8.685 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.695 4.506 3.440 2.474 1.585 0.755 -0.032 -0.792 -1.536 -2.275 -3.017 -3.774 -4.556 -5.383 -6.324 -7.484 -7.774 -8.055 -8.330 -8.618 -8.962 -9.435 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.744 4.547 3.477 2.509 1.620 0.790 0.004 -0.753 -1.492 -2.225 -2.959 -3.703 -4.465 -5.261 -6.142 -7.379 -7.674 -7.966 -8.255 -8.547 -8.854 -9.204 -9.634 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.792 4.587 3.513 2.543 1.654 0.825 0.040 -0.714 -1.449 -2.176 -2.902 -3.634 -4.379 -5.148 -5.979 -7.271 -7.567 -7.862 -8.156 -8.452 -8.753 -9.071 -9.420 -9.823 -10.295 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.840 4.626 3.549 2.577 1.687 0.859 0.076 -0.676 -1.407 -2.129 -2.848 -3.569 -4.299 -5.045 -5.834 -7.165 -7.458 -7.753 -8.048 -8.344 -8.643 -8.950 -9.272 -9.617 -9.998 -10.422 -10.892 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.886 4.665 3.584 2.610 1.720 0.892 0.111 -0.638 -1.366 -2.083 -2.795 -3.507 -4.224 -4.950 -5.705 -7.060 -7.351 -7.643 -7.936 -8.231 -8.528 -8.829 -9.138 -9.459 -9.798 -10.160 -10.549 -10.965 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.931 4.703 3.618 2.643 1.752 0.925 0.145 -0.602 -1.326 -2.038 -2.744 -3.447 -4.153 -4.863 -5.590 -6.959 -7.246 -7.534 -7.824 -8.116 -8.410 -8.708 -9.009 -9.318 -9.635 -9.965 -10.310 -10.671 -11.047 -11.434 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 5.976 4.740 3.652 2.675 1.784 0.957 0.179 -0.566 -1.287 -1.994 -2.694 -3.390 -4.086 -4.783 -5.488 -6.860 -7.143 -7.428 -7.714 -8.003 -8.293 -8.586 -8.883 -9.183 -9.489 -9.801 -10.121 -10.451 -10.788 -11.132 -11.479 99999.999 99999.999 99999.999 99999.999 99999.999 6.020 4.777 3.685 2.707 1.815 0.989 0.212 -0.530 -1.248 -1.951 -2.646 -3.335 -4.022 -4.708 -5.398 -6.765 -7.044 -7.325 -7.607 -7.891 -8.178 -8.467 -8.758 -9.052 -9.350 -9.652 -9.957 -10.268 -10.582 -10.900 -11.218 -11.533 -11.842 99999.999 99999.999 99999.999 6.063 4.813 3.718 2.738 1.846 1.020 0.244 -0.495 -1.210 -1.909 -2.599 -3.282 -3.962 -4.639 -5.316 -6.673 -6.948 -7.224 -7.503 -7.783 -8.065 -8.350 -8.637 -8.926 -9.217 -9.511 -9.807 -10.105 -10.405 -10.706 -11.006 -11.302 -11.593 -11.874 99999.999 99999.999 6.105 4.848 3.751 2.769 1.876 1.051 0.276 -0.461 -1.173 -1.868 -2.553 -3.230 -3.903 -4.573 -5.241 -6.583 -6.854 -7.127 -7.401 -7.678 -7.956 -8.236 -8.518 -8.802 -9.088 -9.376 -9.665 -9.955 -10.246 -10.536 -10.823 -11.108 -11.386 -11.656 -11.915 -12.159 6.146 4.883 3.783 2.800 1.906 1.081 0.308 -0.428 -1.137 -1.828 -2.508 -3.180 -3.847 -4.510 -5.171 -6.496 -6.764 -7.033 -7.303 -7.575 -7.849 -8.125 -8.403 -8.682 -8.963 -9.246 -9.529 -9.813 -10.097 -10.379 -10.659 -10.935 -11.206 -11.469 -11.722 -11.962 6.522 5.206 4.078 3.082 2.185 1.363 0.599 -0.120 -0.805 -1.465 -2.107 -2.735 -3.353 -3.961 -4.563 -5.751 -5.988 -6.226 -6.463 -6.701 -6.940 -7.180 -7.420 -7.662 -7.904 -8.147 -8.391 -8.635 -8.880 -9.125 -9.370 -9.613 -9.856 -10.098 -10.337 -10.573 6.840 5.485 4.338 3.332 2.431 1.611 0.854 0.147 -0.520 -1.157 -1.771 -2.367 -2.948 -3.516 -4.074 -5.166 -5.382 -5.597 -5.812 -6.026 -6.240 -6.455 -6.669 -6.884 -7.099 -7.315 -7.531 -7.747 -7.964 -8.182 -8.400 -8.618 -8.836 -9.055 -9.274 -9.492 7.111 5.730 4.569 3.555 2.651 1.832 1.081 0.384 -0.270 -0.890 -1.482 -2.052 -2.605 -3.142 -3.667 -4.685 -4.884 -5.083 -5.281 -5.478 -5.674 -5.870 -6.066 -6.262 -6.457 -6.652 -6.848 -7.044 -7.239 -7.436 -7.632 -7.829 -8.026 -8.224 -8.422 -8.621 7.345 5.947 4.776 3.756 2.851 2.033 1.286 0.596 -0.048 -0.653 -1.228 -1.778 -2.308 -2.820 -3.318 -4.277 -4.464 -4.650 -4.835 -5.018 -5.201 -5.383 -5.564 -5.745 -5.925 -6.105 -6.285 -6.464 -6.644 -6.824 -7.003 -7.184 -7.364 -7.545 -7.726 -7.907 7.550 6.141 4.963 3.939 3.033 2.216 1.473 0.789 0.154 -0.441 -1.002 -1.536 -2.047 -2.538 -3.014 -3.925 -4.102 -4.277 -4.451 -4.624 -4.795 -4.966 -5.136 -5.305 -5.473 -5.641 -5.808 -5.975 -6.142 -6.309 -6.475 -6.642 -6.809 -6.976 -7.143 -7.311 7.729 6.316 5.133 4.107 3.200 2.385 1.645 0.966 0.338 -0.248 -0.798 -1.318 -1.813 -2.288 -2.745 -3.616 -3.784 -3.951 -4.116 -4.280 -4.442 -4.604 -4.764 -4.923 -5.082 -5.240 -5.397 -5.554 -5.711 -5.867 -6.023 -6.179 -6.335 -6.491 -6.647 -6.803 7.888 6.476 5.289 4.262 3.354 2.541 1.804 1.129 0.507 -0.071 -0.612 -1.121 -1.603 -2.063 -2.505 -3.341 -3.502 -3.662 -3.820 -3.976 -4.131 -4.284 -4.437 -4.589 -4.739 -4.889 -5.038 -5.187 -5.335 -5.482 -5.630 -5.777 -5.924 -6.071 -6.218 -6.366 99999.999 6.622 5.434 4.405 3.498 2.687 1.952 1.281 0.664 0.093 -0.440 -0.940 -1.412 -1.860 -2.288 -3.095 -3.250 -3.403 -3.555 -3.705 -3.853 -4.000 -4.146 -4.291 -4.435 -4.578 -4.720 -4.862 -5.003 -5.144 -5.284 -5.424 -5.564 -5.703 -5.843 -5.983 ferrous-oxide FeO P-T:All Wt.(g/mol) = 71.850 V(cc/mol) = 12.000 D(g/cc) = 5.987 Ref: Shock07 3 1.000 11 1.000 2 -2.000 1 15.228 13.532 12.094 10.864 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.228 13.532 12.094 10.864 9.799 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.228 13.532 12.094 10.864 9.799 8.866 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.229 13.533 12.095 10.865 9.800 8.866 8.039 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.230 13.534 12.096 10.866 9.801 8.867 8.040 7.298 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.232 13.536 12.098 10.868 9.802 8.869 8.042 7.300 6.626 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.235 13.539 12.101 10.870 9.805 8.872 8.045 7.303 6.629 6.010 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.240 13.543 12.105 10.874 9.809 8.876 8.048 7.307 6.634 6.015 5.437 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.246 13.549 12.110 10.879 9.814 8.881 8.054 7.312 6.640 6.023 5.445 4.895 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.253 13.556 12.117 10.886 9.821 8.888 8.061 7.320 6.648 6.032 5.456 4.909 4.381 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.264 13.565 12.126 10.895 9.829 8.896 8.070 7.330 6.659 6.044 5.471 4.927 4.403 3.905 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.276 13.578 12.138 10.906 9.840 8.907 8.081 7.342 6.672 6.059 5.488 4.949 4.431 3.931 3.505 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.286 13.587 12.146 10.914 9.849 8.916 8.090 7.351 6.682 6.070 5.502 4.966 4.453 3.955 3.469 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.300 13.600 12.159 10.926 9.860 8.928 8.103 7.364 6.697 6.086 5.521 4.990 4.484 3.994 3.487 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.313 13.612 12.171 10.938 9.872 8.940 8.115 7.377 6.710 6.102 5.539 5.013 4.514 4.032 3.532 5.353 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.326 13.625 12.183 10.950 9.883 8.951 8.127 7.390 6.724 6.116 5.556 5.034 4.542 4.070 3.584 3.950 4.496 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.339 13.637 12.194 10.961 9.895 8.962 8.138 7.402 6.737 6.131 5.573 5.055 4.569 4.106 3.637 3.613 3.771 4.095 4.575 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.351 13.648 12.206 10.972 9.905 8.973 8.149 7.414 6.750 6.145 5.590 5.075 4.594 4.140 3.688 3.468 3.502 3.614 3.823 4.122 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.363 13.660 12.217 10.983 9.916 8.984 8.160 7.425 6.762 6.159 5.605 5.094 4.618 4.172 3.735 3.392 3.369 3.391 3.469 3.610 3.806 4.023 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.374 13.671 12.227 10.993 9.927 8.994 8.171 7.436 6.774 6.172 5.620 5.112 4.640 4.201 3.778 3.348 3.295 3.270 3.281 3.333 3.429 3.562 3.712 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.385 13.682 12.238 11.004 9.937 9.005 8.182 7.448 6.786 6.185 5.635 5.129 4.661 4.228 3.817 3.323 3.251 3.199 3.171 3.172 3.205 3.269 3.359 3.464 3.570 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.396 13.693 12.249 11.014 9.947 9.015 8.192 7.458 6.798 6.198 5.649 5.145 4.680 4.252 3.851 3.309 3.224 3.155 3.104 3.073 3.066 3.083 3.124 3.184 3.258 3.335 3.408 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.407 13.703 12.259 11.024 9.957 9.025 8.202 7.469 6.809 6.210 5.663 5.160 4.698 4.274 3.880 3.302 3.209 3.127 3.060 3.009 2.975 2.961 2.966 2.989 3.029 3.079 3.135 3.192 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.417 13.713 12.269 11.033 9.966 9.034 8.212 7.479 6.820 6.222 5.676 5.175 4.715 4.293 3.906 3.300 3.201 3.111 3.033 2.967 2.916 2.879 2.858 2.854 2.864 2.888 2.921 2.961 3.005 3.051 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.427 13.723 12.278 11.043 9.976 9.044 8.222 7.490 6.831 6.234 5.689 5.189 4.731 4.311 3.927 3.302 3.198 3.102 3.016 2.940 2.875 2.823 2.784 2.758 2.746 2.747 2.758 2.779 2.807 2.840 2.877 99999.999 99999.999 99999.999 99999.999 99999.999 15.437 13.733 12.288 11.052 9.985 9.053 8.231 7.500 6.842 6.245 5.701 5.203 4.746 4.327 3.945 3.307 3.199 3.098 3.006 2.922 2.848 2.785 2.732 2.691 2.661 2.643 2.635 2.638 2.649 2.667 2.691 2.721 2.756 99999.999 99999.999 99999.999 15.446 13.743 12.297 11.062 9.994 9.062 8.241 7.509 6.852 6.256 5.713 5.216 4.760 4.342 3.961 3.313 3.202 3.098 3.001 2.912 2.831 2.759 2.696 2.643 2.599 2.566 2.543 2.529 2.525 2.528 2.539 2.556 2.579 2.608 99999.999 99999.999 15.455 13.752 12.307 11.071 10.003 9.071 8.250 7.519 6.862 6.267 5.725 5.229 4.773 4.356 3.975 3.321 3.208 3.101 3.000 2.907 2.820 2.742 2.671 2.608 2.555 2.510 2.474 2.447 2.428 2.418 2.416 2.420 2.431 2.449 2.472 2.502 15.464 13.761 12.316 11.080 10.012 9.080 8.259 7.528 6.872 6.278 5.737 5.241 4.786 4.369 3.989 3.330 3.215 3.106 3.003 2.905 2.815 2.731 2.654 2.584 2.522 2.468 2.422 2.384 2.354 2.332 2.317 2.309 2.309 2.315 2.327 2.346 15.541 13.843 12.397 11.160 10.092 9.161 8.341 7.614 6.962 6.374 5.839 5.351 4.903 4.491 4.112 3.442 3.320 3.203 3.089 2.979 2.873 2.770 2.671 2.575 2.483 2.394 2.308 2.226 2.147 2.072 2.000 1.932 1.867 1.806 1.748 1.694 15.599 13.910 12.466 11.229 10.161 9.230 8.411 7.686 7.038 6.454 5.925 5.443 5.001 4.595 4.221 3.555 3.434 3.316 3.202 3.090 2.982 2.877 2.775 2.676 2.579 2.484 2.393 2.303 2.216 2.131 2.048 1.967 1.888 1.811 1.737 1.664 15.642 13.965 12.524 11.288 10.220 9.289 8.472 7.748 7.102 6.522 5.998 5.520 5.084 4.683 4.314 3.657 3.537 3.420 3.307 3.197 3.090 2.985 2.884 2.784 2.688 2.593 2.501 2.411 2.322 2.236 2.152 2.069 1.988 1.908 1.830 1.753 15.673 14.010 12.574 11.339 10.272 9.342 8.525 7.803 7.159 6.582 6.061 5.588 5.156 4.760 4.395 3.747 3.628 3.513 3.402 3.293 3.187 3.084 2.984 2.886 2.790 2.697 2.606 2.517 2.429 2.344 2.260 2.178 2.097 2.018 1.940 1.864 15.694 14.048 12.617 11.385 10.318 9.389 8.573 7.852 7.210 6.635 6.116 5.646 5.218 4.826 4.466 3.826 3.709 3.596 3.486 3.378 3.274 3.173 3.074 2.977 2.883 2.791 2.702 2.614 2.528 2.444 2.362 2.281 2.202 2.124 2.048 1.972 15.708 14.079 12.655 11.425 10.360 9.431 8.616 7.896 7.255 6.682 6.165 5.698 5.273 4.885 4.528 3.896 3.781 3.669 3.560 3.454 3.352 3.252 3.154 3.059 2.967 2.876 2.788 2.702 2.617 2.535 2.454 2.375 2.297 2.221 2.146 2.072 15.715 14.106 12.688 11.461 10.397 9.470 8.655 7.936 7.296 6.724 6.210 5.745 5.323 4.937 4.584 3.958 3.844 3.734 3.626 3.522 3.421 3.322 3.226 3.132 3.041 2.952 2.865 2.780 2.697 2.616 2.537 2.459 2.383 2.308 2.234 2.162 99999.999 14.128 12.717 11.493 10.431 9.505 8.691 7.973 7.334 6.763 6.250 5.787 5.367 4.984 4.634 4.014 3.901 3.792 3.686 3.583 3.482 3.385 3.290 3.198 3.108 3.020 2.934 2.851 2.769 2.689 2.611 2.534 2.459 2.386 2.314 2.243 fluorite CaF2 P-T:All Wt.(g/mol) = 78.080 V(cc/mol) = 24.542 D(g/cc) = 3.181 Ref: Shock07 2 1.000 9 2.000 23 -10.310 -10.037 -9.923 -9.908 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.310 -10.037 -9.923 -9.908 -9.967 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.309 -10.036 -9.922 -9.907 -9.966 -10.088 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.306 -10.034 -9.920 -9.905 -9.964 -10.086 -10.265 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.302 -10.031 -9.917 -9.902 -9.961 -10.083 -10.262 -10.497 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -10.296 -10.025 -9.912 -9.897 -9.956 -10.078 -10.256 -10.491 -10.784 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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1.000 4 135.865 123.463 112.681 103.241 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 135.865 123.463 112.681 103.241 94.898 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 135.867 123.465 112.683 103.243 94.900 87.454 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 135.871 123.469 112.687 103.247 94.903 87.458 80.751 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 135.879 123.476 112.693 103.253 94.910 87.464 80.757 74.662 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 135.891 123.487 112.704 103.263 94.919 87.473 80.767 74.672 69.082 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 135.909 123.503 112.719 103.278 94.934 87.488 80.782 74.687 69.098 63.921 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 135.935 123.527 112.742 103.300 94.955 87.509 80.803 74.709 69.122 63.947 59.094 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 135.970 123.560 112.772 103.329 94.983 87.537 80.832 74.740 69.155 63.984 59.138 54.522 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 136.017 123.603 112.813 103.368 95.022 87.575 80.871 74.780 69.198 64.032 59.196 54.597 50.120 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 136.079 123.660 112.867 103.420 95.072 87.625 80.921 74.832 69.254 64.095 59.269 54.691 50.254 45.780 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 136.158 123.733 112.935 103.485 95.136 87.688 80.985 74.899 69.325 64.173 59.362 54.807 50.415 46.039 41.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 136.220 123.789 112.988 103.536 95.185 87.737 81.035 74.950 69.379 64.233 59.431 54.894 50.533 46.220 41.615 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 136.307 123.870 113.064 103.608 95.255 87.807 81.105 75.023 69.456 64.318 59.529 55.014 50.692 46.455 42.046 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 136.393 123.950 113.139 103.680 95.325 87.876 81.174 75.094 69.532 64.400 59.623 55.128 50.841 46.669 42.404 32.851 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 136.479 124.029 113.213 103.751 95.394 87.944 81.243 75.164 69.606 64.481 59.714 55.237 50.982 46.864 42.715 34.942 32.598 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 136.564 124.107 113.287 103.821 95.462 88.011 81.310 75.234 69.679 64.559 59.803 55.342 51.114 47.043 42.991 35.604 33.829 31.782 29.244 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 136.649 124.185 113.360 103.891 95.530 88.078 81.377 75.302 69.750 64.637 59.889 55.443 51.239 47.210 43.239 36.026 34.431 32.731 30.854 28.702 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 136.733 124.262 113.433 103.960 95.597 88.144 81.443 75.370 69.821 64.712 59.972 55.540 51.358 47.364 43.462 36.350 34.845 33.290 31.654 29.896 27.967 25.832 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 136.816 124.339 113.505 104.029 95.663 88.209 81.509 75.437 69.890 64.786 60.054 55.634 51.470 47.508 43.664 36.618 35.169 33.695 32.180 30.603 28.937 27.159 25.251 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 136.899 124.415 113.576 104.097 95.729 88.274 81.574 75.503 69.959 64.859 60.134 55.724 51.577 47.641 43.848 36.850 35.440 34.018 32.576 31.100 29.576 27.989 26.325 24.577 22.750 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 136.981 124.491 113.647 104.165 95.794 88.338 81.638 75.568 70.026 64.931 60.211 55.811 51.679 47.766 44.014 37.057 35.676 34.292 32.898 31.487 30.050 28.577 27.057 25.485 23.858 22.182 20.470 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.062 124.566 113.718 104.232 95.859 88.402 81.701 75.632 70.093 65.001 60.288 55.896 51.777 47.884 44.166 37.245 35.886 34.531 33.173 31.808 30.429 29.029 27.603 26.144 24.650 23.121 21.563 19.984 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.143 124.640 113.788 104.298 95.924 88.465 81.764 75.696 70.159 65.070 60.362 55.978 51.870 47.994 44.304 37.417 36.077 34.744 33.414 32.083 30.746 29.399 28.037 26.655 25.252 23.826 22.379 20.916 19.444 17.974 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 137.224 124.714 113.857 104.365 95.988 88.527 81.826 75.759 70.223 65.138 60.435 56.058 51.959 48.097 44.430 37.578 36.253 34.939 33.631 32.326 31.021 29.713 28.397 27.071 25.733 24.381 23.015 21.639 20.256 18.873 17.497 99999.999 99999.999 99999.999 99999.999 99999.999 137.304 124.788 113.926 104.430 96.051 88.589 81.888 75.821 70.287 65.205 60.506 56.135 52.046 48.196 44.547 37.728 36.417 35.118 33.828 32.545 31.266 29.987 28.707 27.423 26.133 24.835 23.530 22.219 20.905 19.591 18.283 16.986 15.708 99999.999 99999.999 99999.999 137.383 124.861 113.995 104.496 96.114 88.651 81.949 75.883 70.351 65.271 60.576 56.211 52.129 48.289 44.655 37.870 36.570 35.284 34.010 32.744 31.486 30.232 28.980 27.728 26.475 25.220 23.962 22.701 21.440 20.181 18.927 17.683 16.454 15.246 99999.999 99999.999 137.462 124.934 114.063 104.560 96.176 88.712 82.009 75.944 70.413 65.336 60.645 56.285 52.210 48.379 44.757 38.004 36.714 35.440 34.179 32.929 31.687 30.453 29.224 27.999 26.776 25.553 24.332 23.111 21.892 20.676 19.467 18.267 17.080 15.910 14.760 13.635 137.540 125.006 114.131 104.625 96.238 88.772 82.070 76.004 70.475 65.400 60.713 56.358 52.288 48.466 44.854 38.132 36.851 35.587 34.337 33.100 31.874 30.656 29.447 28.243 27.044 25.848 24.656 23.467 22.282 21.103 19.929 18.765 17.613 16.476 15.357 14.260 138.299 125.707 114.787 105.248 96.838 89.356 82.645 76.580 71.060 66.003 61.342 57.023 53.000 49.235 45.695 39.180 37.954 36.750 35.567 34.403 33.258 32.131 31.020 29.924 28.843 27.776 26.722 25.681 24.653 23.636 22.631 21.637 20.655 19.685 18.727 17.781 139.021 126.374 115.412 105.840 97.404 89.905 83.183 77.114 71.596 66.548 61.903 57.606 53.612 49.882 46.386 39.984 38.785 37.611 36.460 35.330 34.222 33.133 32.064 31.012 29.977 28.959 27.957 26.970 25.997 25.039 24.094 23.161 22.242 21.335 20.440 19.556 139.712 127.013 116.010 106.406 97.945 90.427 83.693 77.616 72.096 67.052 62.416 58.133 54.158 50.452 46.984 40.654 39.473 38.317 37.185 36.076 34.989 33.923 32.877 31.851 30.842 29.852 28.878 27.920 26.978 26.051 25.138 24.239 23.353 22.481 21.620 20.772 140.379 127.630 116.587 106.951 98.465 90.928 84.179 78.093 72.569 67.525 62.893 58.619 54.656 50.967 47.518 41.239 40.069 38.925 37.806 36.711 35.639 34.588 33.557 32.547 31.556 30.582 29.627 28.688 27.765 26.858 25.966 25.088 24.224 23.373 22.535 21.710 141.027 128.228 117.146 107.478 98.968 91.410 84.647 78.550 73.019 67.972 63.342 59.073 55.118 51.440 48.006 41.762 40.601 39.466 38.356 37.270 36.208 35.168 34.148 33.149 32.170 31.209 30.266 29.340 28.431 27.537 26.659 25.796 24.947 24.111 23.289 22.479 141.659 128.812 117.690 107.991 99.455 91.878 85.099 78.990 73.452 68.400 63.768 59.501 55.551 51.881 48.456 42.239 41.084 39.955 38.853 37.774 36.719 35.686 34.675 33.684 32.713 31.761 30.828 29.911 29.012 28.128 27.260 26.408 25.569 24.744 23.933 23.134 142.278 129.383 118.221 108.491 99.930 92.333 85.538 79.417 73.869 68.811 64.176 59.908 55.961 52.295 48.878 42.679 41.529 40.406 39.308 38.235 37.185 36.158 35.153 34.169 33.204 32.259 31.332 30.422 29.530 28.654 27.794 26.949 26.118 25.301 24.498 23.708 99999.999 129.944 118.742 108.980 100.394 92.777 85.965 79.831 74.273 69.208 64.569 60.299 56.352 52.689 49.276 43.091 41.944 40.824 39.730 38.661 37.616 36.593 35.593 34.613 33.653 32.713 31.791 30.887 30.000 29.130 28.275 27.436 26.611 25.800 25.003 24.219 gold,native Au Ssln ID, Coef: 10 1.000 P-T:All Wt.(g/mol) = 196.970 V(cc/mol) = 10.215 D(g/cc) = 19.282 Ref: Shock07 5 1.000 19 0.125 6 0.500 2 -0.125 4 -1.125 1 -27.082 -24.376 -22.077 -20.098 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -27.082 -24.376 -22.077 -20.098 -18.374 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -27.082 -24.376 -22.077 -20.098 -18.374 -16.857 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 8.667 8.114 7.641 7.236 6.887 6.582 6.315 6.078 5.867 5.677 5.504 5.346 5.201 5.066 4.940 4.706 4.661 4.616 4.571 4.527 4.482 4.437 4.391 4.345 4.297 4.249 4.201 4.151 4.101 4.050 3.999 3.949 3.899 99999.999 99999.999 99999.999 8.673 8.120 7.647 7.242 6.892 6.587 6.319 6.083 5.871 5.681 5.509 5.351 5.206 5.071 4.946 4.714 4.669 4.625 4.581 4.538 4.494 4.450 4.406 4.362 4.317 4.271 4.225 4.179 4.132 4.084 4.037 3.990 3.943 3.898 99999.999 99999.999 8.679 8.126 7.652 7.247 6.896 6.592 6.324 6.087 5.876 5.685 5.513 5.356 5.211 5.077 4.952 4.721 4.677 4.634 4.591 4.548 4.505 4.462 4.420 4.377 4.333 4.290 4.246 4.202 4.157 4.113 4.068 4.024 3.980 3.936 3.894 3.853 8.684 8.131 7.658 7.252 6.901 6.596 6.328 6.091 5.880 5.690 5.517 5.360 5.216 5.082 4.957 4.728 4.685 4.642 4.599 4.557 4.515 4.474 4.432 4.390 4.348 4.306 4.264 4.222 4.179 4.137 4.095 4.052 4.010 3.969 3.928 3.889 8.735 8.182 7.706 7.298 6.945 6.638 6.369 6.131 5.919 5.729 5.557 5.400 5.258 5.126 5.004 4.785 4.744 4.704 4.665 4.627 4.590 4.553 4.516 4.480 4.445 4.410 4.376 4.342 4.308 4.275 4.242 4.210 4.178 4.146 4.115 4.084 8.775 8.225 7.748 7.339 6.984 6.676 6.405 6.166 5.953 5.762 5.591 5.435 5.293 5.162 5.042 4.828 4.788 4.750 4.712 4.676 4.640 4.605 4.570 4.537 4.504 4.471 4.440 4.408 4.378 4.348 4.318 4.289 4.260 4.231 4.203 4.176 8.807 8.261 7.785 7.374 7.019 6.709 6.437 6.197 5.983 5.792 5.620 5.465 5.323 5.193 5.074 4.862 4.824 4.786 4.749 4.714 4.679 4.645 4.611 4.579 4.547 4.516 4.486 4.456 4.427 4.398 4.370 4.342 4.315 4.289 4.262 4.237 8.833 8.293 7.818 7.407 7.050 6.739 6.466 6.225 6.011 5.819 5.647 5.491 5.350 5.221 5.102 4.892 4.854 4.817 4.780 4.745 4.711 4.678 4.645 4.613 4.582 4.552 4.522 4.494 4.465 4.438 4.410 4.384 4.358 4.332 4.307 4.282 8.852 8.320 7.847 7.436 7.078 6.766 6.493 6.251 6.036 5.844 5.671 5.516 5.374 5.245 5.127 4.918 4.880 4.843 4.807 4.772 4.739 4.706 4.674 4.642 4.612 4.582 4.553 4.525 4.497 4.470 4.443 4.418 4.392 4.367 4.343 4.319 8.868 8.344 7.873 7.462 7.105 6.792 6.517 6.275 6.059 5.867 5.694 5.538 5.396 5.267 5.149 4.941 4.903 4.867 4.831 4.797 4.763 4.730 4.699 4.668 4.637 4.608 4.579 4.552 4.524 4.498 4.472 4.446 4.421 4.397 4.373 4.349 8.879 8.365 7.897 7.487 7.129 6.816 6.541 6.297 6.081 5.888 5.715 5.558 5.417 5.288 5.170 4.962 4.925 4.888 4.853 4.818 4.785 4.752 4.721 4.690 4.660 4.631 4.603 4.575 4.548 4.522 4.496 4.471 4.446 4.422 4.398 4.375 99999.999 8.384 7.919 7.510 7.152 6.838 6.562 6.318 6.102 5.908 5.734 5.578 5.436 5.307 5.189 4.982 4.944 4.908 4.872 4.838 4.805 4.772 4.741 4.710 4.681 4.652 4.624 4.596 4.569 4.543 4.518 4.493 4.468 4.444 4.421 4.398 huntite CaMg3(CO3)4 P-T:All Wt.(g/mol) = 353.050 V(cc/mol) = 122.900 D(g/cc) = 2.873 Ref: Shock07 4 1.000 9 3.000 10 4.000 5 -4.000 1 12.908 10.301 7.900 5.709 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.908 10.301 7.900 5.709 3.690 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.911 10.304 7.903 5.712 3.692 1.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.917 10.308 7.907 5.716 3.696 1.804 0.000 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.927 10.316 7.914 5.723 3.703 1.811 0.008 -1.744 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.942 10.329 7.926 5.734 3.713 1.822 0.020 -1.731 -3.465 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.966 10.348 7.943 5.750 3.730 1.839 0.038 -1.711 -3.442 -5.199 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.999 10.375 7.967 5.773 3.753 1.864 0.064 -1.682 -3.409 -5.159 -6.995 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.045 10.413 8.001 5.805 3.785 1.897 0.099 -1.643 -3.363 -5.105 -6.927 -8.911 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.106 10.462 8.046 5.848 3.828 1.940 0.146 -1.590 -3.304 -5.034 -6.837 -8.789 -10.995 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.184 10.527 8.104 5.903 3.882 1.997 0.207 -1.523 -3.227 -4.943 -6.722 -8.634 -10.775 -13.296 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.283 10.608 8.178 5.974 3.952 2.069 0.284 -1.438 -3.131 -4.829 -6.579 -8.443 -10.504 -12.906 -15.988 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.359 10.671 8.234 6.028 4.006 2.125 0.343 -1.374 -3.057 -4.742 -6.471 -8.300 -10.305 -12.616 -15.630 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.467 10.759 8.314 6.104 4.082 2.202 0.426 -1.282 -2.954 -4.621 -6.322 -8.104 -10.032 -12.220 -15.046 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.572 10.846 8.392 6.178 4.156 2.279 0.507 -1.194 -2.854 -4.504 -6.179 -7.918 -9.777 -11.852 -14.472 -12.957 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.674 10.931 8.469 6.252 4.229 2.354 0.587 -1.107 -2.757 -4.391 -6.041 -7.742 -9.537 -11.509 -13.934 -14.792 -14.595 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.775 11.014 8.545 6.324 4.300 2.427 0.665 -1.022 -2.662 -4.282 -5.909 -7.574 -9.312 -11.191 -13.437 -15.040 -15.355 -15.530 -15.870 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.873 11.096 8.619 6.395 4.371 2.499 0.741 -0.939 -2.569 -4.175 -5.782 -7.414 -9.102 -10.897 -12.982 -14.983 -15.464 -15.871 -16.230 -16.694 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.969 11.176 8.692 6.465 4.440 2.570 0.816 -0.858 -2.478 -4.072 -5.659 -7.262 -8.904 -10.626 -12.570 -14.834 -15.377 -15.884 -16.354 -16.816 -17.359 -18.132 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.064 11.255 8.764 6.533 4.508 2.640 0.889 -0.778 -2.390 -3.971 -5.540 -7.117 -8.719 -10.377 -12.199 -14.650 -15.220 -15.770 -16.299 -16.812 -17.334 -17.920 -18.648 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.156 11.332 8.834 6.600 4.574 2.708 0.961 -0.700 -2.304 -3.873 -5.426 -6.979 -8.545 -10.149 -11.867 -14.454 -15.033 -15.602 -16.159 -16.705 -17.247 -17.805 -18.411 -19.110 -19.941 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.247 11.408 8.903 6.667 4.640 2.775 1.032 -0.624 -2.220 -3.778 -5.316 -6.847 -8.382 -9.939 -11.571 -14.255 -14.836 -15.411 -15.981 -16.543 -17.101 -17.662 -18.238 -18.852 -19.526 -20.281 -21.124 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.335 11.483 8.971 6.732 4.704 2.841 1.101 -0.549 -2.137 -3.685 -5.209 -6.721 -8.229 -9.747 -11.308 -14.056 -14.635 -15.212 -15.785 -16.354 -16.920 -17.486 -18.057 -18.642 -19.253 -19.903 -20.601 -21.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.422 11.556 9.038 6.796 4.768 2.906 1.169 -0.476 -2.057 -3.594 -5.105 -6.600 -8.085 -9.570 -11.076 -13.861 -14.436 -15.009 -15.582 -16.152 -16.721 -17.289 -17.858 -18.433 -19.018 -19.621 -20.247 -20.901 -21.580 -22.278 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.508 11.628 9.104 6.859 4.831 2.970 1.236 -0.404 -1.978 -3.506 -5.005 -6.484 -7.950 -9.407 -10.870 -13.670 -14.239 -14.808 -15.377 -15.945 -16.513 -17.081 -17.648 -18.218 -18.792 -19.372 -19.963 -20.565 -21.180 -21.804 -22.431 99999.999 99999.999 99999.999 99999.999 99999.999 14.591 11.699 9.169 6.921 4.892 3.032 1.302 -0.333 -1.900 -3.420 -4.908 -6.373 -7.821 -9.257 -10.688 -13.484 -14.047 -14.610 -15.174 -15.738 -16.303 -16.867 -17.432 -17.997 -18.564 -19.133 -19.705 -20.281 -20.861 -21.442 -22.022 -22.593 -23.149 99999.999 99999.999 99999.999 14.673 11.768 9.233 6.982 4.953 3.094 1.366 -0.264 -1.824 -3.336 -4.813 -6.266 -7.699 -9.117 -10.523 -13.302 -13.859 -14.417 -14.975 -15.534 -16.093 -16.653 -17.214 -17.774 -18.335 -18.897 -19.458 -20.019 -20.580 -21.137 -21.689 -22.231 -22.758 -23.264 99999.999 99999.999 14.753 11.837 9.296 7.043 5.012 3.155 1.430 -0.196 -1.750 -3.253 -4.721 -6.162 -7.582 -8.984 -10.373 -13.126 -13.676 -14.227 -14.779 -15.332 -15.886 -16.441 -16.996 -17.552 -18.107 -18.662 -19.216 -19.768 -20.317 -20.861 -21.397 -21.923 -22.434 -22.925 -23.391 -23.826 14.832 11.904 9.358 7.102 5.071 3.215 1.492 -0.129 -1.677 -3.172 -4.630 -6.061 -7.469 -8.858 -10.232 -12.955 -13.498 -14.043 -14.588 -15.135 -15.682 -16.231 -16.781 -17.331 -17.881 -18.430 -18.978 -19.523 -20.064 -20.600 -21.127 -21.643 -22.146 -22.630 -23.092 -23.527 15.543 12.521 9.929 7.651 5.615 3.768 2.068 0.483 -1.015 -2.445 -3.824 -5.164 -6.471 -7.751 -9.007 -11.468 -11.955 -12.441 -12.927 -13.413 -13.899 -14.386 -14.873 -15.361 -15.850 -16.339 -16.828 -17.318 -17.807 -18.295 -18.781 -19.265 -19.745 -20.221 -20.692 -21.156 16.134 13.049 10.425 8.132 6.093 4.252 2.569 1.010 -0.449 -1.831 -3.151 -4.423 -5.655 -6.854 -8.022 -10.290 -10.735 -11.178 -11.620 -12.060 -12.499 -12.938 -13.375 -13.813 -14.251 -14.689 -15.127 -15.565 -16.004 -16.442 -16.882 -17.321 -17.760 -18.200 -18.638 -19.077 16.631 13.508 10.862 8.559 6.517 4.682 3.012 1.475 0.044 -1.300 -2.575 -3.794 -4.967 -6.101 -7.201 -9.320 -9.733 -10.143 -10.551 -10.956 -11.360 -11.762 -12.163 -12.562 -12.961 -13.359 -13.757 -14.155 -14.553 -14.951 -15.349 -15.748 -16.147 -16.546 -16.947 -17.347 17.052 13.908 11.250 8.940 6.899 5.069 3.410 1.889 0.482 -0.832 -2.071 -3.247 -4.372 -5.455 -6.499 -8.498 -8.885 -9.269 -9.651 -10.029 -10.405 -10.778 -11.150 -11.520 -11.889 -12.256 -12.623 -12.989 -13.354 -13.720 -14.085 -14.450 -14.816 -15.182 -15.548 -15.916 17.412 14.262 11.597 9.284 7.244 5.420 3.770 2.264 0.876 -0.415 -1.624 -2.765 -3.851 -4.890 -5.889 -7.788 -8.155 -8.518 -8.877 -9.233 -9.587 -9.937 -10.286 -10.632 -10.977 -11.320 -11.661 -12.002 -12.342 -12.681 -13.019 -13.358 -13.696 -14.035 -14.374 -14.713 17.722 14.578 11.910 9.597 7.559 5.741 4.100 2.605 1.233 -0.037 -1.222 -2.335 -3.388 -4.391 -5.352 -7.167 -7.516 -7.861 -8.202 -8.540 -8.875 -9.207 -9.536 -9.863 -10.188 -10.510 -10.832 -11.152 -11.470 -11.788 -12.106 -12.422 -12.739 -13.055 -13.372 -13.688 17.989 14.861 12.194 9.882 7.849 6.036 4.403 2.919 1.561 0.307 -0.857 -1.946 -2.972 -3.945 -4.872 -6.617 -6.951 -7.281 -7.607 -7.929 -8.248 -8.564 -8.877 -9.188 -9.496 -9.802 -10.107 -10.410 -10.711 -11.011 -11.311 -11.610 -11.908 -12.206 -12.504 -12.803 99999.999 15.118 12.454 10.144 8.115 6.308 4.683 3.210 1.863 0.624 -0.523 -1.592 -2.595 -3.542 -4.441 -6.125 -6.446 -6.763 -7.076 -7.385 -7.691 -7.993 -8.293 -8.589 -8.884 -9.176 -9.466 -9.755 -10.042 -10.328 -10.612 -10.897 -11.180 -11.463 -11.746 -12.029 litharge PbO P-T:All Wt.(g/mol) = 223.199 V(cc/mol) = 23.910 D(g/cc) = 9.335 Ref: Shock07 3 -2.000 1 1.000 17 1.000 2 13.634 12.591 11.700 10.935 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.634 12.591 11.700 10.935 10.270 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.635 12.592 11.701 10.935 10.270 9.686 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.636 12.593 11.702 10.936 10.271 9.687 9.167 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.637 12.594 11.703 10.937 10.272 9.688 9.169 8.701 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.640 12.597 11.705 10.940 10.275 9.690 9.171 8.703 8.276 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.644 12.601 11.709 10.943 10.278 9.694 9.174 8.706 8.280 7.884 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.650 12.606 11.714 10.948 10.282 9.698 9.178 8.711 8.284 7.890 7.517 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.658 12.613 11.721 10.954 10.289 9.704 9.184 8.717 8.291 7.897 7.525 7.165 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.669 12.623 11.730 10.963 10.297 9.712 9.193 8.725 8.299 7.906 7.535 7.178 6.825 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.683 12.636 11.742 10.974 10.308 9.723 9.203 8.736 8.310 7.918 7.549 7.194 6.846 6.501 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.701 12.652 11.757 10.988 10.321 9.736 9.216 8.749 8.325 7.933 7.566 7.215 6.871 6.529 6.204 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.714 12.665 11.769 10.999 10.332 9.746 9.227 8.760 8.335 7.945 7.579 7.231 6.891 6.553 6.199 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.734 12.683 11.785 11.015 10.347 9.761 9.241 8.775 8.351 7.961 7.597 7.252 6.919 6.587 6.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.753 12.700 11.802 11.031 10.362 9.776 9.256 8.789 8.366 7.977 7.615 7.273 6.945 6.622 6.274 7.156 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.771 12.717 11.818 11.046 10.377 9.790 9.270 8.803 8.380 7.992 7.632 7.294 6.970 6.655 6.320 6.445 6.702 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.790 12.734 11.834 11.061 10.391 9.804 9.284 8.817 8.395 8.008 7.649 7.313 6.994 6.686 6.365 6.277 6.337 6.479 6.679 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.808 12.751 11.850 11.076 10.405 9.818 9.297 8.831 8.409 8.022 7.665 7.332 7.017 6.715 6.408 6.210 6.206 6.242 6.323 6.439 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.825 12.768 11.865 11.091 10.419 9.832 9.311 8.845 8.423 8.037 7.681 7.350 7.039 6.743 6.447 6.180 6.147 6.136 6.153 6.199 6.266 6.331 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.843 12.784 11.880 11.105 10.433 9.845 9.324 8.858 8.436 8.051 7.697 7.367 7.059 6.768 6.484 6.166 6.117 6.083 6.066 6.070 6.093 6.129 6.167 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.860 12.800 11.896 11.119 10.447 9.858 9.337 8.871 8.450 8.065 7.712 7.384 7.078 6.792 6.516 6.162 6.103 6.055 6.019 5.997 5.991 5.998 6.014 6.033 6.045 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.877 12.816 11.911 11.134 10.461 9.872 9.350 8.884 8.463 8.079 7.726 7.400 7.097 6.814 6.545 6.164 6.099 6.042 5.994 5.956 5.930 5.915 5.911 5.914 5.920 5.923 5.919 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.894 12.832 11.925 11.148 10.474 9.885 9.363 8.897 8.476 8.093 7.740 7.415 7.114 6.834 6.571 6.169 6.100 6.037 5.981 5.933 5.894 5.864 5.843 5.831 5.824 5.820 5.817 5.810 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.910 12.847 11.940 11.162 10.487 9.898 9.376 8.910 8.489 8.106 7.754 7.430 7.130 6.853 6.594 6.177 6.104 6.037 5.976 5.921 5.873 5.832 5.800 5.774 5.756 5.742 5.732 5.723 5.714 5.704 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.926 12.863 11.954 11.175 10.501 9.910 9.388 8.922 8.502 8.119 7.768 7.445 7.146 6.870 6.614 6.186 6.111 6.041 5.976 5.916 5.862 5.814 5.772 5.737 5.708 5.685 5.666 5.651 5.639 5.627 5.617 99999.999 99999.999 99999.999 99999.999 99999.999 13.942 12.878 11.969 11.189 10.514 9.923 9.401 8.935 8.514 8.132 7.781 7.459 7.161 6.886 6.632 6.196 6.120 6.047 5.979 5.916 5.857 5.803 5.755 5.713 5.676 5.645 5.618 5.596 5.577 5.562 5.548 5.537 5.528 99999.999 99999.999 99999.999 13.958 12.893 11.983 11.202 10.527 9.935 9.413 8.947 8.527 8.145 7.795 7.472 7.175 6.901 6.648 6.208 6.130 6.056 5.985 5.919 5.857 5.799 5.746 5.698 5.655 5.617 5.584 5.555 5.530 5.509 5.491 5.476 5.464 5.455 99999.999 99999.999 13.973 12.908 11.997 11.216 10.539 9.948 9.425 8.959 8.539 8.157 7.807 7.486 7.189 6.915 6.663 6.219 6.141 6.065 5.993 5.925 5.860 5.799 5.743 5.690 5.642 5.599 5.560 5.525 5.494 5.467 5.444 5.425 5.408 5.395 5.386 5.380 13.989 12.922 12.011 11.229 10.552 9.960 9.437 8.971 8.551 8.169 7.820 7.499 7.203 6.929 6.677 6.232 6.152 6.076 6.002 5.932 5.866 5.802 5.743 5.687 5.635 5.587 5.544 5.504 5.468 5.436 5.408 5.383 5.362 5.345 5.331 5.321 14.131 13.061 12.143 11.355 10.672 10.076 9.551 9.083 8.664 8.284 7.938 7.620 7.327 7.057 6.807 6.359 6.277 6.197 6.120 6.044 5.971 5.900 5.830 5.763 5.697 5.634 5.572 5.512 5.454 5.398 5.343 5.291 5.241 5.192 5.146 5.102 14.257 13.186 12.264 11.470 10.783 10.184 9.655 9.186 8.766 8.387 8.042 7.727 7.437 7.170 6.922 6.479 6.397 6.318 6.240 6.165 6.091 6.020 5.949 5.881 5.814 5.749 5.685 5.622 5.561 5.500 5.442 5.384 5.327 5.272 5.218 5.165 14.371 13.303 12.377 11.579 10.888 10.284 9.753 9.281 8.860 8.481 8.137 7.823 7.536 7.271 7.026 6.587 6.506 6.428 6.351 6.276 6.204 6.133 6.063 5.995 5.929 5.864 5.800 5.738 5.677 5.617 5.558 5.500 5.443 5.387 5.331 5.277 14.475 13.411 12.483 11.681 10.986 10.379 9.845 9.371 8.948 8.569 8.225 7.912 7.626 7.362 7.119 6.685 6.605 6.527 6.452 6.378 6.306 6.236 6.168 6.101 6.035 5.971 5.909 5.847 5.787 5.728 5.669 5.612 5.556 5.501 5.446 5.392 14.570 13.514 12.584 11.779 11.080 10.470 9.932 9.456 9.032 8.651 8.307 7.995 7.709 7.447 7.206 6.774 6.695 6.619 6.544 6.471 6.400 6.331 6.263 6.197 6.132 6.069 6.008 5.947 5.888 5.829 5.772 5.716 5.661 5.606 5.553 5.500 14.660 13.611 12.681 11.873 11.171 10.557 10.016 9.538 9.112 8.730 8.385 8.072 7.787 7.526 7.286 6.857 6.779 6.703 6.629 6.556 6.486 6.417 6.351 6.285 6.222 6.159 6.098 6.039 5.980 5.923 5.867 5.811 5.757 5.704 5.651 5.599 14.743 13.705 12.774 11.963 11.258 10.641 10.098 9.617 9.189 8.805 8.459 8.146 7.861 7.600 7.361 6.934 6.856 6.781 6.707 6.636 6.566 6.498 6.432 6.367 6.304 6.242 6.182 6.123 6.065 6.009 5.953 5.899 5.845 5.793 5.741 5.690 99999.999 13.795 12.864 12.051 11.343 10.723 10.177 9.693 9.263 8.878 8.531 8.217 7.931 7.671 7.431 7.007 6.929 6.854 6.781 6.710 6.640 6.573 6.507 6.443 6.380 6.319 6.259 6.201 6.144 6.088 6.033 5.979 5.926 5.874 5.823 5.773 hydromagnesite Mg5(OH)2(CO3)4*4H2O P-T:All Wt.(g/mol) = 467.670 V(cc/mol) = 208.800 D(g/cc) = 2.240 Ref: Shock07 4 5.000 10 4.000 5 6.000 2 -6.000 1 35.573 30.854 26.725 23.113 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.573 30.854 26.725 23.113 19.913 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.576 30.857 26.728 23.115 19.915 17.034 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.582 30.861 26.732 23.119 19.919 17.038 14.396 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.592 30.870 26.739 23.126 19.926 17.045 14.404 11.935 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.608 30.883 26.751 23.137 19.937 17.057 14.417 11.949 9.595 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.632 30.902 26.769 23.154 19.954 17.074 14.435 11.970 9.619 7.319 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.666 30.930 26.794 23.178 19.978 17.099 14.462 11.999 9.653 7.360 5.040 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.712 30.969 26.829 23.211 20.011 17.133 14.498 12.040 9.700 7.416 5.111 2.686 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.774 31.020 26.875 23.255 20.054 17.178 14.546 12.093 9.761 7.490 5.205 2.815 0.207 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.853 31.085 26.934 23.312 20.110 17.236 14.608 12.162 9.840 7.584 5.325 2.978 0.437 -2.425 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 35.954 31.169 27.010 23.384 20.182 17.309 14.687 12.249 9.939 7.702 5.475 3.179 0.722 -2.034 -5.312 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.031 31.233 27.068 23.439 20.236 17.366 14.747 12.315 10.014 7.791 5.587 3.329 0.934 -1.734 -5.053 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.139 31.323 27.150 23.517 20.314 17.445 14.831 12.408 10.120 7.916 5.742 3.536 1.223 -1.319 -4.495 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.245 31.411 27.230 23.593 20.389 17.522 14.914 12.499 10.222 8.036 5.891 3.731 1.494 -0.927 -3.903 1.331 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.349 31.498 27.308 23.668 20.463 17.598 14.995 12.587 10.322 8.152 6.033 3.917 1.749 -0.560 -3.330 -2.845 -1.585 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.450 31.582 27.385 23.741 20.536 17.673 15.073 12.673 10.419 8.265 6.170 4.093 1.988 -0.219 -2.793 -3.682 -3.577 -3.053 -2.399 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.548 31.665 27.461 23.813 20.607 17.746 15.151 12.757 10.513 8.374 6.302 4.260 2.212 0.096 -2.300 -3.903 -4.168 -4.231 -4.077 -3.863 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.645 31.746 27.535 23.884 20.677 17.817 15.226 12.839 10.605 8.480 6.428 4.419 2.420 0.385 -1.852 -3.918 -4.340 -4.653 -4.834 -4.897 -4.937 -5.151 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.739 31.826 27.607 23.953 20.746 17.887 15.300 12.920 10.694 8.582 6.550 4.569 2.615 0.651 -1.449 -3.845 -4.344 -4.778 -5.132 -5.400 -5.600 -5.793 -6.086 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.831 31.904 27.679 24.021 20.813 17.956 15.373 12.998 10.782 8.682 6.667 4.712 2.797 0.893 -1.090 -3.727 -4.269 -4.769 -5.216 -5.604 -5.934 -6.224 -6.513 -6.861 -7.328 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 36.921 31.981 27.749 24.088 20.879 18.024 15.444 13.075 10.867 8.779 6.780 4.848 2.966 1.114 -0.773 -3.586 -4.153 -4.689 -5.190 -5.649 -6.065 -6.441 -6.791 -7.140 -7.523 -7.972 -8.508 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.010 32.056 27.818 24.154 20.944 18.090 15.513 13.150 10.950 8.873 6.889 4.978 3.125 1.314 -0.495 -3.433 -4.013 -4.572 -5.104 -5.607 -6.077 -6.514 -6.923 -7.312 -7.698 -8.101 -8.537 -9.018 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.096 32.130 27.885 24.219 21.008 18.155 15.582 13.224 11.031 8.964 6.994 5.101 3.272 1.497 -0.252 -3.273 -3.862 -4.433 -4.984 -5.513 -6.018 -6.497 -6.950 -7.380 -7.795 -8.203 -8.615 -9.040 -9.482 -9.937 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 37.181 32.202 27.952 24.282 21.071 18.219 15.649 13.296 11.111 9.054 7.096 5.219 3.411 1.663 -0.040 -3.111 -3.703 -4.281 -4.844 -5.390 -5.916 -6.422 -6.907 -7.371 -7.815 -8.245 -8.665 -9.080 -9.493 -9.905 -10.312 99999.999 99999.999 99999.999 99999.999 99999.999 37.263 32.274 28.017 24.345 21.133 18.282 15.714 13.367 11.189 9.141 7.195 5.332 3.542 1.816 0.146 -2.948 -3.542 -4.123 -4.693 -5.248 -5.789 -6.312 -6.819 -7.307 -7.777 -8.229 -8.667 -9.091 -9.503 -9.905 -10.293 -10.664 -11.011 99999.999 99999.999 99999.999 37.345 32.343 28.082 24.407 21.193 18.344 15.779 13.436 11.265 9.226 7.290 5.441 3.665 1.957 0.310 -2.786 -3.379 -3.962 -4.535 -5.096 -5.645 -6.180 -6.701 -7.206 -7.695 -8.168 -8.624 -9.063 -9.487 -9.894 -10.284 -10.652 -10.996 -11.309 99999.999 99999.999 37.424 32.412 28.145 24.467 21.253 18.404 15.842 13.504 11.339 9.309 7.383 5.545 3.783 2.089 0.459 -2.626 -3.218 -3.800 -4.373 -4.937 -5.491 -6.033 -6.563 -7.080 -7.584 -8.072 -8.544 -9.000 -9.438 -9.858 -10.258 -10.636 -10.988 -11.311 -11.600 -11.848 37.502 32.480 28.207 24.527 21.312 18.464 15.905 13.571 11.412 9.390 7.474 5.647 3.897 2.216 0.598 -2.469 -3.057 -3.638 -4.211 -4.775 -5.331 -5.877 -6.413 -6.938 -7.451 -7.951 -8.436 -8.906 -9.358 -9.793 -10.207 -10.599 -10.966 -11.305 -11.612 -11.883 38.196 33.093 28.778 25.076 21.854 19.014 16.475 14.178 12.071 10.116 8.282 6.547 4.897 3.320 1.809 -1.050 -1.600 -2.144 -2.683 -3.217 -3.747 -4.272 -4.793 -5.310 -5.823 -6.332 -6.837 -7.337 -7.832 -8.322 -8.804 -9.280 -9.747 -10.205 -10.654 -11.090 38.764 33.615 29.272 25.554 22.327 19.491 16.968 14.697 12.628 10.723 8.950 7.284 5.710 4.215 2.789 0.107 -0.406 -0.913 -1.415 -1.911 -2.402 -2.889 -3.372 -3.852 -4.328 -4.802 -5.273 -5.741 -6.207 -6.671 -7.132 -7.592 -8.048 -8.503 -8.955 -9.404 39.234 34.065 29.705 25.976 22.746 19.914 17.402 15.151 13.111 11.243 9.517 7.906 6.393 4.963 3.604 1.068 0.585 0.109 -0.361 -0.826 -1.284 -1.738 -2.188 -2.634 -3.076 -3.515 -3.952 -4.386 -4.818 -5.248 -5.676 -6.103 -6.529 -6.954 -7.378 -7.802 39.625 34.456 30.088 26.354 23.122 20.293 17.791 15.554 13.537 11.699 10.009 8.443 6.978 5.601 4.299 1.883 1.425 0.974 0.530 0.092 -0.340 -0.767 -1.189 -1.607 -2.020 -2.431 -2.838 -3.242 -3.644 -4.044 -4.442 -4.839 -5.234 -5.629 -6.023 -6.417 39.954 34.801 30.432 26.695 23.463 20.638 18.143 15.919 13.919 12.104 10.444 8.913 7.489 6.156 4.901 2.585 2.148 1.718 1.296 0.880 0.470 0.066 -0.333 -0.728 -1.118 -1.504 -1.887 -2.266 -2.643 -3.018 -3.390 -3.761 -4.130 -4.498 -4.866 -5.233 40.232 35.109 30.743 27.006 23.776 20.954 18.465 16.252 14.266 12.470 10.834 9.331 7.941 6.645 5.430 3.198 2.779 2.368 1.963 1.566 1.175 0.789 0.410 0.035 -0.336 -0.702 -1.064 -1.423 -1.779 -2.133 -2.484 -2.833 -3.180 -3.526 -3.871 -4.216 40.469 35.387 31.027 27.292 24.064 21.246 18.763 16.558 14.584 12.804 11.187 9.708 8.345 7.080 5.899 3.740 3.336 2.940 2.551 2.170 1.794 1.425 1.062 0.703 0.350 0.000 -0.345 -0.687 -1.025 -1.361 -1.695 -2.026 -2.355 -2.683 -3.009 -3.334 99999.999 35.641 31.289 27.557 24.332 21.518 19.041 16.843 14.879 13.112 11.512 10.052 8.711 7.472 6.320 4.224 3.833 3.450 3.074 2.706 2.345 1.989 1.639 1.295 0.955 0.620 0.289 -0.038 -0.362 -0.683 -1.001 -1.317 -1.631 -1.944 -2.255 -2.565 malachite Cu2(OH)2(CO3) P-T:All Wt.(g/mol) = 221.120 V(cc/mol) = 54.860 D(g/cc) = 4.031 Ref: Shock07 6 -0.750 1 -0.250 6 2.000 16 1.000 5 1.000 2 0.250 4 2.992 2.978 2.947 2.911 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.992 2.978 2.947 2.911 2.869 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.993 2.979 2.948 2.912 2.870 2.820 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.994 2.980 2.949 2.913 2.871 2.821 2.759 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 2.997 2.983 2.951 2.914 2.873 2.823 2.761 2.683 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.002 2.986 2.954 2.917 2.875 2.826 2.764 2.686 2.587 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.008 2.991 2.959 2.921 2.880 2.830 2.768 2.691 2.593 2.465 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.018 2.999 2.965 2.928 2.885 2.836 2.775 2.698 2.600 2.474 2.307 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.031 3.009 2.974 2.936 2.893 2.844 2.783 2.707 2.611 2.487 2.323 2.098 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.048 3.023 2.986 2.947 2.904 2.855 2.794 2.719 2.624 2.503 2.343 2.127 1.821 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.070 3.040 3.002 2.961 2.918 2.868 2.809 2.735 2.642 2.524 2.370 2.163 1.876 1.444 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.098 3.063 3.021 2.979 2.935 2.886 2.827 2.755 2.664 2.550 2.402 2.207 1.941 1.554 0.861 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.119 3.080 3.036 2.993 2.949 2.899 2.841 2.770 2.681 2.570 2.427 2.240 1.989 1.631 1.024 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.149 3.104 3.057 3.013 2.968 2.918 2.861 2.791 2.704 2.597 2.461 2.285 2.052 1.730 1.211 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.178 3.127 3.078 3.032 2.986 2.937 2.880 2.811 2.727 2.623 2.493 2.327 2.111 1.819 1.367 -0.077 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.207 3.150 3.098 3.050 3.004 2.955 2.898 2.831 2.749 2.649 2.524 2.367 2.166 1.900 1.502 0.782 0.261 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.235 3.172 3.117 3.069 3.022 2.972 2.916 2.850 2.771 2.673 2.553 2.404 2.217 1.974 1.622 1.044 0.761 0.349 -0.304 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.261 3.194 3.136 3.086 3.039 2.989 2.934 2.869 2.792 2.697 2.582 2.440 2.265 2.041 1.728 1.210 1.001 0.735 0.381 -0.113 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.288 3.215 3.155 3.104 3.056 3.006 2.952 2.888 2.812 2.720 2.609 2.474 2.309 2.103 1.823 1.338 1.165 0.959 0.708 0.392 -0.016 -0.535 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.313 3.235 3.173 3.121 3.072 3.023 2.968 2.906 2.832 2.742 2.635 2.506 2.350 2.159 1.908 1.444 1.293 1.121 0.920 0.681 0.393 0.040 -0.386 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.338 3.256 3.191 3.137 3.088 3.039 2.985 2.924 2.851 2.764 2.660 2.537 2.389 2.211 1.984 1.535 1.400 1.250 1.079 0.883 0.656 0.389 0.076 -0.288 -0.703 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.363 3.275 3.209 3.154 3.104 3.054 3.001 2.941 2.870 2.785 2.685 2.566 2.426 2.259 2.052 1.616 1.493 1.358 1.207 1.039 0.848 0.631 0.384 0.101 -0.218 -0.573 -0.956 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.386 3.295 3.226 3.170 3.119 3.070 3.017 2.958 2.888 2.806 2.708 2.594 2.460 2.302 2.112 1.689 1.576 1.452 1.317 1.167 1.001 0.816 0.609 0.377 0.119 -0.165 -0.474 -0.804 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.409 3.313 3.243 3.185 3.134 3.085 3.033 2.974 2.906 2.826 2.731 2.621 2.492 2.343 2.166 1.755 1.650 1.536 1.412 1.277 1.129 0.966 0.786 0.589 0.372 0.134 -0.122 -0.397 -0.685 -0.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.432 3.332 3.259 3.201 3.149 3.100 3.048 2.990 2.923 2.845 2.753 2.646 2.523 2.380 2.214 1.817 1.718 1.612 1.497 1.373 1.238 1.092 0.933 0.759 0.571 0.367 0.147 -0.087 -0.333 -0.588 -0.850 99999.999 99999.999 99999.999 99999.999 99999.999 3.454 3.350 3.275 3.216 3.164 3.114 3.063 3.006 2.940 2.864 2.774 2.671 2.551 2.415 2.257 1.874 1.781 1.681 1.574 1.459 1.335 1.202 1.058 0.902 0.735 0.555 0.363 0.159 -0.055 -0.278 -0.507 -0.739 -0.972 99999.999 99999.999 99999.999 3.475 3.368 3.291 3.231 3.178 3.128 3.077 3.021 2.957 2.882 2.795 2.694 2.579 2.447 2.297 1.928 1.840 1.745 1.645 1.538 1.422 1.299 1.167 1.026 0.874 0.713 0.541 0.360 0.170 -0.028 -0.231 -0.438 -0.646 -0.853 99999.999 99999.999 3.496 3.385 3.306 3.245 3.192 3.142 3.092 3.036 2.973 2.900 2.815 2.717 2.605 2.478 2.333 1.978 1.894 1.805 1.710 1.609 1.502 1.387 1.265 1.134 0.996 0.849 0.693 0.530 0.358 0.181 -0.002 -0.189 -0.377 -0.566 -0.752 -0.934 3.516 3.402 3.322 3.259 3.206 3.156 3.106 3.051 2.989 2.917 2.835 2.739 2.630 2.507 2.367 2.026 1.946 1.861 1.771 1.676 1.574 1.467 1.353 1.232 1.103 0.968 0.825 0.676 0.520 0.358 0.191 0.021 -0.151 -0.324 -0.495 -0.664 3.694 3.552 3.457 3.387 3.330 3.280 3.232 3.183 3.131 3.072 3.006 2.931 2.847 2.753 2.648 2.403 2.347 2.289 2.229 2.166 2.100 2.032 1.961 1.887 1.810 1.730 1.647 1.562 1.473 1.383 1.289 1.194 1.097 0.998 0.897 0.796 3.833 3.674 3.570 3.494 3.434 3.384 3.338 3.294 3.248 3.199 3.145 3.085 3.018 2.943 2.861 2.671 2.629 2.585 2.540 2.493 2.444 2.393 2.341 2.287 2.231 2.173 2.114 2.052 1.989 1.924 1.858 1.789 1.719 1.648 1.575 1.501 3.941 3.773 3.663 3.584 3.523 3.472 3.429 3.388 3.348 3.306 3.261 3.212 3.157 3.097 3.031 2.880 2.847 2.812 2.777 2.740 2.701 2.662 2.621 2.579 2.535 2.490 2.444 2.396 2.347 2.297 2.245 2.192 2.138 2.082 2.025 1.967 4.024 3.854 3.742 3.661 3.599 3.549 3.507 3.469 3.433 3.397 3.359 3.319 3.275 3.226 3.173 3.051 3.024 2.996 2.967 2.937 2.906 2.874 2.841 2.807 2.772 2.736 2.699 2.660 2.621 2.580 2.538 2.495 2.451 2.406 2.359 2.312 4.088 3.920 3.808 3.726 3.665 3.616 3.575 3.540 3.508 3.476 3.445 3.411 3.375 3.336 3.292 3.193 3.171 3.148 3.125 3.100 3.075 3.049 3.022 2.994 2.965 2.935 2.905 2.873 2.840 2.807 2.772 2.736 2.699 2.662 2.623 2.583 4.134 3.974 3.863 3.783 3.722 3.675 3.636 3.603 3.573 3.546 3.519 3.491 3.462 3.430 3.395 3.315 3.297 3.278 3.259 3.239 3.218 3.196 3.174 3.151 3.127 3.102 3.076 3.050 3.022 2.994 2.964 2.934 2.903 2.871 2.838 2.804 4.167 4.018 3.911 3.832 3.773 3.726 3.689 3.658 3.632 3.608 3.585 3.562 3.539 3.513 3.485 3.420 3.405 3.390 3.374 3.358 3.340 3.322 3.304 3.284 3.264 3.243 3.222 3.199 3.176 3.152 3.127 3.101 3.074 3.046 3.018 2.988 99999.999 4.054 3.951 3.874 3.817 3.772 3.737 3.708 3.684 3.663 3.644 3.625 3.606 3.586 3.564 3.512 3.500 3.488 3.475 3.461 3.447 3.432 3.417 3.400 3.383 3.366 3.347 3.328 3.308 3.287 3.266 3.243 3.220 3.196 3.171 3.145 malachite Cu2(OH)2(CO3) P-T:All Wt.(g/mol) = 221.120 V(cc/mol) = 54.860 D(g/cc) = 4.031 Ref: Shock07 5 -1.000 1 0.500 31 2.000 16 1.000 5 1.000 2 -35.033 -31.601 -28.662 -26.117 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -35.033 -31.601 -28.662 -26.117 -23.893 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -35.032 -31.601 -28.662 -26.117 -23.893 -21.934 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -35.032 -31.600 -28.662 -26.117 -23.892 -21.934 -20.201 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -35.030 -31.599 -28.661 -26.116 -23.892 -21.933 -20.200 -18.661 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-11.119 -10.547 -10.017 -9.523 -9.061 -8.544 -8.456 -8.368 -8.283 -8.199 -8.116 -8.035 -7.955 -7.877 -7.800 -7.725 -7.650 -7.577 -7.505 -7.435 -7.365 -7.297 -7.230 -7.164 -7.100 -7.036 mercury Hg P-T:All Wt.(g/mol) = 200.590 V(cc/mol) = 14.822 D(g/cc) = 13.533 Ref: Shock07 4 1.000 20 1.000 2 -0.500 31 -2.000 1 15.892 14.150 12.656 11.364 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.892 14.150 12.656 11.364 10.236 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.892 14.151 12.657 11.365 10.237 9.241 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.894 14.153 12.658 11.366 10.238 9.242 8.353 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.896 14.155 12.660 11.368 10.240 9.244 8.355 7.552 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.900 14.159 12.664 11.372 10.243 9.247 8.358 7.555 6.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.906 14.164 12.669 11.377 10.248 9.252 8.363 7.560 6.828 6.150 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.914 14.172 12.676 11.384 10.255 9.259 8.369 7.567 6.835 6.158 5.521 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.925 14.183 12.687 11.394 10.265 9.268 8.379 7.576 6.845 6.168 5.533 4.922 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.940 14.197 12.701 11.407 10.277 9.281 8.391 7.589 6.858 6.182 5.548 4.941 4.344 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.960 14.216 12.719 11.424 10.294 9.297 8.407 7.605 6.874 6.200 5.568 4.965 4.375 3.783 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 15.985 14.240 12.742 11.446 10.315 9.318 8.428 7.626 6.896 6.223 5.594 4.995 4.413 3.830 3.228 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.004 14.259 12.759 11.463 10.332 9.333 8.444 7.642 6.912 6.240 5.613 5.018 4.442 3.867 3.255 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.031 14.285 12.785 11.487 10.355 9.356 8.466 7.664 6.935 6.265 5.640 5.050 4.481 3.919 3.318 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.058 14.311 12.809 11.511 10.378 9.378 8.488 7.687 6.958 6.289 5.667 5.080 4.519 3.968 3.386 3.263 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.085 14.337 12.834 11.535 10.401 9.401 8.510 7.709 6.980 6.312 5.692 5.110 4.555 4.015 3.453 2.762 2.777 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.111 14.363 12.858 11.558 10.423 9.422 8.531 7.730 7.002 6.335 5.717 5.138 4.590 4.060 3.517 2.660 2.535 2.467 2.424 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.137 14.388 12.882 11.581 10.445 9.444 8.553 7.751 7.024 6.358 5.741 5.166 4.622 4.101 3.577 2.633 2.462 2.321 2.213 2.120 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.162 14.413 12.906 11.604 10.467 9.465 8.574 7.772 7.045 6.380 5.765 5.192 4.654 4.140 3.632 2.632 2.441 2.268 2.118 1.987 1.866 1.731 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.188 14.437 12.930 11.626 10.489 9.486 8.594 7.793 7.066 6.402 5.788 5.218 4.683 4.177 3.682 2.642 2.440 2.252 2.079 1.922 1.778 1.642 1.499 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.213 14.462 12.953 11.649 10.510 9.507 8.615 7.814 7.087 6.423 5.811 5.243 4.712 4.211 3.728 2.658 2.450 2.254 2.068 1.895 1.734 1.583 1.437 1.289 1.132 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.237 14.486 12.976 11.671 10.531 9.528 8.635 7.834 7.108 6.444 5.833 5.267 4.738 4.243 3.769 2.677 2.466 2.264 2.071 1.888 1.715 1.552 1.397 1.246 1.096 0.943 0.783 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.262 14.510 12.999 11.693 10.552 9.548 8.655 7.854 7.128 6.465 5.855 5.290 4.764 4.272 3.807 2.698 2.485 2.279 2.082 1.893 1.712 1.541 1.377 1.220 1.067 0.917 0.766 0.614 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.286 14.533 13.022 11.714 10.573 9.568 8.675 7.873 7.147 6.485 5.876 5.312 4.789 4.300 3.840 2.720 2.505 2.297 2.097 1.904 1.719 1.541 1.371 1.207 1.050 0.897 0.748 0.600 0.453 0.308 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 16.309 14.557 13.044 11.736 10.594 9.588 8.695 7.893 7.167 6.505 5.896 5.334 4.812 4.326 3.870 2.742 2.527 2.318 2.115 1.920 1.731 1.549 1.374 1.206 1.043 0.887 0.735 0.587 0.443 0.301 0.162 99999.999 99999.999 99999.999 99999.999 99999.999 16.333 14.580 13.066 11.757 10.614 9.608 8.714 7.912 7.186 6.525 5.917 5.355 4.835 4.350 3.897 2.765 2.549 2.339 2.135 1.938 1.747 1.562 1.384 1.211 1.045 0.885 0.730 0.580 0.434 0.293 0.156 0.023 -0.106 99999.999 99999.999 99999.999 16.356 14.603 13.088 11.778 10.635 9.628 8.733 7.931 7.206 6.544 5.937 5.376 4.856 4.373 3.922 2.788 2.572 2.361 2.156 1.958 1.765 1.578 1.397 1.222 1.053 0.890 0.731 0.579 0.431 0.288 0.150 0.016 -0.112 -0.235 99999.999 99999.999 16.379 14.626 13.110 11.799 10.655 9.647 8.752 7.950 7.224 6.563 5.957 5.397 4.878 4.395 3.945 2.811 2.594 2.383 2.178 1.979 1.785 1.597 1.414 1.237 1.065 0.899 0.738 0.583 0.432 0.287 0.147 0.012 -0.118 -0.242 -0.360 -0.472 16.402 14.648 13.132 11.820 10.675 9.667 8.771 7.969 7.243 6.582 5.976 5.417 4.898 4.417 3.968 2.834 2.617 2.406 2.200 2.000 1.806 1.617 1.433 1.254 1.081 0.912 0.749 0.591 0.439 0.291 0.149 0.011 -0.121 -0.247 -0.368 -0.483 16.619 14.863 13.339 12.018 10.865 9.851 8.951 8.145 7.419 6.760 6.157 5.602 5.089 4.614 4.171 3.048 2.832 2.622 2.418 2.218 2.023 1.833 1.647 1.465 1.288 1.114 0.945 0.779 0.616 0.458 0.303 0.152 0.004 -0.140 -0.280 -0.417 16.817 15.063 13.532 12.203 11.043 10.022 9.117 8.308 7.580 6.921 6.319 5.767 5.258 4.786 4.348 3.235 3.022 2.814 2.612 2.414 2.222 2.034 1.850 1.670 1.494 1.323 1.154 0.990 0.829 0.670 0.516 0.364 0.215 0.069 -0.074 -0.215 17.002 15.251 13.715 12.378 11.211 10.183 9.273 8.461 7.730 7.070 6.468 5.917 5.410 4.941 4.507 3.402 3.190 2.984 2.784 2.588 2.398 2.211 2.030 1.852 1.679 1.509 1.343 1.181 1.022 0.866 0.713 0.563 0.416 0.271 0.129 -0.010 17.175 15.429 13.888 12.545 11.370 10.337 9.422 8.605 7.872 7.209 6.607 6.056 5.550 5.083 4.651 3.552 3.342 3.137 2.938 2.744 2.555 2.371 2.191 2.015 1.843 1.676 1.512 1.351 1.194 1.040 0.889 0.741 0.596 0.454 0.314 0.177 17.339 15.600 14.055 12.705 11.524 10.484 9.564 8.743 8.006 7.341 6.737 6.186 5.681 5.215 4.784 3.689 3.480 3.277 3.079 2.886 2.698 2.515 2.336 2.162 1.992 1.826 1.663 1.504 1.349 1.196 1.047 0.901 0.758 0.617 0.480 0.344 17.496 15.764 14.215 12.859 11.672 10.627 9.700 8.875 8.135 7.467 6.861 6.309 5.804 5.338 4.908 3.816 3.608 3.405 3.208 3.016 2.829 2.647 2.470 2.296 2.127 1.962 1.801 1.643 1.489 1.338 1.190 1.046 0.904 0.765 0.629 0.495 17.647 15.923 14.371 13.009 11.815 10.764 9.833 9.003 8.259 7.588 6.981 6.427 5.921 5.455 5.025 3.935 3.727 3.525 3.329 3.138 2.951 2.770 2.593 2.421 2.252 2.088 1.928 1.771 1.618 1.468 1.321 1.178 1.037 0.899 0.764 0.631 99999.999 16.078 14.522 13.155 11.955 10.898 9.962 9.127 8.379 7.706 7.095 6.540 6.032 5.566 5.136 4.047 3.840 3.638 3.442 3.251 3.065 2.884 2.708 2.536 2.369 2.205 2.045 1.889 1.737 1.588 1.442 1.299 1.159 1.022 0.888 0.756 molybdenite MoS2 P-T:All Wt.(g/mol) = 160.072 V(cc/mol) = 32.020 D(g/cc) = 4.999 Ref: Shock07 5 -3.000 2 -0.250 4 1.000 29 2.250 6 3.750 1 -66.480 -61.154 -56.873 -53.385 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -66.480 -61.154 -56.873 -53.385 -50.523 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -66.479 -61.153 -56.873 -53.385 -50.522 -48.167 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -66.478 -61.153 -56.872 -53.384 -50.521 -48.166 -46.234 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -66.477 -61.152 -56.871 -53.383 -50.520 -48.164 -46.232 -44.660 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -66.475 -61.150 -56.869 -53.381 -50.517 -48.161 -46.228 -44.655 -43.401 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -66.472 -61.147 -56.866 -53.377 -50.513 -48.156 -46.222 -44.648 -43.391 -42.428 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -66.468 -61.143 -56.862 -53.373 -50.508 -48.150 -46.213 -44.637 -43.378 -42.410 -41.732 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -66.462 -61.138 -56.857 -53.367 -50.500 -48.140 -46.202 -44.622 -43.359 -42.385 -41.697 -41.319 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -66.455 -61.132 -56.850 -53.358 -50.490 -48.128 -46.186 -44.603 -43.334 -42.352 -41.651 -41.251 -41.216 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -66.445 -61.123 -56.840 -53.348 -50.478 -48.112 -46.167 -44.578 -43.302 -42.309 -41.593 -41.166 -41.081 -41.492 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -66.433 -61.112 -56.829 -53.334 -50.461 -48.092 -46.142 -44.546 -43.261 -42.257 -41.521 -41.062 -40.920 -41.208 -42.426 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -66.424 -61.104 -56.820 -53.324 -50.449 -48.077 -46.122 -44.522 -43.231 -42.217 -41.467 -40.986 -40.804 -41.014 -41.976 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -66.411 -61.092 -56.807 -53.309 -50.431 -48.055 -46.096 -44.489 -43.188 -42.162 -41.394 -40.882 -40.649 -40.764 -41.484 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -66.399 -61.080 -56.794 -53.294 -50.413 -48.034 -46.069 -44.456 -43.147 -42.109 -41.323 -40.784 -40.506 -40.541 -41.082 -44.715 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -66.388 -61.069 -56.782 -53.280 -50.396 -48.013 -46.043 -44.424 -43.107 -42.058 -41.256 -40.692 -40.374 -40.340 -40.738 -42.031 -43.452 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -66.377 -61.058 -56.770 -53.266 -50.379 -47.992 -46.018 -44.393 -43.068 -42.009 -41.192 -40.606 -40.252 -40.157 -40.436 -41.217 -41.896 -42.971 -44.719 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -66.366 -61.048 -56.758 -53.252 -50.363 -47.972 -45.994 -44.362 -43.030 -41.961 -41.130 -40.523 -40.137 -39.991 -40.169 -40.713 -41.159 -41.785 -42.681 -43.970 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -66.356 -61.037 -56.746 -53.238 -50.346 -47.952 -45.969 -44.333 -42.993 -41.915 -41.071 -40.445 -40.031 -39.838 -39.931 -40.337 -40.666 -41.104 -41.688 -42.470 -43.511 -44.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -66.347 -61.027 -56.735 -53.225 -50.330 -47.933 -45.946 -44.304 -42.957 -41.870 -41.014 -40.371 -39.931 -39.699 -39.719 -40.031 -40.288 -40.621 -41.050 -41.599 -42.300 -43.183 -44.267 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -66.338 -61.017 -56.724 -53.211 -50.314 -47.914 -45.922 -44.275 -42.922 -41.827 -40.960 -40.301 -39.838 -39.571 -39.529 -39.770 -39.977 -40.243 -40.578 -40.996 -41.515 -42.152 -42.925 -43.839 -44.887 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -66.329 -61.008 -56.713 -53.198 -50.299 -47.895 -45.900 -44.247 -42.888 -41.785 -40.907 -40.234 -39.751 -39.453 -39.359 -39.542 -39.711 -39.928 -40.200 -40.534 -40.942 -41.433 -42.019 -42.708 -43.500 -44.387 -45.352 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -66.321 -60.999 -56.702 -53.186 -50.283 -47.877 -45.877 -44.220 -42.855 -41.744 -40.856 -40.170 -39.669 -39.345 -39.207 -39.338 -39.477 -39.657 -39.883 -40.158 -40.491 -40.886 -41.353 -41.896 -42.517 -43.216 -43.984 -44.809 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -66.313 -60.990 -56.691 -53.173 -50.268 -47.858 -45.855 -44.193 -42.822 -41.704 -40.807 -40.109 -39.592 -39.245 -39.071 -39.152 -39.268 -39.419 -39.608 -39.840 -40.117 -40.446 -40.830 -41.273 -41.778 -42.344 -42.969 -43.645 -44.362 -45.107 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -66.306 -60.981 -56.681 -53.160 -50.253 -47.840 -45.834 -44.167 -42.790 -41.665 -40.760 -40.050 -39.519 -39.152 -38.948 -38.982 -39.077 -39.204 -39.365 -39.562 -39.798 -40.077 -40.401 -40.772 -41.193 -41.665 -42.184 -42.749 -43.351 -43.983 -44.633 99999.999 99999.999 99999.999 99999.999 99999.999 -66.299 -60.972 -56.671 -53.148 -50.239 -47.823 -45.812 -44.141 -42.759 -41.627 -40.714 -39.994 -39.449 -39.066 -38.838 -38.824 -38.902 -39.009 -39.146 -39.315 -39.518 -39.758 -40.036 -40.353 -40.712 -41.113 -41.554 -42.034 -42.548 -43.089 -43.652 -44.227 -44.806 99999.999 99999.999 99999.999 -66.293 -60.964 -56.661 -53.136 -50.224 -47.805 -45.791 -44.116 -42.729 -41.590 -40.669 -39.940 -39.384 -38.985 -38.737 -38.677 -38.740 -38.829 -38.946 -39.092 -39.269 -39.477 -39.718 -39.994 -40.304 -40.651 -41.032 -41.446 -41.890 -42.361 -42.852 -43.358 -43.872 -44.386 99999.999 99999.999 -66.287 -60.956 -56.651 -53.124 -50.210 -47.788 -45.771 -44.091 -42.699 -41.554 -40.626 -39.888 -39.321 -38.909 -38.644 -38.539 -38.588 -38.663 -38.762 -38.889 -39.042 -39.225 -39.436 -39.678 -39.950 -40.254 -40.587 -40.950 -41.339 -41.753 -42.186 -42.635 -43.093 -43.556 -44.017 -44.471 -66.281 -60.948 -56.641 -53.113 -50.196 -47.771 -45.751 -44.067 -42.670 -41.519 -40.583 -39.837 -39.260 -38.836 -38.556 -38.409 -38.446 -38.507 -38.592 -38.701 -38.836 -38.996 -39.183 -39.396 -39.637 -39.906 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-43.335 -41.811 -40.515 -39.412 -38.475 -37.684 -37.018 -36.463 -35.637 -35.512 -35.398 -35.297 -35.206 -35.126 -35.057 -34.998 -34.948 -34.908 -34.877 -34.855 -34.841 -34.836 -34.838 -34.849 -34.867 -34.892 -34.925 -34.964 -35.010 -66.364 -60.786 -56.338 -52.698 -49.678 -47.148 -45.012 -43.200 -41.656 -40.337 -39.210 -38.247 -37.427 -36.730 -36.142 -35.243 -35.102 -34.972 -34.854 -34.747 -34.650 -34.563 -34.485 -34.417 -34.358 -34.308 -34.266 -34.232 -34.206 -34.188 -34.177 -34.173 -34.177 -34.187 -34.203 -34.227 -66.436 -60.792 -56.309 -52.646 -49.606 -47.058 -44.906 -43.077 -41.515 -40.177 -39.029 -38.044 -37.199 -36.477 -35.861 -34.902 -34.748 -34.605 -34.474 -34.353 -34.242 -34.141 -34.049 -33.967 -33.893 -33.827 -33.770 -33.721 -33.679 -33.645 -33.618 -33.598 -33.584 -33.578 -33.577 -33.583 -66.520 -60.805 -56.288 -52.601 -49.542 -46.977 -44.809 -42.964 -41.386 -40.032 -38.866 -37.861 -36.996 -36.251 -35.611 -34.602 -34.437 -34.284 -34.142 -34.010 -33.887 -33.775 -33.672 -33.577 -33.491 -33.414 -33.344 -33.283 -33.228 -33.181 -33.141 -33.108 -33.082 -33.062 -33.049 -33.041 99999.999 -60.826 -56.273 -52.563 -49.485 -46.903 -44.720 -42.860 -41.268 -39.898 -38.717 -37.695 -36.812 -36.047 -35.388 -34.335 -34.161 -33.999 -33.847 -33.706 -33.574 -33.452 -33.339 -33.235 -33.140 -33.052 -32.972 -32.900 -32.836 -32.779 -32.728 -32.685 -32.648 -32.618 -32.593 -32.575 molybdenite MoS2 P-T:All Wt.(g/mol) = 160.072 V(cc/mol) = 32.020 D(g/cc) = 4.999 Ref: Shock07 5 -3.000 2 -4.500 31 1.000 29 2.000 4 6.000 1 275.743 250.059 227.615 207.870 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 275.743 250.059 227.615 207.870 190.337 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 275.747 250.063 227.619 207.874 190.341 174.623 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 275.754 250.070 227.626 207.881 190.347 174.630 160.408 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 275.767 250.083 227.638 207.892 190.359 174.641 160.420 147.437 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 275.788 250.102 227.656 207.910 190.377 174.660 160.440 147.458 135.495 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 275.819 250.131 227.684 207.938 190.404 174.687 160.468 147.488 135.529 124.396 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 275.863 250.173 227.724 207.977 190.443 174.727 160.509 147.532 135.578 124.452 113.961 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 275.923 250.231 227.780 208.031 190.496 174.781 160.566 147.592 135.644 124.528 114.055 104.013 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 276.005 250.308 227.854 208.103 190.568 174.853 160.641 147.672 135.732 124.629 114.179 104.178 94.354 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 276.111 250.408 227.950 208.197 190.661 174.947 160.738 147.776 135.845 124.759 114.337 104.386 94.662 84.695 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 276.247 250.537 228.074 208.317 190.780 175.068 160.863 147.908 135.990 124.923 114.534 104.642 95.029 85.328 74.277 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 276.352 250.637 228.169 208.410 190.872 175.161 160.959 148.009 136.100 125.048 114.682 104.832 95.295 85.757 75.338 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 276.502 250.779 228.306 208.543 191.004 175.293 161.095 148.153 136.256 125.223 114.889 105.092 95.652 86.306 76.435 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 276.652 250.920 228.441 208.675 191.134 175.424 161.229 148.294 136.408 125.393 115.088 105.340 95.984 86.796 77.301 51.303 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 276.800 251.061 228.575 208.805 191.263 175.554 161.362 148.433 136.558 125.560 115.281 105.577 96.294 87.239 78.032 58.812 52.177 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 276.947 251.200 228.709 208.935 191.390 175.682 161.493 148.571 136.705 125.722 115.468 105.803 96.585 87.644 78.669 61.036 56.457 50.914 43.853 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 277.093 251.338 228.841 209.063 191.517 175.809 161.623 148.706 136.850 125.881 115.649 106.020 96.859 88.016 79.233 62.352 58.426 54.102 49.161 43.365 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 277.239 251.476 228.973 209.191 191.643 175.934 161.751 148.839 136.992 126.036 115.826 106.228 97.119 88.360 79.738 63.306 59.700 55.889 51.776 47.239 42.165 36.518 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 277.383 251.613 229.104 209.318 191.767 176.059 161.878 148.971 137.132 126.189 115.997 106.429 97.365 88.680 80.194 64.066 60.653 57.124 53.425 49.494 45.260 40.667 35.704 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 277.527 251.749 229.234 209.443 191.891 176.182 162.004 149.101 137.270 126.338 116.164 106.622 97.598 88.978 80.606 64.704 61.423 58.072 54.621 51.032 47.262 43.272 39.033 34.547 29.849 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 277.670 251.884 229.363 209.568 192.013 176.305 162.128 149.230 137.405 126.485 116.327 106.809 97.821 89.255 80.980 65.259 62.073 58.847 55.561 52.190 48.706 45.083 41.298 37.338 33.210 28.941 24.578 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 277.811 252.018 229.491 209.692 192.135 176.426 162.251 149.357 137.539 126.629 116.486 106.989 98.033 89.516 81.322 65.751 62.639 59.507 56.339 53.119 49.827 46.446 42.958 39.351 35.621 31.777 27.841 23.847 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 277.952 252.151 229.618 209.815 192.256 176.546 162.373 149.482 137.671 126.770 116.641 107.164 98.236 89.760 81.634 66.197 63.144 60.084 57.006 53.897 50.744 47.532 44.251 40.888 37.439 33.905 30.294 26.627 22.927 19.225 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 278.093 252.284 229.745 209.938 192.376 176.666 162.493 149.607 137.801 126.910 116.793 107.334 98.431 89.991 81.921 66.605 63.601 60.599 57.592 54.568 51.519 48.434 45.303 42.117 38.872 35.566 32.201 28.789 25.345 21.887 18.440 99999.999 99999.999 99999.999 99999.999 99999.999 278.232 252.416 229.871 210.059 192.495 176.784 162.613 149.729 137.930 127.047 116.942 107.499 98.618 90.210 82.186 66.983 64.019 61.066 58.116 55.161 52.193 49.205 46.188 43.136 40.044 36.909 33.732 30.519 27.279 24.024 20.771 17.536 14.339 99999.999 99999.999 99999.999 278.371 252.547 229.996 210.180 192.613 176.901 162.731 149.851 138.057 127.181 117.088 107.660 98.799 90.418 82.433 67.335 64.406 61.493 58.591 55.692 52.791 49.879 46.952 44.004 41.030 38.028 34.997 31.940 28.863 25.774 22.683 19.605 16.553 13.540 99999.999 99999.999 278.508 252.677 230.120 210.300 192.731 177.018 162.849 149.971 138.182 127.314 117.231 107.817 98.975 90.618 82.665 67.665 64.767 61.889 59.027 56.175 53.328 50.480 47.625 44.760 41.880 38.983 36.068 33.135 30.190 27.235 24.281 21.335 18.409 15.514 12.661 9.860 278.646 252.807 230.244 210.420 192.847 177.134 162.965 150.090 138.306 127.445 117.372 107.971 99.145 90.810 82.887 67.978 65.105 62.258 59.431 56.619 53.818 51.022 48.227 45.430 42.626 39.814 36.992 34.161 31.322 28.479 25.638 22.804 19.988 17.196 14.439 11.725 279.979 254.069 231.447 211.578 193.976 178.248 164.081 151.224 139.475 128.669 118.671 109.369 100.670 92.493 84.771 70.448 67.734 65.063 62.432 59.839 57.280 54.753 52.256 49.788 47.346 44.928 42.533 40.160 37.808 35.476 33.164 30.872 28.600 26.349 24.119 21.911 281.252 255.276 232.595 212.681 195.046 179.299 165.124 152.273 140.544 129.772 119.822 110.584 101.964 93.885 86.281 72.270 69.633 67.045 64.503 62.005 59.549 57.132 54.753 52.410 50.100 47.824 45.578 43.361 41.173 39.013 36.879 34.771 32.687 30.628 28.592 26.581 282.477 256.436 233.698 213.738 196.069 180.298 166.111 153.258 141.538 130.786 120.869 111.674 103.108 95.095 87.569 73.756 71.167 68.629 66.140 63.698 61.300 58.946 56.632 54.358 52.120 49.919 47.752 45.617 43.514 41.442 39.399 37.384 35.396 33.435 31.499 29.588 283.665 257.559 234.764 214.757 197.053 181.257 167.053 154.193 142.475 131.735 121.838 112.672 104.145 96.179 88.708 75.032 72.475 69.971 67.517 65.112 62.754 60.440 58.168 55.938 53.746 51.592 49.475 47.391 45.341 43.323 41.336 39.378 37.449 35.548 33.673 31.824 284.822 258.651 235.798 215.745 198.004 182.180 167.958 155.087 143.366 132.630 122.746 113.600 105.100 97.168 89.737 76.162 73.628 71.148 68.720 66.341 64.010 61.725 59.483 57.283 55.123 53.002 50.918 48.870 46.856 44.875 42.925 41.006 39.117 37.255 35.422 33.615 285.955 259.717 236.805 216.705 198.927 183.075 168.832 155.947 144.219 133.483 123.605 114.472 105.992 98.084 90.684 77.184 74.667 72.205 69.795 67.436 65.125 62.861 60.641 58.464 56.327 54.230 52.170 50.147 48.159 46.204 44.282 42.391 40.529 38.697 36.892 35.115 287.067 260.762 237.789 217.641 199.826 183.944 169.678 156.778 145.041 134.301 124.425 115.300 106.832 98.943 91.564 78.121 75.617 73.169 70.774 68.430 66.134 63.886 61.682 59.522 57.403 55.323 53.282 51.278 49.309 47.374 45.472 43.601 41.761 39.949 38.166 36.410 99999.999 261.790 238.754 218.556 200.703 184.791 170.502 157.584 145.835 135.089 125.211 116.090 107.630 99.753 92.391 78.992 76.498 74.060 71.676 69.343 67.060 64.823 62.632 60.485 58.379 56.314 54.287 52.297 50.343 48.423 46.536 44.681 42.856 41.060 39.294 37.554 nesquehonite MgCO3*3H2O P-T:All Wt.(g/mol) = 138.360 V(cc/mol) = 74.790 D(g/cc) = 1.850 Ref: Shock07 4 1.000 10 1.000 5 3.000 2 -1.000 1 6.416 4.996 4.848 4.777 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.416 4.996 4.848 4.777 4.710 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.417 4.996 4.848 4.778 4.710 4.639 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.418 4.997 4.849 4.778 4.711 4.640 4.559 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.420 4.998 4.850 4.780 4.712 4.641 4.560 4.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.422 5.000 4.852 4.781 4.714 4.643 4.562 4.467 4.350 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.426 5.003 4.854 4.784 4.716 4.645 4.565 4.470 4.354 4.209 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.432 5.008 4.858 4.788 4.720 4.649 4.569 4.475 4.360 4.216 4.031 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.440 5.014 4.864 4.793 4.725 4.654 4.575 4.481 4.367 4.226 4.044 3.804 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.451 5.022 4.871 4.799 4.731 4.661 4.583 4.490 4.378 4.239 4.061 3.829 3.519 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.464 5.033 4.880 4.808 4.740 4.670 4.592 4.501 4.391 4.255 4.083 3.860 3.565 3.167 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.481 5.046 4.892 4.819 4.751 4.681 4.604 4.515 4.407 4.275 4.110 3.898 3.622 3.250 2.713 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.494 5.057 4.901 4.827 4.759 4.690 4.614 4.525 4.419 4.290 4.130 3.926 3.663 3.312 2.781 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.513 5.071 4.913 4.839 4.771 4.702 4.627 4.540 4.436 4.311 4.157 3.965 3.720 3.398 2.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.531 5.085 4.926 4.850 4.782 4.713 4.639 4.554 4.453 4.332 4.184 4.001 3.773 3.477 3.033 4.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.548 5.099 4.938 4.862 4.793 4.725 4.651 4.568 4.469 4.351 4.209 4.035 3.822 3.551 3.154 3.459 3.670 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.565 5.112 4.949 4.873 4.804 4.736 4.663 4.581 4.485 4.370 4.232 4.067 3.867 3.618 3.265 3.333 3.366 3.456 3.530 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.582 5.125 4.961 4.883 4.814 4.747 4.675 4.594 4.500 4.388 4.255 4.097 3.909 3.681 3.366 3.308 3.283 3.286 3.313 3.328 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.598 5.138 4.972 4.894 4.824 4.757 4.686 4.607 4.514 4.405 4.277 4.126 3.949 3.737 3.457 3.316 3.267 3.231 3.212 3.202 3.180 3.108 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.613 5.151 4.983 4.904 4.835 4.768 4.697 4.619 4.528 4.422 4.297 4.153 3.985 3.789 3.539 3.337 3.276 3.223 3.178 3.142 3.109 3.065 2.990 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.629 5.163 4.994 4.914 4.844 4.778 4.708 4.631 4.542 4.438 4.317 4.178 4.018 3.835 3.610 3.364 3.298 3.235 3.177 3.125 3.076 3.028 2.970 2.893 2.784 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.644 5.175 5.005 4.924 4.854 4.788 4.719 4.643 4.555 4.454 4.336 4.202 4.049 3.877 3.673 3.394 3.325 3.258 3.193 3.131 3.071 3.014 2.955 2.889 2.810 2.711 2.591 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.659 5.187 5.015 4.934 4.864 4.797 4.729 4.654 4.568 4.469 4.354 4.224 4.078 3.914 3.727 3.426 3.355 3.285 3.216 3.149 3.083 3.018 2.954 2.888 2.817 2.737 2.646 2.543 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.673 5.198 5.025 4.943 4.873 4.807 4.739 4.665 4.581 4.484 4.372 4.245 4.104 3.948 3.774 3.458 3.387 3.316 3.244 3.174 3.104 3.035 2.966 2.897 2.827 2.753 2.674 2.588 2.496 2.399 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 6.687 5.209 5.035 4.953 4.882 4.816 4.749 4.676 4.593 4.498 4.389 4.265 4.128 3.979 3.815 3.490 3.419 3.347 3.275 3.203 3.131 3.059 2.987 2.915 2.843 2.770 2.694 2.616 2.536 2.452 2.368 99999.999 99999.999 99999.999 99999.999 99999.999 6.701 5.220 5.045 4.962 4.891 4.825 4.758 4.686 4.605 4.512 4.405 4.284 4.151 4.006 3.849 3.521 3.451 3.379 3.307 3.234 3.160 3.087 3.013 2.939 2.865 2.791 2.716 2.641 2.564 2.487 2.411 2.336 2.264 99999.999 99999.999 99999.999 6.714 5.231 5.054 4.971 4.899 4.834 4.768 4.697 4.617 4.525 4.420 4.303 4.173 4.031 3.879 3.552 3.482 3.411 3.339 3.266 3.192 3.118 3.043 2.967 2.892 2.816 2.741 2.666 2.590 2.516 2.443 2.371 2.303 2.240 99999.999 99999.999 6.727 5.242 5.064 4.979 4.908 4.843 4.777 4.707 4.628 4.538 4.435 4.320 4.193 4.054 3.906 3.582 3.513 3.443 3.371 3.298 3.225 3.150 3.074 2.998 2.922 2.845 2.769 2.693 2.618 2.543 2.471 2.400 2.333 2.270 2.213 2.163 6.740 5.252 5.073 4.988 4.916 4.851 4.786 4.717 4.639 4.551 4.450 4.337 4.212 4.076 3.931 3.612 3.544 3.474 3.403 3.331 3.257 3.183 3.107 3.031 2.954 2.877 2.800 2.723 2.647 2.572 2.498 2.427 2.360 2.296 2.237 2.184 6.852 5.346 5.157 5.067 4.993 4.928 4.867 4.804 4.737 4.662 4.577 4.483 4.378 4.264 4.141 3.870 3.811 3.751 3.689 3.626 3.561 3.495 3.427 3.357 3.286 3.214 3.140 3.065 2.989 2.912 2.835 2.757 2.679 2.601 2.524 2.447 6.943 5.424 5.228 5.134 5.059 4.994 4.935 4.877 4.817 4.751 4.678 4.598 4.509 4.411 4.306 4.071 4.020 3.968 3.915 3.860 3.804 3.746 3.687 3.627 3.564 3.501 3.436 3.369 3.301 3.232 3.161 3.089 3.016 2.941 2.866 2.789 7.017 5.491 5.291 5.193 5.116 5.051 4.994 4.939 4.884 4.825 4.762 4.692 4.615 4.530 4.438 4.233 4.189 4.143 4.097 4.048 3.999 3.948 3.896 3.843 3.788 3.732 3.675 3.616 3.556 3.494 3.431 3.366 3.300 3.233 3.164 3.093 7.077 5.549 5.345 5.246 5.167 5.103 5.046 4.994 4.942 4.889 4.833 4.771 4.703 4.629 4.548 4.368 4.328 4.288 4.246 4.204 4.160 4.115 4.068 4.021 3.972 3.922 3.871 3.818 3.764 3.709 3.652 3.594 3.535 3.474 3.411 3.347 7.127 5.600 5.395 5.293 5.214 5.149 5.093 5.043 4.994 4.945 4.894 4.839 4.779 4.713 4.642 4.481 4.446 4.409 4.372 4.334 4.295 4.254 4.213 4.170 4.126 4.081 4.035 3.987 3.938 3.888 3.837 3.784 3.730 3.675 3.618 3.559 7.169 5.646 5.440 5.337 5.257 5.192 5.136 5.087 5.041 4.995 4.948 4.898 4.844 4.786 4.722 4.578 4.546 4.513 4.480 4.445 4.410 4.373 4.335 4.296 4.256 4.215 4.173 4.130 4.085 4.040 3.992 3.944 3.895 3.844 3.791 3.738 7.204 5.688 5.481 5.378 5.297 5.232 5.177 5.128 5.083 5.040 4.996 4.951 4.902 4.850 4.792 4.662 4.633 4.604 4.573 4.542 4.509 4.476 4.441 4.405 4.369 4.331 4.292 4.252 4.211 4.169 4.126 4.081 4.035 3.988 3.939 3.890 99999.999 5.728 5.521 5.416 5.335 5.270 5.215 5.167 5.123 5.082 5.041 4.999 4.954 4.906 4.854 4.736 4.710 4.683 4.655 4.626 4.596 4.565 4.533 4.501 4.467 4.432 4.396 4.359 4.321 4.281 4.241 4.199 4.156 4.112 4.066 4.020 palladium Pd P-T:All Wt.(g/mol) = 106.400 V(cc/mol) = 8.861 D(g/cc) = 12.008 Ref: Shock07 5 -0.250 4 -2.250 1 1.000 39 0.250 6 1.000 2 -24.347 -22.510 -20.935 -19.567 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -24.347 -22.510 -20.935 -19.567 -18.367 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -24.346 -22.510 -20.935 -19.566 -18.367 -17.308 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -24.346 -22.510 -20.934 -19.566 -18.366 -17.307 -16.366 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -24.345 -22.509 -20.934 -19.565 -18.366 -17.307 -16.366 -15.527 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -24.344 -22.508 -20.933 -19.564 -18.365 -17.305 -16.365 -15.525 -14.774 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -24.343 -22.507 -20.931 -19.563 -18.363 -17.304 -16.363 -15.523 -14.772 -14.098 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -24.341 -22.505 -20.929 -19.561 -18.361 -17.302 -16.360 -15.521 -14.769 -14.094 -13.491 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -24.338 -22.502 -20.926 -19.558 -18.358 -17.298 -16.357 -15.517 -14.765 -14.090 -13.486 -12.947 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -24.334 -22.498 -20.922 -19.554 -18.354 -17.294 -16.353 -15.512 -14.759 -14.084 -13.478 -12.938 -12.451 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -24.329 -22.493 -20.917 -19.549 -18.349 -17.289 -16.347 -15.506 -14.752 -14.076 -13.469 -12.926 -12.438 -11.972 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -24.323 -22.486 -20.911 -19.543 -18.343 -17.282 -16.340 -15.498 -14.744 -14.066 -13.457 -12.911 -12.421 -11.967 -11.431 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -24.319 -22.482 -20.906 -19.538 -18.338 -17.277 -16.335 -15.492 -14.737 -14.058 -13.448 -12.900 -12.407 -11.956 -11.512 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -24.312 -22.475 -20.899 -19.531 -18.331 -17.270 -16.327 -15.484 -14.728 -14.048 -13.435 -12.883 -12.386 -11.935 -11.534 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -24.307 -22.469 -20.893 -19.525 -18.324 -17.263 -16.320 -15.476 -14.719 -14.038 -13.423 -12.868 -12.366 -11.910 -11.517 -7.391 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -24.301 -22.463 -20.887 -19.518 -18.318 -17.257 -16.312 -15.468 -14.711 -14.028 -13.411 -12.853 -12.346 -11.885 -11.487 -9.287 -8.216 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -24.296 -22.457 -20.881 -19.512 -18.312 -17.250 -16.305 -15.461 -14.702 -14.018 -13.400 -12.839 -12.327 -11.860 -11.452 -9.754 -9.207 -8.438 -7.429 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -24.291 -22.451 -20.875 -19.506 -18.306 -17.244 -16.299 -15.453 -14.694 -14.009 -13.389 -12.825 -12.310 -11.836 -11.417 -9.968 -9.588 -9.109 -8.498 -7.755 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -24.286 -22.446 -20.869 -19.501 -18.300 -17.238 -16.292 -15.446 -14.686 -14.000 -13.379 -12.813 -12.293 -11.814 -11.383 -10.091 -9.786 -9.430 -9.002 -8.491 -7.898 -7.260 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -24.282 -22.441 -20.864 -19.495 -18.294 -17.232 -16.286 -15.439 -14.679 -13.992 -13.369 -12.800 -12.278 -11.794 -11.352 -10.169 -9.907 -9.613 -9.279 -8.892 -8.449 -7.953 -7.424 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -24.278 -22.436 -20.859 -19.489 -18.288 -17.226 -16.280 -15.433 -14.671 -13.983 -13.359 -12.789 -12.264 -11.776 -11.324 -10.222 -9.986 -9.730 -9.448 -9.134 -8.781 -8.388 -7.959 -7.506 -7.046 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -24.274 -22.431 -20.854 -19.484 -18.283 -17.220 -16.274 -15.426 -14.664 -13.975 -13.350 -12.778 -12.251 -11.759 -11.301 -10.259 -10.041 -9.809 -9.561 -9.290 -8.994 -8.669 -8.315 -7.935 -7.537 -7.131 -6.729 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -24.270 -22.426 -20.849 -19.479 -18.278 -17.215 -16.268 -15.420 -14.657 -13.967 -13.341 -12.768 -12.239 -11.745 -11.281 -10.285 -10.079 -9.865 -9.639 -9.398 -9.139 -8.860 -8.558 -8.235 -7.893 -7.536 -7.172 -6.807 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -24.267 -22.422 -20.844 -19.474 -18.272 -17.209 -16.262 -15.413 -14.650 -13.960 -13.332 -12.758 -12.228 -11.732 -11.264 -10.304 -10.108 -9.905 -9.695 -9.475 -9.242 -8.994 -8.730 -8.448 -8.150 -7.838 -7.514 -7.183 -6.849 -6.516 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -24.263 -22.418 -20.839 -19.469 -18.267 -17.204 -16.256 -15.407 -14.643 -13.952 -13.324 -12.749 -12.218 -11.721 -11.251 -10.317 -10.128 -9.935 -9.737 -9.531 -9.317 -9.091 -8.854 -8.604 -8.340 -8.062 -7.774 -7.476 -7.172 -6.864 -6.554 99999.999 99999.999 99999.999 99999.999 99999.999 -24.261 -22.414 -20.835 -19.465 -18.263 -17.199 -16.251 -15.401 -14.637 -13.945 -13.316 -12.741 -12.209 -11.711 -11.241 -10.326 -10.143 -9.957 -9.768 -9.573 -9.372 -9.164 -8.946 -8.719 -8.481 -8.232 -7.973 -7.704 -7.428 -7.146 -6.859 -6.570 -6.279 99999.999 99999.999 99999.999 -24.258 -22.410 -20.830 -19.460 -18.258 -17.194 -16.246 -15.396 -14.630 -13.938 -13.309 -12.732 -12.200 -11.703 -11.232 -10.332 -10.153 -9.973 -9.791 -9.605 -9.415 -9.219 -9.016 -8.807 -8.588 -8.362 -8.126 -7.882 -7.631 -7.372 -7.109 -6.841 -6.570 -6.296 99999.999 99999.999 -24.255 -22.406 -20.826 -19.456 -18.253 -17.189 -16.240 -15.390 -14.624 -13.931 -13.301 -12.724 -12.192 -11.695 -11.225 -10.335 -10.160 -9.985 -9.808 -9.629 -9.447 -9.261 -9.070 -8.874 -8.671 -8.462 -8.245 -8.022 -7.791 -7.554 -7.312 -7.064 -6.813 -6.557 -6.299 -6.038 -24.253 -22.402 -20.822 -19.451 -18.249 -17.184 -16.235 -15.385 -14.618 -13.925 -13.294 -12.717 -12.184 -11.687 -11.219 -10.337 -10.165 -9.993 -9.821 -9.647 -9.472 -9.293 -9.112 -8.926 -8.736 -8.540 -8.339 -8.132 -7.919 -7.700 -7.476 -7.247 -7.014 -6.777 -6.536 -6.292 -24.240 -22.374 -20.788 -19.414 -18.210 -17.143 -16.191 -15.337 -14.566 -13.867 -13.230 -12.647 -12.111 -11.615 -11.151 -10.304 -10.145 -9.989 -9.835 -9.684 -9.535 -9.388 -9.243 -9.099 -8.957 -8.816 -8.676 -8.536 -8.397 -8.259 -8.120 -7.982 -7.844 -7.705 -7.566 -7.426 -24.243 -22.358 -20.764 -19.387 -18.179 -17.110 -16.156 -15.298 -14.523 -13.820 -13.179 -12.591 -12.051 -11.551 -11.086 -10.244 -10.087 -9.935 -9.785 -9.639 -9.495 -9.355 -9.218 -9.083 -8.950 -8.821 -8.693 -8.568 -8.444 -8.323 -8.204 -8.086 -7.971 -7.857 -7.744 -7.634 -24.257 -22.351 -20.748 -19.366 -18.155 -17.084 -16.127 -15.267 -14.489 -13.782 -13.137 -12.545 -12.000 -11.496 -11.028 -10.184 -10.027 -9.875 -9.726 -9.580 -9.438 -9.299 -9.164 -9.031 -8.901 -8.774 -8.650 -8.528 -8.409 -8.293 -8.179 -8.067 -7.957 -7.850 -7.745 -7.642 -24.282 -22.351 -20.739 -19.351 -18.137 -17.063 -16.104 -15.242 -14.461 -13.751 -13.102 -12.506 -11.957 -11.450 -10.978 -10.128 -9.971 -9.818 -9.669 -9.523 -9.381 -9.242 -9.106 -8.973 -8.844 -8.717 -8.594 -8.473 -8.354 -8.239 -8.126 -8.015 -7.907 -7.802 -7.699 -7.598 -24.314 -22.357 -20.734 -19.341 -18.123 -17.047 -16.085 -15.221 -14.438 -13.725 -13.073 -12.474 -11.921 -11.410 -10.935 -10.079 -9.921 -9.767 -9.617 -9.470 -9.327 -9.188 -9.051 -8.918 -8.788 -8.661 -8.537 -8.415 -8.297 -8.181 -8.068 -7.957 -7.849 -7.744 -7.640 -7.540 -24.352 -22.368 -20.733 -19.334 -18.113 -17.033 -16.070 -15.203 -14.418 -13.703 -13.048 -12.446 -11.891 -11.376 -10.898 -10.036 -9.877 -9.722 -9.571 -9.423 -9.279 -9.139 -9.001 -8.867 -8.736 -8.608 -8.483 -8.361 -8.242 -8.125 -8.012 -7.900 -7.792 -7.685 -7.581 -7.480 -24.395 -22.383 -20.736 -19.330 -18.105 -17.023 -16.057 -15.189 -14.402 -13.684 -13.027 -12.423 -11.865 -11.347 -10.866 -9.999 -9.838 -9.682 -9.530 -9.381 -9.236 -9.095 -8.956 -8.821 -8.690 -8.561 -8.435 -8.312 -8.192 -8.074 -7.960 -7.847 -7.738 -7.631 -7.526 -7.424 99999.999 -22.400 -20.742 -19.329 -18.100 -17.015 -16.047 -15.176 -14.387 -13.668 -13.009 -12.403 -11.842 -11.322 -10.839 -9.966 -9.804 -9.647 -9.494 -9.344 -9.198 -9.056 -8.916 -8.780 -8.648 -8.518 -8.391 -8.267 -8.146 -8.028 -7.912 -7.799 -7.689 -7.581 -7.475 -7.372 palladium Pd P-T:All Wt.(g/mol) = 106.400 V(cc/mol) = 8.861 D(g/cc) = 12.008 Ref: Shock07 4 -0.500 31 -2.000 1 1.000 39 1.000 2 13.678 12.069 10.675 9.462 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.678 12.069 10.675 9.462 8.395 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.679 12.069 10.675 9.462 8.396 7.447 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.680 12.070 10.677 9.463 8.397 7.448 6.594 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.682 12.072 10.678 9.465 8.398 7.450 6.596 5.818 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.685 12.075 10.681 9.468 8.401 7.452 6.598 5.821 5.104 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.690 12.080 10.686 9.472 8.405 7.457 6.603 5.825 5.108 4.438 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.696 12.086 10.692 9.478 8.411 7.462 6.609 5.831 5.115 4.446 3.808 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.705 12.095 10.700 9.486 8.419 7.471 6.617 5.840 5.125 4.456 3.820 3.201 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.717 12.107 10.712 9.497 8.430 7.481 6.628 5.852 5.137 4.470 3.836 3.221 2.612 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.733 12.122 10.726 9.512 8.444 7.495 6.642 5.867 5.153 4.487 3.857 3.246 2.644 2.049 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.752 12.141 10.745 9.530 8.462 7.513 6.661 5.886 5.173 4.510 3.883 3.278 2.685 2.092 1.536 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.768 12.156 10.759 9.544 8.476 7.527 6.674 5.900 5.188 4.527 3.902 3.302 2.716 2.129 1.523 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.789 12.177 10.780 9.564 8.495 7.546 6.694 5.920 5.210 4.550 3.930 3.336 2.759 2.184 1.568 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.810 12.198 10.800 9.583 8.514 7.565 6.714 5.941 5.231 4.574 3.956 3.368 2.800 2.238 1.636 3.278 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.831 12.218 10.820 9.602 8.533 7.584 6.733 5.960 5.252 4.596 3.982 3.399 2.839 2.291 1.710 1.917 2.409 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.851 12.238 10.839 9.621 8.552 7.603 6.751 5.980 5.273 4.618 4.007 3.429 2.877 2.340 1.782 1.608 1.721 1.993 2.412 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.871 12.258 10.858 9.640 8.570 7.621 6.770 5.999 5.293 4.640 4.031 3.457 2.912 2.387 1.850 1.484 1.477 1.545 1.706 1.949 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.891 12.278 10.877 9.658 8.588 7.639 6.788 6.017 5.312 4.661 4.054 3.485 2.946 2.430 1.914 1.425 1.365 1.347 1.382 1.477 1.621 1.781 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.910 12.297 10.896 9.676 8.606 7.656 6.806 6.036 5.331 4.682 4.077 3.511 2.977 2.470 1.972 1.397 1.309 1.247 1.219 1.229 1.280 1.364 1.461 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.930 12.316 10.914 9.694 8.623 7.674 6.823 6.054 5.350 4.702 4.099 3.536 3.007 2.507 2.024 1.386 1.281 1.194 1.129 1.092 1.083 1.104 1.148 1.204 1.258 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.948 12.335 10.933 9.712 8.641 7.691 6.841 6.071 5.369 4.721 4.121 3.560 3.035 2.542 2.070 1.386 1.269 1.166 1.079 1.012 0.966 0.943 0.942 0.959 0.986 1.016 1.041 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.967 12.353 10.951 9.730 8.658 7.708 6.858 6.089 5.387 4.741 4.141 3.583 3.061 2.573 2.111 1.392 1.267 1.153 1.052 0.966 0.896 0.844 0.809 0.792 0.789 0.796 0.808 0.821 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.985 12.372 10.968 9.747 8.675 7.725 6.875 6.106 5.405 4.760 4.162 3.605 3.086 2.602 2.147 1.402 1.272 1.150 1.040 0.940 0.854 0.781 0.724 0.681 0.652 0.635 0.627 0.625 0.628 0.632 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.003 12.390 10.986 9.764 8.691 7.741 6.891 6.123 5.422 4.778 4.182 3.627 3.110 2.628 2.179 1.415 1.281 1.154 1.036 0.928 0.830 0.743 0.669 0.606 0.557 0.519 0.491 0.473 0.461 0.455 0.454 99999.999 99999.999 99999.999 99999.999 99999.999 14.021 12.407 11.003 9.781 8.708 7.758 6.907 6.140 5.440 4.796 4.201 3.648 3.132 2.653 2.206 1.430 1.293 1.162 1.039 0.924 0.818 0.721 0.634 0.558 0.492 0.437 0.392 0.357 0.330 0.311 0.299 0.292 0.292 99999.999 99999.999 99999.999 14.038 12.425 11.020 9.797 8.724 7.774 6.924 6.156 5.457 4.814 4.220 3.668 3.154 2.675 2.231 1.447 1.307 1.174 1.047 0.927 0.814 0.710 0.614 0.527 0.449 0.380 0.322 0.272 0.231 0.198 0.173 0.155 0.144 0.140 99999.999 99999.999 14.055 12.442 11.037 9.814 8.740 7.790 6.940 6.172 5.474 4.832 4.238 3.687 3.175 2.697 2.253 1.465 1.323 1.188 1.058 0.934 0.817 0.706 0.603 0.508 0.421 0.342 0.272 0.210 0.156 0.111 0.074 0.044 0.021 0.006 -0.002 -0.001 14.072 12.459 11.054 9.830 8.756 7.805 6.955 6.188 5.490 4.849 4.257 3.707 3.195 2.718 2.275 1.484 1.341 1.203 1.071 0.944 0.823 0.709 0.600 0.499 0.404 0.317 0.238 0.166 0.102 0.046 -0.003 -0.044 -0.078 -0.105 -0.123 -0.135 14.229 12.620 11.212 9.984 8.906 7.953 7.103 6.338 5.643 5.008 4.423 3.882 3.378 2.909 2.471 1.678 1.532 1.389 1.249 1.113 0.981 0.852 0.726 0.603 0.483 0.367 0.254 0.144 0.037 -0.066 -0.167 -0.263 -0.357 -0.446 -0.533 -0.615 14.368 12.766 11.355 10.124 9.043 8.087 7.236 6.471 5.779 5.148 4.569 4.033 3.537 3.075 2.643 1.860 1.715 1.573 1.435 1.299 1.167 1.037 0.910 0.786 0.664 0.545 0.428 0.313 0.201 0.090 -0.018 -0.125 -0.229 -0.332 -0.432 -0.531 14.492 12.898 11.487 10.253 9.169 8.211 7.358 6.593 5.902 5.273 4.698 4.167 3.677 3.220 2.795 2.023 1.880 1.740 1.603 1.470 1.339 1.211 1.086 0.963 0.843 0.725 0.609 0.495 0.383 0.273 0.164 0.057 -0.048 -0.151 -0.254 -0.355 14.604 13.021 11.610 10.373 9.286 8.326 7.471 6.706 6.015 5.388 4.815 4.288 3.802 3.350 2.929 2.168 2.027 1.889 1.755 1.623 1.495 1.369 1.246 1.125 1.007 0.890 0.776 0.664 0.554 0.446 0.339 0.234 0.130 0.028 -0.072 -0.172 14.707 13.136 11.726 10.486 9.397 8.434 7.578 6.811 6.120 5.494 4.922 4.398 3.915 3.467 3.051 2.299 2.160 2.024 1.891 1.762 1.635 1.511 1.390 1.271 1.154 1.040 0.928 0.818 0.710 0.604 0.499 0.396 0.295 0.194 0.096 -0.002 14.803 13.244 11.835 10.594 9.502 8.537 7.679 6.911 6.219 5.593 5.022 4.500 4.019 3.575 3.162 2.417 2.280 2.146 2.015 1.887 1.762 1.639 1.520 1.403 1.288 1.176 1.066 0.957 0.851 0.747 0.644 0.543 0.443 0.345 0.249 0.153 14.892 13.347 11.939 10.697 9.603 8.635 7.775 7.005 6.313 5.686 5.116 4.595 4.116 3.674 3.264 2.526 2.390 2.257 2.127 2.001 1.877 1.757 1.638 1.523 1.410 1.299 1.190 1.084 0.979 0.876 0.775 0.676 0.578 0.482 0.387 0.293 99999.999 13.446 12.039 10.795 9.699 8.729 7.867 7.095 6.402 5.775 5.205 4.684 4.207 3.767 3.359 2.626 2.491 2.359 2.231 2.106 1.983 1.864 1.747 1.633 1.521 1.412 1.304 1.199 1.096 0.994 0.895 0.797 0.701 0.606 0.512 0.420 PdO(s) PdO(s) P-T:All Wt.(g/mol) = 122.420 V(cc/mol) = 14.680 D(g/cc) = 8.339 Ref: Shock07 3 -2.000 1 1.000 2 1.000 39 0.477 0.116 -0.189 -0.445 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.477 0.116 -0.189 -0.445 -0.665 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.477 0.116 -0.188 -0.445 -0.664 -0.856 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.478 0.117 -0.188 -0.444 -0.664 -0.855 -1.028 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.479 0.118 -0.187 -0.443 -0.663 -0.854 -1.027 -1.186 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.481 0.120 -0.185 -0.441 -0.661 -0.853 -1.025 -1.184 -1.335 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.484 0.123 -0.182 -0.439 -0.658 -0.850 -1.022 -1.181 -1.332 -1.481 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.489 0.127 -0.178 -0.435 -0.655 -0.846 -1.018 -1.176 -1.327 -1.475 -1.629 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.495 0.132 -0.173 -0.430 -0.650 -0.841 -1.013 -1.171 -1.321 -1.468 -1.620 -1.784 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.503 0.140 -0.166 -0.423 -0.643 -0.834 -1.005 -1.163 -1.312 -1.458 -1.608 -1.769 -1.944 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.513 0.149 -0.157 -0.415 -0.634 -0.825 -0.996 -1.153 -1.301 -1.446 -1.593 -1.751 -1.921 -2.090 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.526 0.161 -0.146 -0.403 -0.623 -0.814 -0.984 -1.141 -1.288 -1.430 -1.575 -1.727 -1.891 -2.065 -2.170 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.536 0.170 -0.137 -0.395 -0.615 -0.806 -0.976 -1.131 -1.277 -1.418 -1.561 -1.709 -1.868 -2.040 -2.220 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.550 0.183 -0.124 -0.383 -0.603 -0.793 -0.963 -1.118 -1.262 -1.402 -1.541 -1.684 -1.836 -2.001 -2.207 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.563 0.196 -0.112 -0.371 -0.591 -0.782 -0.951 -1.105 -1.248 -1.386 -1.522 -1.660 -1.805 -1.960 -2.162 0.681 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.576 0.208 -0.101 -0.360 -0.580 -0.770 -0.939 -1.092 -1.234 -1.370 -1.504 -1.637 -1.775 -1.920 -2.108 -1.008 -0.226 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.589 0.220 -0.089 -0.348 -0.568 -0.759 -0.927 -1.079 -1.221 -1.355 -1.486 -1.615 -1.746 -1.882 -2.052 -1.413 -1.099 -0.586 0.124 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.601 0.232 -0.078 -0.337 -0.558 -0.748 -0.915 -1.067 -1.207 -1.340 -1.469 -1.595 -1.719 -1.846 -1.998 -1.590 -1.424 -1.167 -0.794 -0.311 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.613 0.244 -0.066 -0.326 -0.547 -0.737 -0.904 -1.055 -1.195 -1.326 -1.452 -1.575 -1.694 -1.812 -1.948 -1.685 -1.586 -1.437 -1.224 -0.936 -0.580 -0.195 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.625 0.255 -0.056 -0.316 -0.536 -0.726 -0.893 -1.044 -1.182 -1.312 -1.437 -1.556 -1.671 -1.782 -1.902 -1.741 -1.679 -1.585 -1.453 -1.273 -1.042 -0.767 -0.468 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.637 0.266 -0.045 -0.305 -0.526 -0.716 -0.882 -1.032 -1.170 -1.299 -1.421 -1.538 -1.649 -1.753 -1.860 -1.774 -1.735 -1.675 -1.588 -1.470 -1.316 -1.127 -0.906 -0.667 -0.426 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.648 0.277 -0.034 -0.295 -0.516 -0.705 -0.872 -1.021 -1.158 -1.286 -1.406 -1.521 -1.628 -1.728 -1.824 -1.795 -1.770 -1.731 -1.673 -1.593 -1.488 -1.356 -1.197 -1.015 -0.818 -0.616 -0.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.659 0.288 -0.024 -0.285 -0.506 -0.695 -0.861 -1.010 -1.146 -1.273 -1.392 -1.505 -1.609 -1.705 -1.793 -1.806 -1.792 -1.767 -1.728 -1.674 -1.600 -1.507 -1.392 -1.256 -1.103 -0.937 -0.765 -0.593 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.669 0.298 -0.014 -0.275 -0.496 -0.686 -0.851 -0.999 -1.134 -1.260 -1.378 -1.489 -1.591 -1.684 -1.767 -1.811 -1.805 -1.790 -1.765 -1.727 -1.676 -1.609 -1.525 -1.424 -1.307 -1.176 -1.034 -0.885 -0.733 -0.579 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.680 0.308 -0.004 -0.265 -0.486 -0.676 -0.841 -0.989 -1.123 -1.248 -1.365 -1.474 -1.575 -1.665 -1.744 -1.811 -1.811 -1.804 -1.789 -1.764 -1.728 -1.680 -1.619 -1.544 -1.455 -1.352 -1.238 -1.115 -0.984 -0.848 -0.709 99999.999 99999.999 99999.999 99999.999 99999.999 0.690 0.318 0.006 -0.256 -0.477 -0.666 -0.831 -0.978 -1.112 -1.236 -1.352 -1.460 -1.559 -1.648 -1.725 -1.809 -1.813 -1.812 -1.804 -1.788 -1.763 -1.729 -1.685 -1.629 -1.562 -1.483 -1.392 -1.292 -1.183 -1.067 -0.944 -0.817 -0.686 99999.999 99999.999 99999.999 0.700 0.328 0.015 -0.247 -0.468 -0.657 -0.822 -0.968 -1.101 -1.224 -1.339 -1.446 -1.545 -1.633 -1.708 -1.804 -1.812 -1.815 -1.812 -1.803 -1.788 -1.764 -1.732 -1.691 -1.640 -1.579 -1.508 -1.428 -1.339 -1.242 -1.137 -1.027 -0.911 -0.789 99999.999 99999.999 0.709 0.338 0.025 -0.237 -0.459 -0.648 -0.812 -0.958 -1.091 -1.213 -1.327 -1.433 -1.531 -1.618 -1.694 -1.797 -1.808 -1.814 -1.816 -1.813 -1.804 -1.788 -1.766 -1.736 -1.698 -1.651 -1.596 -1.532 -1.460 -1.380 -1.293 -1.199 -1.098 -0.992 -0.879 -0.761 0.718 0.347 0.034 -0.228 -0.450 -0.639 -0.803 -0.949 -1.081 -1.202 -1.315 -1.420 -1.517 -1.604 -1.680 -1.789 -1.802 -1.811 -1.816 -1.817 -1.813 -1.804 -1.789 -1.768 -1.740 -1.705 -1.663 -1.612 -1.555 -1.490 -1.417 -1.338 -1.253 -1.161 -1.063 -0.959 0.800 0.432 0.118 -0.146 -0.367 -0.556 -0.718 -0.860 -0.987 -1.101 -1.206 -1.304 -1.394 -1.476 -1.551 -1.677 -1.698 -1.718 -1.736 -1.754 -1.769 -1.784 -1.796 -1.808 -1.817 -1.825 -1.832 -1.836 -1.838 -1.839 -1.837 -1.833 -1.826 -1.817 -1.806 -1.792 0.863 0.502 0.189 -0.074 -0.296 -0.484 -0.645 -0.785 -0.907 -1.017 -1.116 -1.206 -1.290 -1.366 -1.436 -1.558 -1.579 -1.600 -1.620 -1.639 -1.658 -1.675 -1.692 -1.709 -1.724 -1.739 -1.754 -1.768 -1.781 -1.794 -1.806 -1.817 -1.828 -1.838 -1.848 -1.857 0.912 0.561 0.251 -0.012 -0.234 -0.421 -0.581 -0.719 -0.838 -0.944 -1.038 -1.123 -1.201 -1.271 -1.336 -1.449 -1.470 -1.489 -1.508 -1.527 -1.544 -1.562 -1.578 -1.595 -1.611 -1.627 -1.642 -1.657 -1.672 -1.687 -1.701 -1.716 -1.730 -1.744 -1.758 -1.772 0.949 0.611 0.305 0.043 -0.178 -0.365 -0.524 -0.660 -0.778 -0.880 -0.970 -1.051 -1.123 -1.189 -1.249 -1.353 -1.371 -1.389 -1.407 -1.423 -1.440 -1.456 -1.471 -1.487 -1.501 -1.516 -1.531 -1.545 -1.559 -1.573 -1.587 -1.601 -1.615 -1.629 -1.643 -1.658 0.977 0.654 0.352 0.092 -0.128 -0.314 -0.473 -0.607 -0.723 -0.823 -0.910 -0.987 -1.055 -1.117 -1.172 -1.267 -1.284 -1.300 -1.316 -1.331 -1.346 -1.360 -1.374 -1.388 -1.401 -1.414 -1.427 -1.440 -1.453 -1.466 -1.478 -1.491 -1.504 -1.516 -1.529 -1.542 0.998 0.691 0.394 0.137 -0.082 -0.268 -0.426 -0.559 -0.674 -0.772 -0.857 -0.930 -0.995 -1.052 -1.103 -1.190 -1.206 -1.220 -1.235 -1.248 -1.261 -1.274 -1.287 -1.299 -1.311 -1.322 -1.334 -1.345 -1.356 -1.367 -1.379 -1.390 -1.401 -1.412 -1.423 -1.435 1.013 0.723 0.432 0.177 -0.041 -0.226 -0.382 -0.515 -0.629 -0.725 -0.808 -0.879 -0.941 -0.995 -1.043 -1.122 -1.136 -1.149 -1.162 -1.174 -1.186 -1.197 -1.208 -1.219 -1.229 -1.240 -1.250 -1.259 -1.269 -1.279 -1.288 -1.298 -1.308 -1.317 -1.327 -1.337 99999.999 0.752 0.467 0.214 -0.002 -0.186 -0.342 -0.475 -0.587 -0.682 -0.763 -0.832 -0.892 -0.943 -0.988 -1.061 -1.073 -1.085 -1.096 -1.107 -1.118 -1.128 -1.138 -1.147 -1.156 -1.165 -1.174 -1.182 -1.190 -1.199 -1.207 -1.215 -1.224 -1.232 -1.240 -1.249 Pd(OH)2(s) Pd(OH)2(s) P-T:All Wt.(g/mol) = 140.430 V(cc/mol) = 28.380 D(g/cc) = 4.948 Ref: Shock07 3 -2.000 1 2.000 2 1.000 39 -0.466 -0.604 -0.708 -0.783 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.466 -0.604 -0.708 -0.783 -0.836 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.466 -0.604 -0.708 -0.783 -0.836 -0.875 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.465 -0.604 -0.708 -0.782 -0.836 -0.875 -0.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.464 -0.603 -0.707 -0.782 -0.835 -0.874 -0.905 -0.933 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.463 -0.601 -0.706 -0.780 -0.834 -0.873 -0.904 -0.932 -0.960 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.460 -0.599 -0.704 -0.778 -0.832 -0.871 -0.902 -0.929 -0.958 -0.991 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.457 -0.596 -0.701 -0.776 -0.829 -0.868 -0.899 -0.926 -0.954 -0.987 -1.032 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.453 -0.592 -0.697 -0.772 -0.825 -0.864 -0.895 -0.922 -0.949 -0.982 -1.025 -1.086 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.447 -0.587 -0.692 -0.767 -0.821 -0.859 -0.890 -0.916 -0.943 -0.974 -1.016 -1.074 -1.150 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.439 -0.580 -0.685 -0.761 -0.814 -0.853 -0.883 -0.909 -0.935 -0.965 -1.004 -1.058 -1.131 -1.204 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.430 -0.571 -0.677 -0.753 -0.806 -0.845 -0.874 -0.900 -0.924 -0.953 -0.989 -1.039 -1.105 -1.185 -1.197 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.423 -0.565 -0.671 -0.747 -0.800 -0.839 -0.868 -0.893 -0.917 -0.943 -0.978 -1.024 -1.086 -1.164 -1.251 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.413 -0.555 -0.662 -0.738 -0.792 -0.830 -0.859 -0.883 -0.906 -0.931 -0.962 -1.003 -1.058 -1.130 -1.245 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.404 -0.546 -0.653 -0.730 -0.784 -0.822 -0.850 -0.873 -0.895 -0.919 -0.947 -0.984 -1.031 -1.094 -1.207 1.815 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.394 -0.538 -0.645 -0.722 -0.776 -0.814 -0.841 -0.864 -0.885 -0.907 -0.933 -0.965 -1.006 -1.060 -1.159 0.115 0.933 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.385 -0.529 -0.637 -0.714 -0.768 -0.806 -0.833 -0.855 -0.875 -0.896 -0.919 -0.948 -0.982 -1.026 -1.108 -0.298 0.050 0.597 1.342 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.377 -0.521 -0.629 -0.706 -0.760 -0.798 -0.825 -0.846 -0.865 -0.885 -0.906 -0.931 -0.960 -0.995 -1.059 -0.483 -0.283 0.006 0.413 0.931 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.368 -0.513 -0.621 -0.699 -0.753 -0.790 -0.817 -0.838 -0.856 -0.874 -0.893 -0.915 -0.939 -0.966 -1.014 -0.585 -0.453 -0.272 -0.026 0.295 0.683 1.101 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.360 -0.505 -0.614 -0.691 -0.745 -0.783 -0.809 -0.830 -0.847 -0.864 -0.881 -0.900 -0.920 -0.940 -0.973 -0.647 -0.553 -0.428 -0.264 -0.052 0.211 0.518 0.848 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.353 -0.497 -0.606 -0.684 -0.738 -0.776 -0.802 -0.822 -0.838 -0.854 -0.870 -0.886 -0.902 -0.916 -0.937 -0.687 -0.616 -0.524 -0.406 -0.257 -0.073 0.148 0.400 0.670 0.941 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.345 -0.490 -0.599 -0.677 -0.731 -0.769 -0.795 -0.814 -0.829 -0.844 -0.859 -0.873 -0.886 -0.895 -0.906 -0.713 -0.658 -0.587 -0.499 -0.388 -0.253 -0.090 0.099 0.311 0.538 0.770 0.997 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.338 -0.483 -0.592 -0.670 -0.725 -0.762 -0.787 -0.806 -0.821 -0.835 -0.848 -0.861 -0.871 -0.877 -0.879 -0.730 -0.685 -0.630 -0.561 -0.476 -0.373 -0.249 -0.105 0.060 0.243 0.438 0.639 0.840 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.331 -0.475 -0.585 -0.663 -0.718 -0.755 -0.780 -0.799 -0.813 -0.826 -0.838 -0.849 -0.857 -0.860 -0.857 -0.741 -0.704 -0.659 -0.603 -0.536 -0.455 -0.359 -0.246 -0.117 0.029 0.189 0.359 0.536 0.717 0.898 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.324 -0.469 -0.578 -0.657 -0.711 -0.749 -0.774 -0.791 -0.805 -0.817 -0.828 -0.838 -0.844 -0.846 -0.839 -0.747 -0.716 -0.679 -0.633 -0.579 -0.514 -0.437 -0.347 -0.244 -0.127 0.004 0.145 0.297 0.455 0.618 0.784 99999.999 99999.999 99999.999 99999.999 99999.999 -0.317 -0.462 -0.572 -0.651 -0.705 -0.742 -0.767 -0.784 -0.797 -0.809 -0.819 -0.827 -0.833 -0.833 -0.824 -0.749 -0.723 -0.692 -0.654 -0.609 -0.556 -0.493 -0.421 -0.337 -0.242 -0.135 -0.017 0.110 0.246 0.389 0.537 0.690 0.847 99999.999 99999.999 99999.999 -0.311 -0.455 -0.565 -0.644 -0.699 -0.736 -0.761 -0.777 -0.790 -0.800 -0.810 -0.817 -0.822 -0.821 -0.812 -0.749 -0.727 -0.700 -0.668 -0.631 -0.586 -0.535 -0.475 -0.406 -0.328 -0.240 -0.142 -0.035 0.081 0.204 0.334 0.470 0.612 0.758 99999.999 99999.999 -0.305 -0.449 -0.559 -0.638 -0.693 -0.730 -0.754 -0.771 -0.783 -0.792 -0.801 -0.808 -0.812 -0.811 -0.802 -0.747 -0.728 -0.705 -0.678 -0.646 -0.608 -0.565 -0.515 -0.457 -0.392 -0.319 -0.237 -0.147 -0.049 0.056 0.169 0.289 0.414 0.545 0.682 0.824 -0.299 -0.443 -0.553 -0.632 -0.687 -0.724 -0.748 -0.764 -0.775 -0.784 -0.792 -0.798 -0.802 -0.801 -0.793 -0.744 -0.727 -0.707 -0.683 -0.656 -0.624 -0.587 -0.545 -0.496 -0.441 -0.380 -0.311 -0.235 -0.152 -0.061 0.036 0.140 0.250 0.366 0.488 0.615 -0.250 -0.389 -0.499 -0.579 -0.634 -0.670 -0.693 -0.706 -0.712 -0.715 -0.716 -0.716 -0.714 -0.709 -0.702 -0.676 -0.668 -0.660 -0.651 -0.641 -0.630 -0.618 -0.605 -0.590 -0.575 -0.558 -0.540 -0.521 -0.499 -0.476 -0.452 -0.425 -0.397 -0.366 -0.333 -0.298 -0.216 -0.347 -0.455 -0.535 -0.590 -0.626 -0.647 -0.658 -0.661 -0.660 -0.655 -0.649 -0.641 -0.632 -0.621 -0.594 -0.588 -0.581 -0.574 -0.567 -0.559 -0.551 -0.543 -0.535 -0.527 -0.518 -0.509 -0.500 -0.491 -0.481 -0.472 -0.462 -0.452 -0.441 -0.431 -0.420 -0.195 -0.314 -0.419 -0.498 -0.552 -0.588 -0.608 -0.618 -0.619 -0.614 -0.605 -0.594 -0.581 -0.567 -0.552 -0.519 -0.511 -0.504 -0.497 -0.489 -0.481 -0.474 -0.466 -0.459 -0.451 -0.444 -0.437 -0.430 -0.423 -0.416 -0.409 -0.403 -0.397 -0.392 -0.386 -0.381 -0.183 -0.289 -0.389 -0.466 -0.520 -0.555 -0.575 -0.583 -0.582 -0.575 -0.563 -0.548 -0.531 -0.513 -0.493 -0.452 -0.443 -0.435 -0.426 -0.418 -0.409 -0.401 -0.392 -0.384 -0.376 -0.368 -0.360 -0.353 -0.345 -0.339 -0.332 -0.326 -0.320 -0.315 -0.310 -0.306 -0.178 -0.268 -0.364 -0.439 -0.492 -0.527 -0.546 -0.553 -0.551 -0.541 -0.527 -0.509 -0.488 -0.466 -0.442 -0.394 -0.384 -0.374 -0.364 -0.354 -0.344 -0.334 -0.325 -0.315 -0.306 -0.297 -0.288 -0.280 -0.271 -0.264 -0.256 -0.249 -0.242 -0.236 -0.230 -0.225 -0.179 -0.252 -0.342 -0.415 -0.467 -0.501 -0.520 -0.527 -0.523 -0.512 -0.495 -0.475 -0.451 -0.425 -0.398 -0.343 -0.331 -0.320 -0.309 -0.298 -0.287 -0.276 -0.265 -0.254 -0.244 -0.233 -0.223 -0.213 -0.204 -0.195 -0.186 -0.178 -0.170 -0.162 -0.155 -0.149 -0.185 -0.240 -0.324 -0.394 -0.445 -0.479 -0.497 -0.502 -0.498 -0.486 -0.468 -0.445 -0.418 -0.390 -0.360 -0.298 -0.285 -0.273 -0.260 -0.248 -0.236 -0.224 -0.211 -0.200 -0.188 -0.176 -0.165 -0.154 -0.143 -0.133 -0.123 -0.114 -0.104 -0.096 -0.087 -0.080 99999.999 -0.229 -0.307 -0.375 -0.425 -0.458 -0.475 -0.480 -0.475 -0.462 -0.443 -0.418 -0.390 -0.359 -0.326 -0.259 -0.245 -0.231 -0.218 -0.204 -0.191 -0.177 -0.164 -0.151 -0.138 -0.126 -0.113 -0.101 -0.089 -0.078 -0.067 -0.056 -0.046 -0.036 -0.027 -0.018 Pd4S(s) Pd4S P-T:All Wt.(g/mol) = 457.750 V(cc/mol) = 44.030 D(g/cc) = 10.396 Ref: Shock07 5 -7.750 1 -0.750 4 1.750 6 3.000 2 4.000 39 -121.752 -112.509 -104.680 -97.962 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -121.752 -112.509 -104.680 -97.962 -92.140 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -121.751 -112.508 -104.679 -97.961 -92.139 -87.056 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -121.749 -112.506 -104.677 -97.959 -92.137 -87.054 -82.595 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -121.746 -112.503 -104.674 -97.956 -92.134 -87.051 -82.591 -78.664 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -121.740 -112.498 -104.669 -97.951 -92.129 -87.045 -82.585 -78.658 -75.193 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -121.732 -112.490 -104.662 -97.944 -92.121 -87.037 -82.576 -78.648 -75.182 -72.129 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -121.720 -112.479 -104.652 -97.933 -92.110 -87.026 -82.564 -78.633 -75.165 -72.110 -69.440 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -121.705 -112.464 -104.637 -97.919 -92.096 -87.010 -82.546 -78.614 -75.142 -72.082 -69.405 -67.097 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -121.684 -112.445 -104.619 -97.900 -92.076 -86.989 -82.524 -78.588 -75.113 -72.047 -69.361 -67.038 -65.054 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -121.657 -112.420 -104.594 -97.876 -92.051 -86.963 -82.494 -78.555 -75.074 -72.001 -69.303 -66.962 -64.958 -63.206 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -121.624 -112.389 -104.564 -97.845 -92.019 -86.929 -82.457 -78.513 -75.026 -71.944 -69.231 -66.867 -64.833 -63.093 -61.330 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -121.599 -112.365 -104.541 -97.822 -91.995 -86.903 -82.429 -78.482 -74.990 -71.901 -69.177 -66.795 -64.737 -62.984 -61.508 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -121.565 -112.332 -104.508 -97.789 -91.961 -86.867 -82.390 -78.437 -74.939 -71.840 -69.102 -66.696 -64.603 -62.814 -61.430 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -121.532 -112.300 -104.477 -97.758 -91.929 -86.832 -82.351 -78.394 -74.890 -71.782 -69.030 -66.601 -64.474 -62.642 -61.231 -45.844 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -121.500 -112.269 -104.446 -97.727 -91.897 -86.798 -82.314 -78.352 -74.842 -71.726 -68.960 -66.511 -64.352 -62.473 -60.995 -52.568 -48.735 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -121.470 -112.240 -104.417 -97.697 -91.865 -86.765 -82.278 -78.312 -74.796 -71.672 -68.894 -66.425 -64.236 -62.312 -60.754 -54.170 -52.197 -49.464 -45.990 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -121.441 -112.211 -104.388 -97.668 -91.835 -86.733 -82.242 -78.272 -74.751 -71.619 -68.830 -66.344 -64.128 -62.162 -60.522 -54.863 -53.480 -51.762 -49.605 -47.045 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -121.414 -112.183 -104.360 -97.639 -91.806 -86.701 -82.208 -78.234 -74.707 -71.568 -68.769 -66.267 -64.026 -62.023 -60.307 -55.231 -54.114 -52.823 -51.299 -49.501 -47.465 -45.346 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -121.387 -112.157 -104.333 -97.612 -91.777 -86.671 -82.175 -78.197 -74.664 -71.519 -68.710 -66.194 -63.932 -61.895 -60.112 -55.443 -54.472 -53.400 -52.195 -50.824 -49.273 -47.573 -45.808 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -121.362 -112.131 -104.307 -97.585 -91.749 -86.641 -82.142 -78.160 -74.623 -71.471 -68.654 -66.125 -63.845 -61.780 -59.939 -55.569 -54.686 -53.744 -52.719 -51.592 -50.345 -48.976 -47.508 -45.990 -44.491 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -121.339 -112.106 -104.281 -97.559 -91.722 -86.612 -82.110 -78.125 -74.583 -71.425 -68.599 -66.060 -63.764 -61.675 -59.788 -55.641 -54.818 -53.957 -53.046 -52.068 -51.012 -49.867 -48.637 -47.338 -46.001 -44.665 -43.368 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -121.316 -112.082 -104.257 -97.533 -91.695 -86.584 -82.079 -78.090 -74.544 -71.380 -68.547 -65.998 -63.689 -61.582 -59.658 -55.678 -54.896 -54.091 -53.255 -52.375 -51.444 -50.451 -49.392 -48.272 -47.101 -45.900 -44.692 -43.500 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -121.295 -112.058 -104.233 -97.508 -91.669 -86.556 -82.049 -78.057 -74.506 -71.337 -68.497 -65.939 -63.619 -61.498 -59.547 -55.692 -54.939 -54.174 -53.390 -52.578 -51.731 -50.843 -49.907 -48.921 -47.890 -46.820 -45.725 -44.619 -43.515 -42.423 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -121.274 -112.036 -104.209 -97.484 -91.644 -86.529 -82.020 -78.024 -74.469 -71.295 -68.449 -65.883 -63.555 -61.423 -59.454 -55.689 -54.958 -54.222 -53.475 -52.712 -51.926 -51.111 -50.263 -49.378 -48.455 -47.497 -46.509 -45.499 -44.475 -43.447 -42.418 99999.999 99999.999 99999.999 99999.999 99999.999 -121.255 -112.014 -104.187 -97.461 -91.619 -86.503 -81.991 -77.992 -74.433 -71.254 -68.402 -65.830 -63.495 -61.355 -59.375 -55.673 -54.960 -54.245 -53.527 -52.799 -52.057 -51.296 -50.513 -49.702 -48.863 -47.995 -47.098 -46.177 -45.237 -44.282 -43.318 -42.346 -41.370 99999.999 99999.999 99999.999 -121.236 -111.994 -104.165 -97.438 -91.595 -86.477 -81.963 -77.961 -74.398 -71.214 -68.357 -65.779 -63.439 -61.294 -59.308 -55.649 -54.948 -54.251 -53.553 -52.852 -52.143 -51.423 -50.688 -49.934 -49.159 -48.361 -47.540 -46.696 -45.832 -44.950 -44.053 -43.145 -42.225 -41.296 99999.999 99999.999 -121.219 -111.973 -104.143 -97.416 -91.572 -86.452 -81.935 -77.930 -74.363 -71.175 -68.313 -65.730 -63.385 -61.237 -59.250 -55.618 -54.927 -54.243 -53.562 -52.881 -52.198 -51.509 -50.810 -50.100 -49.375 -48.632 -47.871 -47.092 -46.294 -45.478 -44.646 -43.800 -42.940 -42.068 -41.183 -40.285 -121.203 -111.954 -104.123 -97.394 -91.549 -86.427 -81.909 -77.900 -74.330 -71.137 -68.270 -65.683 -63.333 -61.183 -59.195 -55.581 -54.899 -54.225 -53.557 -52.892 -52.229 -51.564 -50.894 -50.217 -49.530 -48.832 -48.120 -47.393 -46.650 -45.892 -45.119 -44.331 -43.529 -42.713 -41.885 -41.043 -121.088 -111.797 -103.947 -97.205 -91.347 -86.210 -81.672 -77.638 -74.034 -70.803 -67.894 -65.263 -62.874 -60.692 -58.687 -55.114 -54.458 -53.820 -53.198 -52.591 -51.998 -51.418 -50.851 -50.295 -49.749 -49.214 -48.686 -48.166 -47.653 -47.145 -46.643 -46.144 -45.648 -45.154 -44.661 -44.170 -121.048 -111.695 -103.818 -97.060 -91.188 -86.036 -81.480 -77.425 -73.796 -70.534 -67.591 -64.924 -62.498 -60.282 -58.248 -54.637 -53.979 -53.339 -52.718 -52.114 -51.527 -50.956 -50.400 -49.860 -49.333 -48.820 -48.320 -47.832 -47.357 -46.893 -46.440 -45.998 -45.565 -45.143 -44.729 -44.325 -121.066 -111.636 -103.726 -96.948 -91.061 -85.895 -81.324 -77.251 -73.601 -70.314 -67.342 -64.644 -62.187 -59.939 -57.875 -54.213 -53.546 -52.898 -52.270 -51.659 -51.066 -50.490 -49.930 -49.385 -48.856 -48.342 -47.842 -47.355 -46.882 -46.423 -45.975 -45.541 -45.118 -44.707 -44.307 -43.918 -121.131 -111.613 -103.664 -96.863 -90.960 -85.779 -81.194 -77.105 -73.437 -70.130 -67.134 -64.410 -61.925 -59.649 -57.557 -53.844 -53.167 -52.510 -51.872 -51.253 -50.651 -50.066 -49.498 -48.946 -48.409 -47.888 -47.381 -46.888 -46.409 -45.943 -45.491 -45.051 -44.624 -44.209 -43.806 -43.415 -121.233 -111.618 -103.626 -96.801 -90.880 -85.685 -81.086 -76.983 -73.299 -69.974 -66.958 -64.213 -61.703 -59.402 -57.286 -53.523 -52.837 -52.171 -51.524 -50.896 -50.285 -49.691 -49.114 -48.554 -48.008 -47.478 -46.963 -46.462 -45.974 -45.501 -45.040 -44.592 -44.157 -43.735 -43.324 -42.926 -121.365 -111.646 -103.609 -96.757 -90.817 -85.608 -80.995 -76.879 -73.182 -69.841 -66.808 -64.043 -61.513 -59.191 -57.052 -53.245 -52.550 -51.875 -51.219 -50.582 -49.963 -49.361 -48.776 -48.207 -47.653 -47.114 -46.591 -46.081 -45.586 -45.104 -44.635 -44.179 -43.735 -43.304 -42.885 -42.478 -121.523 -111.692 -103.608 -96.729 -90.770 -85.545 -80.919 -76.791 -73.080 -69.726 -66.679 -63.898 -61.350 -59.008 -56.849 -53.002 -52.299 -51.616 -50.952 -50.307 -49.680 -49.071 -48.478 -47.901 -47.339 -46.793 -46.261 -45.744 -45.241 -44.751 -44.274 -43.810 -43.359 -42.920 -42.493 -42.077 99999.999 -111.753 -103.621 -96.713 -90.734 -85.494 -80.856 -76.715 -72.993 -69.627 -66.566 -63.770 -61.207 -58.849 -56.672 -52.789 -52.078 -51.388 -50.718 -50.066 -49.431 -48.814 -48.214 -47.630 -47.062 -46.508 -45.970 -45.445 -44.935 -44.438 -43.954 -43.483 -43.025 -42.579 -42.144 -41.722 Pd4S(s) Pd4S P-T:All Wt.(g/mol) = 457.750 V(cc/mol) = 44.030 D(g/cc) = 10.396 Ref: Shock07 5 -6.000 1 -3.500 31 3.000 2 1.000 4 4.000 39 144.420 129.546 116.588 105.237 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.420 129.546 116.588 105.237 95.196 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.424 129.550 116.592 105.240 95.199 86.225 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.432 129.557 116.599 105.247 95.205 86.231 78.127 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.444 129.568 116.610 105.258 95.216 86.242 78.138 70.745 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.464 129.587 116.628 105.275 95.233 86.259 78.156 70.763 63.949 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.494 129.616 116.655 105.301 95.259 86.285 78.183 70.791 63.979 57.623 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.537 129.656 116.694 105.339 95.296 86.322 78.221 70.831 64.022 57.672 51.655 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.595 129.712 116.747 105.390 95.346 86.373 78.273 70.886 64.082 57.739 51.735 45.940 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.673 129.785 116.817 105.459 95.414 86.440 78.342 70.959 64.160 57.827 51.840 46.074 40.390 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.775 129.882 116.909 105.547 95.501 86.528 78.432 71.053 64.262 57.941 51.975 46.245 40.620 34.939 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 144.905 130.005 117.027 105.661 95.613 86.640 78.546 71.173 64.391 58.085 52.145 46.459 40.905 35.324 29.438 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.004 130.099 117.117 105.749 95.699 86.726 78.634 71.265 64.490 58.194 52.273 46.619 41.117 35.616 29.736 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.146 130.234 117.246 105.873 95.821 86.848 78.759 71.395 64.628 58.348 52.451 46.840 41.409 36.018 30.284 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.286 130.367 117.373 105.996 95.941 86.968 78.881 71.523 64.764 58.497 52.624 47.051 41.685 36.398 30.845 28.837 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.424 130.498 117.498 106.117 96.060 87.087 79.002 71.648 64.898 58.643 52.791 47.254 41.946 36.755 31.382 25.866 25.643 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.560 130.628 117.622 106.237 96.178 87.204 79.120 71.771 65.028 58.786 52.953 47.448 42.192 37.088 31.884 25.360 24.299 23.558 22.899 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.694 130.756 117.745 106.355 96.293 87.319 79.237 71.892 65.156 58.925 53.110 47.634 42.425 37.399 32.346 25.298 23.975 22.816 21.828 20.883 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.827 130.883 117.866 106.472 96.408 87.433 79.353 72.011 65.282 59.061 53.262 47.812 42.646 37.687 32.769 25.380 23.949 22.616 21.395 20.273 19.172 17.940 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 145.958 131.008 117.986 106.588 96.521 87.545 79.466 72.128 65.405 59.194 53.410 47.984 42.854 37.955 33.153 25.521 24.038 22.624 21.285 20.026 18.829 17.644 16.392 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 146.088 131.132 118.104 106.702 96.633 87.656 79.578 72.244 65.526 59.324 53.554 48.148 43.051 38.202 33.499 25.689 24.180 22.723 21.324 19.984 18.703 17.464 16.237 14.977 13.636 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 146.216 131.254 118.222 106.815 96.743 87.766 79.689 72.357 65.645 59.451 53.693 48.307 43.237 38.431 33.809 25.871 24.348 22.868 21.435 20.050 18.714 17.423 16.165 14.920 13.663 12.368 11.023 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 146.343 131.376 118.338 106.927 96.853 87.874 79.798 72.470 65.763 59.576 53.830 48.459 43.413 38.643 34.087 26.058 24.528 23.037 21.584 20.173 18.804 17.475 16.183 14.920 13.673 12.428 11.172 9.899 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 146.468 131.496 118.453 107.038 96.961 87.981 79.906 72.580 65.878 59.699 53.963 48.607 43.580 38.840 34.334 26.246 24.714 23.217 21.754 20.328 18.938 17.585 16.268 14.982 13.723 12.484 11.258 10.037 8.821 7.612 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 146.592 131.614 118.566 107.148 97.068 88.087 80.012 72.689 65.991 59.819 54.092 48.749 43.739 39.022 34.556 26.435 24.902 23.402 21.935 20.500 19.099 17.731 16.395 15.092 13.818 12.571 11.347 10.142 8.955 7.786 6.639 99999.999 99999.999 99999.999 99999.999 99999.999 146.714 131.732 118.679 107.256 97.174 88.192 80.118 72.797 66.103 59.937 54.219 48.887 43.891 39.193 34.754 26.621 25.090 23.590 22.121 20.682 19.274 17.897 16.550 15.234 13.947 12.689 11.458 10.253 9.072 7.917 6.789 5.692 4.632 99999.999 99999.999 99999.999 146.835 131.848 118.790 107.364 97.279 88.295 80.222 72.903 66.213 60.053 54.343 49.021 44.037 39.353 34.935 26.805 25.276 23.778 22.309 20.869 19.458 18.076 16.722 15.397 14.101 12.833 11.594 10.382 9.199 8.044 6.919 5.827 4.772 3.758 99999.999 99999.999 146.955 131.964 118.901 107.470 97.382 88.398 80.324 73.007 66.322 60.168 54.465 49.151 44.178 39.506 35.102 26.986 25.460 23.964 22.497 21.057 19.646 18.261 16.904 15.574 14.271 12.996 11.749 10.530 9.340 8.180 7.051 5.955 4.895 3.875 2.900 1.972 147.074 132.078 119.010 107.576 97.485 88.499 80.426 73.111 66.429 60.280 54.584 49.279 44.315 39.653 35.260 27.164 25.641 24.148 22.683 21.246 19.835 18.450 17.092 15.759 14.453 13.173 11.919 10.694 9.497 8.329 7.193 6.089 5.021 3.990 3.001 2.056 148.197 133.166 120.053 108.581 98.463 89.461 81.386 74.083 67.428 61.321 55.680 50.442 45.554 40.976 36.671 28.761 27.277 25.821 24.393 22.991 21.614 20.260 18.930 17.621 16.334 15.067 13.821 12.594 11.388 10.201 9.034 7.887 6.761 5.655 4.571 3.509 149.225 134.170 121.019 109.512 99.366 90.346 82.262 74.962 68.322 62.242 56.639 51.447 46.614 42.096 37.857 30.092 28.639 27.215 25.820 24.452 23.109 21.790 20.495 19.222 17.970 16.739 15.527 14.333 13.158 12.000 10.859 9.735 8.626 7.533 6.456 5.393 150.176 135.108 121.923 110.382 100.209 91.170 83.075 75.772 69.139 63.075 57.498 52.341 47.548 43.075 38.885 31.232 29.804 28.405 27.035 25.693 24.377 23.087 21.820 20.576 19.353 18.152 16.970 15.807 14.662 13.535 12.424 11.329 10.250 9.185 8.134 7.097 151.068 135.992 122.777 111.205 101.005 91.945 83.837 76.528 69.897 63.842 58.282 53.149 48.386 43.949 39.798 32.232 30.823 29.444 28.094 26.772 25.478 24.209 22.964 21.743 20.544 19.366 18.209 17.071 15.951 14.849 13.764 12.695 11.642 10.603 9.578 8.567 151.912 136.833 123.590 111.988 101.762 92.682 84.558 77.240 70.607 64.556 59.007 53.891 49.151 44.741 40.621 33.125 31.730 30.367 29.033 27.728 26.450 25.199 23.972 22.769 21.588 20.429 19.291 18.173 17.074 15.992 14.928 13.880 12.848 11.831 10.829 9.840 152.717 137.639 124.369 112.738 102.487 93.385 85.245 77.917 71.278 65.228 59.685 54.581 49.857 45.468 41.372 33.933 32.550 31.199 29.879 28.587 27.323 26.085 24.872 23.684 22.518 21.374 20.252 19.150 18.066 17.001 15.954 14.923 13.909 12.909 11.925 10.954 153.490 138.416 125.119 113.460 103.183 94.060 85.904 78.564 71.918 65.866 60.325 55.228 50.516 46.143 42.066 34.672 33.299 31.959 30.648 29.367 28.114 26.888 25.687 24.510 23.356 22.225 21.115 20.025 18.955 17.904 16.870 15.853 14.852 13.867 12.897 11.940 99999.999 139.170 125.845 114.157 103.856 94.712 86.539 79.186 72.531 66.475 60.934 55.840 51.136 46.774 42.712 35.354 33.990 32.658 31.356 30.084 28.840 27.622 26.431 25.263 24.120 22.998 21.899 20.819 19.760 18.719 17.696 16.690 15.700 14.727 13.768 12.823 PdS2(s) PdS2 P-T:All Wt.(g/mol) = 170.530 V(cc/mol) = 34.300 D(g/cc) = 4.972 Ref: Shock07 5 -1.000 2 1.000 39 1.750 6 0.250 4 0.250 1 -61.202 -56.522 -52.706 -49.547 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -61.202 -56.522 -52.706 -49.547 -46.909 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -61.201 -56.522 -52.706 -49.547 -46.908 -44.694 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -61.199 -56.520 -52.704 -49.545 -46.907 -44.692 -42.834 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -61.196 -56.518 -52.702 -49.543 -46.904 -44.690 -42.831 -41.277 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -61.191 -56.514 -52.699 -49.540 -46.901 -44.686 -42.827 -41.272 -39.985 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -61.184 -56.508 -52.693 -49.534 -46.895 -44.680 -42.820 -41.264 -39.975 -38.933 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -61.173 -56.499 -52.685 -49.527 -46.887 -44.671 -42.810 -41.252 -39.962 -38.916 -38.111 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -61.159 -56.488 -52.675 -49.516 -46.876 -44.660 -42.797 -41.237 -39.943 -38.892 -38.080 -37.520 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -61.140 -56.472 -52.661 -49.503 -46.862 -44.644 -42.779 -41.217 -39.918 -38.862 -38.040 -37.463 -37.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -61.115 -56.453 -52.643 -49.485 -46.844 -44.624 -42.757 -41.190 -39.887 -38.823 -37.989 -37.392 -37.060 -37.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -61.084 -56.427 -52.620 -49.462 -46.820 -44.598 -42.728 -41.157 -39.847 -38.774 -37.925 -37.304 -36.931 -36.867 -37.322 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -61.060 -56.408 -52.602 -49.445 -46.802 -44.579 -42.706 -41.131 -39.817 -38.737 -37.877 -37.239 -36.837 -36.724 -37.104 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -61.026 -56.381 -52.577 -49.420 -46.776 -44.551 -42.675 -41.096 -39.775 -38.685 -37.812 -37.149 -36.709 -36.532 -36.795 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -60.993 -56.354 -52.552 -49.396 -46.751 -44.524 -42.645 -41.061 -39.734 -38.636 -37.748 -37.065 -36.590 -36.355 -36.507 -35.020 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -60.961 -56.328 -52.528 -49.372 -46.726 -44.497 -42.615 -41.027 -39.694 -38.588 -37.688 -36.985 -36.478 -36.191 -36.243 -35.186 -35.092 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -60.930 -56.302 -52.504 -49.348 -46.702 -44.471 -42.586 -40.994 -39.656 -38.541 -37.630 -36.909 -36.374 -36.041 -36.003 -35.123 -35.076 -35.063 -35.248 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -60.899 -56.276 -52.481 -49.325 -46.678 -44.446 -42.558 -40.962 -39.618 -38.496 -37.574 -36.836 -36.276 -35.902 -35.785 -35.006 -34.976 -34.962 -34.991 -35.143 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -60.869 -56.252 -52.458 -49.303 -46.655 -44.421 -42.530 -40.930 -39.581 -38.452 -37.520 -36.768 -36.185 -35.775 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-37.955 -36.634 -35.469 -34.441 -33.531 -32.723 -32.007 -30.809 -30.602 -30.404 -30.217 -30.038 -29.868 -29.707 -29.553 -29.408 -29.270 -29.140 -29.016 -28.900 -28.790 -28.687 -28.591 -28.500 -28.416 -28.338 -28.265 -28.198 99999.999 -55.058 -51.271 -48.091 -45.390 -43.078 -41.083 -39.350 -37.834 -36.503 -35.329 -34.289 -33.365 -32.544 -31.813 -30.582 -30.368 -30.164 -29.969 -29.784 -29.607 -29.438 -29.278 -29.125 -28.980 -28.842 -28.711 -28.587 -28.470 -28.360 -28.255 -28.157 -28.065 -27.979 -27.898 -27.823 PdS2(s) PdS2 P-T:All Wt.(g/mol) = 170.530 V(cc/mol) = 34.300 D(g/cc) = 4.972 Ref: Shock07 5 -1.000 2 -3.500 31 1.000 39 2.000 4 2.000 1 204.971 185.532 168.562 153.651 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 204.971 185.532 168.562 153.652 140.427 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 204.974 185.536 168.566 153.655 140.430 128.587 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 204.982 185.542 168.572 153.661 140.436 128.593 117.888 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 204.994 185.554 168.582 153.671 140.446 128.603 117.898 108.132 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 205.013 185.571 168.599 153.687 140.461 128.619 117.915 108.150 99.157 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 205.042 185.598 168.624 153.711 140.485 128.643 117.939 108.175 99.185 90.819 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 205.084 185.636 168.660 153.745 140.519 128.677 117.974 108.212 99.226 90.866 82.984 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 205.141 185.688 168.709 153.793 140.566 128.724 118.022 108.263 99.281 90.929 83.060 75.516 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 205.217 185.758 168.775 153.856 140.628 128.786 118.086 108.331 99.355 91.012 83.161 75.649 68.277 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 205.317 185.849 168.861 153.939 140.709 128.867 118.169 108.418 99.450 91.119 83.290 75.815 68.517 61.081 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 205.445 185.966 168.971 154.045 140.812 128.971 118.276 108.530 99.570 91.255 83.451 76.022 68.807 61.550 53.447 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 205.543 186.057 169.056 154.126 140.892 129.051 118.357 108.615 99.662 91.358 83.572 76.175 69.018 61.876 54.140 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 205.684 186.185 169.177 154.243 141.006 129.164 118.473 108.736 99.792 91.503 83.742 76.386 69.303 62.301 54.920 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 205.824 186.313 169.297 154.358 141.119 129.276 118.588 108.856 99.920 91.644 83.905 76.588 69.569 62.685 55.569 39.662 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 205.963 186.440 169.417 154.472 141.230 129.388 118.700 108.973 100.045 91.782 84.064 76.780 69.819 63.037 56.134 43.247 39.285 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 206.100 186.566 169.535 154.585 141.341 129.497 118.812 109.089 100.168 91.916 84.217 76.965 70.055 63.360 56.635 44.407 41.420 37.959 33.641 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 206.237 186.691 169.652 154.697 141.450 129.606 118.922 109.203 100.289 92.048 84.366 77.142 70.277 63.659 57.084 45.156 42.479 39.616 36.441 32.784 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 206.372 186.814 169.768 154.809 141.559 129.714 119.031 109.315 100.407 92.176 84.511 77.311 70.487 63.936 57.488 45.732 43.213 40.603 37.847 34.873 31.595 27.952 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 206.507 186.937 169.884 154.919 141.666 129.820 119.138 109.426 100.524 92.303 84.651 77.475 70.686 64.192 57.854 46.211 43.791 41.322 38.776 36.118 33.301 30.282 27.031 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 206.640 187.059 169.998 155.029 141.772 129.925 119.245 109.535 100.639 92.426 84.788 77.632 70.875 64.431 58.184 46.627 44.275 41.899 39.481 37.000 34.431 31.746 28.922 25.946 22.829 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 206.773 187.181 170.112 155.137 141.878 130.030 119.350 109.643 100.752 92.548 84.922 77.784 71.055 64.654 58.484 46.997 44.698 42.388 40.057 37.690 35.272 32.787 30.217 27.551 24.785 21.930 19.007 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 206.904 187.301 170.224 155.245 141.983 130.133 119.454 109.750 100.864 92.667 85.053 77.931 71.226 64.862 58.756 47.333 45.075 42.816 40.548 38.262 35.947 33.592 31.186 28.719 26.186 23.590 20.938 18.249 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 207.035 187.420 170.337 155.352 142.087 130.236 119.557 109.855 100.974 92.784 85.180 78.074 71.389 65.057 59.003 47.642 45.417 43.199 40.981 38.755 36.515 34.252 31.958 29.627 27.255 24.839 22.383 19.897 17.394 14.893 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 207.165 187.539 170.448 155.458 142.190 130.337 119.659 109.960 101.082 92.899 85.305 78.212 71.546 65.241 59.229 47.929 45.733 43.547 41.369 39.191 37.008 34.813 32.603 30.370 28.111 25.825 23.513 21.179 18.831 16.482 14.145 99999.999 99999.999 99999.999 99999.999 99999.999 207.294 187.657 170.558 155.563 142.292 130.438 119.760 110.062 101.189 93.012 85.427 78.346 71.697 65.414 59.436 48.199 46.026 43.868 41.722 39.583 37.445 35.305 33.157 30.999 28.825 26.636 24.430 22.211 19.984 17.756 15.536 13.337 11.169 99999.999 99999.999 99999.999 207.422 187.774 170.668 155.668 142.393 130.538 119.860 110.164 101.295 93.124 85.547 78.477 71.842 65.579 59.628 48.452 46.300 44.167 42.048 39.941 37.841 35.744 33.647 31.546 29.438 27.323 25.200 23.070 20.936 18.804 16.680 14.572 12.489 10.441 99999.999 99999.999 207.550 187.891 170.777 155.772 142.494 130.637 119.959 110.265 101.399 93.234 85.664 78.604 71.983 65.736 59.808 48.693 46.559 44.446 42.352 40.272 38.203 36.142 34.085 32.031 29.977 27.920 25.862 23.802 21.743 19.687 17.641 15.609 13.598 11.617 9.672 7.771 207.676 188.006 170.885 155.875 142.594 130.735 120.057 110.365 101.502 93.342 85.780 78.729 72.120 65.889 59.980 48.922 46.804 44.709 42.636 40.579 38.537 36.506 34.484 32.469 30.458 28.449 26.443 24.440 22.441 20.448 18.465 16.496 14.547 12.623 10.730 8.875 208.903 189.127 171.934 156.873 143.557 131.678 120.994 111.311 102.473 94.352 86.845 79.868 73.349 67.230 61.459 50.786 48.770 46.787 44.836 42.915 41.021 39.154 37.312 35.493 33.695 31.918 30.161 28.423 26.703 25.001 23.317 21.650 20.002 18.371 16.759 15.167 210.067 190.192 172.929 157.816 144.464 132.562 121.866 112.183 103.357 95.260 87.788 80.858 74.397 68.349 62.662 52.205 50.241 48.314 46.423 44.565 42.740 40.945 39.180 37.442 35.731 34.044 32.382 30.743 29.126 27.531 25.956 24.401 22.866 21.350 19.852 18.373 211.183 191.211 173.879 158.717 145.327 133.399 122.688 112.999 104.176 96.092 88.644 81.745 75.325 69.325 63.695 53.379 51.448 49.557 47.702 45.884 44.099 42.348 40.627 38.936 37.274 35.639 34.030 32.446 30.886 29.349 27.834 26.341 24.869 23.416 21.983 20.568 212.259 192.193 174.794 159.581 146.154 134.199 123.469 113.771 104.946 96.868 89.434 82.556 76.165 70.199 64.610 54.395 52.487 50.619 48.790 46.998 45.242 43.519 41.828 40.168 38.538 36.937 35.363 33.814 32.291 30.792 29.316 27.863 26.431 25.020 23.628 22.256 213.303 193.145 175.679 160.415 146.951 134.967 124.218 114.506 105.676 97.599 90.172 83.309 76.938 70.998 65.438 55.297 53.406 51.557 49.746 47.973 46.236 44.534 42.865 41.227 39.620 38.043 36.493 34.970 33.472 32.000 30.551 29.125 27.721 26.339 24.977 23.634 214.323 194.071 176.538 161.224 147.722 135.709 124.938 115.212 106.373 98.294 90.870 84.016 77.658 71.736 66.200 56.115 54.236 52.400 50.603 48.845 47.123 45.436 43.783 42.162 40.572 39.012 37.480 35.975 34.497 33.044 31.615 30.209 28.826 27.465 26.124 24.803 215.321 194.977 177.375 162.012 148.470 136.429 125.635 115.893 107.043 98.959 91.535 84.684 78.335 72.427 66.907 56.865 54.996 53.170 51.384 49.637 47.927 46.252 44.611 43.002 41.425 39.878 38.360 36.869 35.405 33.967 32.553 31.163 29.795 28.449 27.124 25.820 99999.999 195.865 178.195 162.780 149.200 137.128 126.312 116.552 107.690 99.598 92.171 85.322 78.978 73.078 67.571 57.561 55.700 53.882 52.104 50.366 48.664 46.999 45.367 43.769 42.201 40.665 39.157 37.677 36.224 34.797 33.395 32.016 30.660 29.326 28.014 26.721 platinum Pt P-T:All Wt.(g/mol) = 195.090 V(cc/mol) = 9.090 D(g/cc) = 21.462 Ref: Shock07 4 -2.000 1 -0.500 31 1.000 40 1.000 2 -1.776 -2.152 -2.504 -2.827 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.776 -2.152 -2.504 -2.827 -3.123 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.776 -2.151 -2.503 -2.826 -3.123 -3.399 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.774 -2.150 -2.502 -2.825 -3.122 -3.398 -3.661 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.772 -2.148 -2.500 -2.823 -3.120 -3.396 -3.659 -3.912 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.769 -2.144 -2.497 -2.820 -3.117 -3.393 -3.656 -3.909 -4.158 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.764 -2.139 -2.492 -2.815 -3.112 -3.389 -3.651 -3.904 -4.153 -4.402 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.757 -2.132 -2.485 -2.809 -3.106 -3.382 -3.645 -3.897 -4.145 -4.394 -4.653 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.747 -2.123 -2.476 -2.800 -3.097 -3.374 -3.636 -3.888 -4.135 -4.383 -4.640 -4.916 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.734 -2.110 -2.464 -2.788 -3.085 -3.362 -3.624 -3.875 -4.122 -4.369 -4.623 -4.895 -5.190 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.716 -2.093 -2.448 -2.772 -3.070 -3.347 -3.608 -3.859 -4.105 -4.350 -4.601 -4.868 -5.157 -5.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.695 -2.072 -2.427 -2.752 -3.050 -3.327 -3.588 -3.839 -4.083 -4.326 -4.574 -4.834 -5.115 -5.420 -5.704 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.678 -2.055 -2.411 -2.737 -3.035 -3.312 -3.573 -3.823 -4.067 -4.308 -4.553 -4.809 -5.083 -5.382 -5.722 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.654 -2.032 -2.389 -2.715 -3.014 -3.291 -3.552 -3.801 -4.043 -4.283 -4.524 -4.774 -5.038 -5.326 -5.677 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.631 -2.009 -2.367 -2.694 -2.993 -3.270 -3.531 -3.779 -4.020 -4.258 -4.496 -4.740 -4.995 -5.270 -5.609 -3.316 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.608 -1.987 -2.345 -2.672 -2.972 -3.250 -3.510 -3.758 -3.998 -4.234 -4.469 -4.707 -4.954 -5.215 -5.534 -4.784 -4.155 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.585 -1.965 -2.323 -2.652 -2.952 -3.229 -3.490 -3.737 -3.976 -4.210 -4.442 -4.676 -4.914 -5.164 -5.459 -5.119 -4.898 -4.508 -3.957 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.563 -1.943 -2.302 -2.631 -2.932 -3.210 -3.469 -3.716 -3.954 -4.187 -4.416 -4.646 -4.877 -5.116 -5.388 -5.254 -5.162 -4.993 -4.725 -4.368 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.541 -1.921 -2.281 -2.611 -2.912 -3.190 -3.450 -3.696 -3.933 -4.164 -4.391 -4.617 -4.842 -5.070 -5.323 -5.319 -5.284 -5.208 -5.076 -4.882 -4.635 -4.371 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.520 -1.900 -2.261 -2.591 -2.892 -3.170 -3.430 -3.676 -3.912 -4.142 -4.367 -4.589 -4.809 -5.028 -5.263 -5.350 -5.347 -5.317 -5.255 -5.152 -5.008 -4.829 -4.635 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.499 -1.879 -2.240 -2.571 -2.873 -3.151 -3.411 -3.657 -3.892 -4.120 -4.344 -4.563 -4.778 -4.990 -5.209 -5.363 -5.379 -5.377 -5.353 -5.303 -5.223 -5.114 -4.980 -4.834 -4.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.478 -1.858 -2.220 -2.551 -2.854 -3.133 -3.392 -3.637 -3.872 -4.099 -4.321 -4.537 -4.748 -4.954 -5.160 -5.365 -5.393 -5.408 -5.408 -5.390 -5.351 -5.289 -5.206 -5.104 -4.992 -4.878 -4.770 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.457 -1.837 -2.200 -2.532 -2.835 -3.114 -3.373 -3.618 -3.852 -4.078 -4.298 -4.512 -4.720 -4.921 -5.118 -5.360 -5.396 -5.423 -5.439 -5.442 -5.429 -5.399 -5.352 -5.288 -5.210 -5.122 -5.030 -4.939 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.437 -1.817 -2.180 -2.513 -2.817 -3.096 -3.355 -3.599 -3.833 -4.058 -4.276 -4.489 -4.694 -4.891 -5.080 -5.350 -5.392 -5.428 -5.454 -5.471 -5.476 -5.468 -5.447 -5.411 -5.362 -5.301 -5.232 -5.157 -5.080 -5.001 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -1.417 -1.797 -2.161 -2.494 -2.798 -3.077 -3.337 -3.581 -3.814 -4.038 -4.255 -4.466 -4.669 -4.863 -5.048 -5.337 -5.384 -5.425 -5.459 -5.486 -5.504 -5.511 -5.508 -5.493 -5.467 -5.430 -5.383 -5.327 -5.266 -5.200 -5.130 99999.999 99999.999 99999.999 99999.999 99999.999 -1.397 -1.777 -2.142 -2.476 -2.780 -3.059 -3.319 -3.563 -3.795 -4.018 -4.234 -4.444 -4.645 -4.837 -5.019 -5.321 -5.372 -5.417 -5.457 -5.491 -5.518 -5.537 -5.547 -5.548 -5.539 -5.521 -5.493 -5.456 -5.412 -5.361 -5.304 -5.242 -5.175 99999.999 99999.999 99999.999 -1.378 -1.758 -2.123 -2.457 -2.762 -3.042 -3.301 -3.545 -3.776 -3.999 -4.214 -4.422 -4.622 -4.813 -4.993 -5.304 -5.357 -5.406 -5.451 -5.490 -5.524 -5.551 -5.571 -5.584 -5.588 -5.584 -5.572 -5.551 -5.523 -5.487 -5.445 -5.396 -5.341 -5.280 99999.999 99999.999 -1.359 -1.739 -2.104 -2.439 -2.744 -3.024 -3.284 -3.527 -3.758 -3.980 -4.194 -4.401 -4.600 -4.790 -4.969 -5.286 -5.341 -5.392 -5.440 -5.484 -5.522 -5.556 -5.584 -5.605 -5.620 -5.628 -5.628 -5.621 -5.606 -5.584 -5.556 -5.520 -5.479 -5.430 -5.375 -5.313 -1.340 -1.720 -2.085 -2.421 -2.727 -3.007 -3.266 -3.510 -3.740 -3.961 -4.175 -4.380 -4.579 -4.768 -4.947 -5.267 -5.323 -5.377 -5.427 -5.474 -5.517 -5.555 -5.588 -5.617 -5.640 -5.656 -5.667 -5.670 -5.668 -5.658 -5.642 -5.619 -5.590 -5.554 -5.511 -5.462 -1.163 -1.540 -1.910 -2.250 -2.560 -2.843 -3.104 -3.346 -3.573 -3.788 -3.994 -4.192 -4.382 -4.564 -4.739 -5.063 -5.124 -5.184 -5.243 -5.300 -5.356 -5.411 -5.464 -5.517 -5.567 -5.617 -5.664 -5.710 -5.754 -5.797 -5.837 -5.875 -5.911 -5.945 -5.976 -6.005 -1.006 -1.377 -1.749 -2.094 -2.408 -2.695 -2.957 -3.199 -3.424 -3.636 -3.837 -4.028 -4.211 -4.387 -4.555 -4.871 -4.931 -4.990 -5.048 -5.105 -5.162 -5.218 -5.273 -5.327 -5.380 -5.433 -5.486 -5.537 -5.588 -5.639 -5.689 -5.738 -5.786 -5.834 -5.882 -5.928 -0.865 -1.227 -1.601 -1.949 -2.267 -2.557 -2.821 -3.064 -3.288 -3.498 -3.695 -3.882 -4.060 -4.230 -4.393 -4.698 -4.756 -4.813 -4.869 -4.925 -4.980 -5.034 -5.088 -5.141 -5.193 -5.245 -5.297 -5.348 -5.399 -5.449 -5.500 -5.550 -5.599 -5.649 -5.698 -5.748 -0.736 -1.087 -1.462 -1.814 -2.135 -2.428 -2.694 -2.939 -3.163 -3.372 -3.567 -3.751 -3.924 -4.090 -4.247 -4.542 -4.598 -4.654 -4.708 -4.762 -4.815 -4.867 -4.919 -4.970 -5.020 -5.071 -5.120 -5.170 -5.219 -5.268 -5.317 -5.365 -5.413 -5.462 -5.510 -5.558 -0.616 -0.956 -1.331 -1.685 -2.011 -2.306 -2.575 -2.821 -3.047 -3.255 -3.448 -3.630 -3.800 -3.962 -4.116 -4.402 -4.456 -4.510 -4.562 -4.614 -4.665 -4.716 -4.765 -4.815 -4.864 -4.912 -4.960 -5.007 -5.054 -5.101 -5.148 -5.195 -5.241 -5.287 -5.333 -5.380 -0.504 -0.832 -1.206 -1.564 -1.892 -2.191 -2.462 -2.710 -2.936 -3.145 -3.338 -3.518 -3.686 -3.845 -3.995 -4.274 -4.327 -4.378 -4.429 -4.480 -4.529 -4.578 -4.626 -4.674 -4.721 -4.767 -4.814 -4.859 -4.905 -4.950 -4.995 -5.039 -5.084 -5.128 -5.172 -5.216 -0.399 -0.713 -1.087 -1.447 -1.778 -2.080 -2.354 -2.604 -2.831 -3.041 -3.234 -3.412 -3.579 -3.736 -3.883 -4.156 -4.208 -4.258 -4.308 -4.357 -4.405 -4.452 -4.499 -4.545 -4.591 -4.636 -4.680 -4.724 -4.768 -4.812 -4.855 -4.898 -4.941 -4.983 -5.026 -5.068 99999.999 -0.599 -0.972 -1.335 -1.669 -1.973 -2.250 -2.502 -2.731 -2.941 -3.135 -3.313 -3.479 -3.634 -3.779 -4.047 -4.098 -4.147 -4.195 -4.243 -4.290 -4.336 -4.382 -4.427 -4.471 -4.515 -4.558 -4.601 -4.643 -4.685 -4.727 -4.769 -4.810 -4.851 -4.892 -4.933 platinum Pt P-T:All Wt.(g/mol) = 195.090 V(cc/mol) = 9.090 D(g/cc) = 21.462 Ref: Shock07 5 -2.250 1 -0.250 4 1.000 40 0.250 6 1.000 2 -39.801 -36.731 -34.114 -31.855 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -39.801 -36.731 -34.114 -31.855 -29.886 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -39.801 -36.731 -34.113 -31.855 -29.885 -28.154 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -39.800 -36.730 -34.113 -31.854 -29.885 -28.153 -26.621 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -39.799 -36.729 -34.112 -31.853 -29.884 -28.153 -26.620 -25.256 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -39.798 -36.728 -34.111 -31.852 -29.883 -28.151 -26.619 -25.255 -24.035 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -39.796 -36.726 -34.109 -31.850 -29.881 -28.149 -26.617 -25.253 -24.033 -22.938 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -39.793 -36.723 -34.106 -31.847 -29.878 -28.146 -26.614 -25.249 -24.029 -22.935 -21.952 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -39.790 -36.719 -34.102 -31.844 -29.874 -28.143 -26.610 -25.245 -24.024 -22.929 -21.946 -21.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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-48.832 -47.764 -47.019 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -81.850 -75.436 -70.147 -65.724 -61.988 -58.813 -56.103 -53.790 -51.819 -50.156 -48.780 -47.692 -46.912 -46.505 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -81.818 -75.410 -70.124 -65.701 -61.964 -58.787 -56.074 -53.756 -51.779 -50.106 -48.716 -47.603 -46.783 -46.308 -46.378 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -81.794 -75.390 -70.105 -65.683 -61.946 -58.767 -56.052 -53.730 -51.748 -50.068 -48.668 -47.537 -46.688 -46.165 -46.165 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -81.760 -75.362 -70.080 -65.658 -61.919 -58.738 -56.020 -53.694 -51.706 -50.016 -48.601 -47.447 -46.559 -45.972 -45.857 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -81.726 -75.335 -70.054 -65.633 -61.894 -58.711 -55.989 -53.658 -51.664 -49.966 -48.537 -47.362 -46.439 -45.793 -45.569 -43.229 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -81.693 -75.308 -70.030 -65.608 -61.869 -58.683 -55.959 -53.624 -51.623 -49.917 -48.476 -47.281 -46.326 -45.629 -45.304 -43.504 -43.236 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -81.661 -75.282 -70.005 -65.584 -61.844 -58.657 -55.929 -53.590 -51.584 -49.870 -48.417 -47.204 -46.221 -45.477 -45.062 -43.466 -43.276 -43.109 -43.127 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -81.630 -75.256 -69.981 -65.561 -61.819 -58.631 -55.900 -53.557 -51.546 -49.824 -48.360 -47.131 -46.123 -45.338 -44.843 -43.361 -43.196 -43.045 -42.933 -42.937 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -81.600 -75.231 -69.958 -65.538 -61.795 -58.605 -55.872 -53.525 -51.508 -49.780 -48.306 -47.062 -46.031 -45.209 -44.645 -43.241 -43.081 -42.938 -42.817 -42.737 -42.743 -42.898 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -81.570 -75.206 -69.935 -65.515 -61.772 -58.580 -55.844 -53.493 -51.472 -49.737 -48.254 -46.996 -45.945 -45.091 -44.467 -43.119 -42.957 -42.813 -42.689 -42.591 -42.534 -42.541 -42.647 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -81.540 -75.181 -69.912 -65.492 -61.749 -58.555 -55.817 -53.462 -51.436 -49.695 -48.203 -46.933 -45.864 -44.983 -44.308 -43.000 -42.833 -42.685 -42.557 -42.450 -42.369 -42.326 -42.334 -42.410 -42.570 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -81.512 -75.157 -69.890 -65.470 -61.726 -58.531 -55.790 -53.432 -51.402 -49.654 -48.155 -46.874 -45.789 -44.884 -44.167 -42.886 -42.713 -42.559 -42.425 -42.310 -42.217 -42.151 -42.116 -42.123 -42.180 -42.293 -42.461 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -81.484 -75.134 -69.868 -65.448 -61.703 -58.507 -55.764 -53.403 -51.368 -49.615 -48.108 -46.817 -45.718 -44.793 -44.041 -42.776 -42.597 -42.437 -42.296 -42.174 -42.072 -41.991 -41.935 -41.906 -41.911 -41.952 -42.032 -42.150 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -81.456 -75.110 -69.846 -65.427 -61.681 -58.483 -55.738 -53.374 -51.335 -49.576 -48.062 -46.762 -45.652 -44.710 -43.930 -42.670 -42.485 -42.319 -42.172 -42.043 -41.933 -41.841 -41.771 -41.722 -41.697 -41.698 -41.727 -41.783 -41.864 -41.964 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -81.429 -75.088 -69.825 -65.406 -61.660 -58.460 -55.712 -53.345 -51.302 -49.539 -48.018 -46.710 -45.589 -44.634 -43.832 -42.568 -42.378 -42.206 -42.052 -41.917 -41.799 -41.699 -41.617 -41.554 -41.511 -41.488 -41.485 -41.503 -41.541 -41.594 -41.659 99999.999 99999.999 99999.999 99999.999 99999.999 -81.403 -75.065 -69.804 -65.385 -61.638 -58.437 -55.687 -53.317 -51.270 -49.502 -47.976 -46.660 -45.530 -44.563 -43.744 -42.471 -42.275 -42.097 -41.938 -41.796 -41.671 -41.563 -41.472 -41.399 -41.342 -41.303 -41.280 -41.274 -41.283 -41.305 -41.337 -41.375 -41.415 99999.999 99999.999 99999.999 -81.377 -75.043 -69.783 -65.365 -61.617 -58.415 -55.663 -53.290 -51.239 -49.466 -47.934 -46.612 -45.474 -44.497 -43.665 -42.377 -42.176 -41.993 -41.828 -41.679 -41.548 -41.433 -41.335 -41.252 -41.185 -41.134 -41.097 -41.074 -41.064 -41.065 -41.075 -41.090 -41.108 -41.125 99999.999 99999.999 -81.352 -75.022 -69.763 -65.344 -61.596 -58.393 -55.639 -53.263 -51.209 -49.431 -47.894 -46.565 -45.420 -44.435 -43.593 -42.286 -42.081 -41.893 -41.722 -41.568 -41.430 -41.309 -41.203 -41.113 -41.037 -40.976 -40.928 -40.893 -40.870 -40.856 -40.850 -40.850 -40.852 -40.855 -40.854 -40.846 -81.328 -75.000 -69.743 -65.325 -61.576 -58.371 -55.615 -53.236 -51.179 -49.397 -47.854 -46.520 -45.368 -44.375 -43.525 -42.199 -41.989 -41.796 -41.620 -41.460 -41.317 -41.190 -41.077 -40.980 -40.897 -40.828 -40.771 -40.726 -40.692 -40.667 -40.650 -40.639 -40.630 -40.623 -40.613 -40.599 -81.107 -74.806 -69.558 -65.140 -61.386 -58.169 -55.397 -52.995 -50.907 -49.089 -47.504 -46.121 -44.914 -43.861 -42.944 -41.462 -41.217 -40.986 -40.771 -40.571 -40.385 -40.212 -40.053 -39.907 -39.773 -39.651 -39.540 -39.441 -39.351 -39.272 -39.201 -39.138 -39.083 -39.035 -38.992 -38.955 -80.929 -74.641 -69.397 -64.978 -61.218 -57.993 -55.206 -52.787 -50.677 -48.831 -47.213 -45.793 -44.545 -43.448 -42.484 -40.895 -40.625 -40.370 -40.129 -39.902 -39.688 -39.487 -39.299 -39.122 -38.957 -38.804 -38.661 -38.528 -38.406 -38.294 -38.190 -38.096 -38.010 -37.933 -37.863 -37.800 -80.783 -74.500 -69.257 -64.835 -61.069 -57.835 -55.038 -52.604 -50.476 -48.608 -46.965 -45.516 -44.236 -43.105 -42.103 -40.433 -40.146 -39.873 -39.613 -39.367 -39.133 -38.912 -38.703 -38.505 -38.318 -38.142 -37.976 -37.821 -37.675 -37.538 -37.411 -37.293 -37.183 -37.082 -36.989 -36.903 -80.663 -74.378 -69.132 -64.707 -60.936 -57.694 -54.887 -52.441 -50.298 -48.413 -46.749 -45.276 -43.971 -42.811 -41.780 -40.045 -39.744 -39.457 -39.183 -38.922 -38.673 -38.437 -38.211 -37.997 -37.794 -37.601 -37.418 -37.245 -37.082 -36.927 -36.782 -36.645 -36.517 -36.397 -36.285 -36.180 -80.565 -74.272 -69.022 -64.592 -60.814 -57.566 -54.750 -52.293 -50.138 -48.238 -46.557 -45.065 -43.738 -42.556 -41.500 -39.712 -39.399 -39.101 -38.816 -38.543 -38.282 -38.033 -37.795 -37.569 -37.352 -37.146 -36.950 -36.763 -36.586 -36.418 -36.258 -36.107 -35.964 -35.829 -35.702 -35.583 -80.484 -74.179 -68.923 -64.487 -60.704 -57.448 -54.625 -52.159 -49.993 -48.081 -46.386 -44.878 -43.533 -42.330 -41.254 -39.421 -39.100 -38.792 -38.496 -38.214 -37.943 -37.684 -37.436 -37.199 -36.972 -36.756 -36.549 -36.351 -36.162 -35.983 -35.812 -35.649 -35.495 -35.348 -35.209 -35.078 -80.417 -74.097 -68.834 -64.393 -60.603 -57.341 -54.510 -52.036 -49.860 -47.937 -46.230 -44.709 -43.348 -42.130 -41.035 -39.165 -38.835 -38.519 -38.216 -37.925 -37.646 -37.379 -37.122 -36.876 -36.641 -36.415 -36.199 -35.993 -35.795 -35.606 -35.426 -35.254 -35.090 -34.934 -34.785 -34.644 99999.999 -74.024 -68.754 -64.306 -60.511 -57.242 -54.404 -51.922 -49.738 -47.806 -46.088 -44.555 -43.182 -41.949 -40.839 -38.936 -38.599 -38.277 -37.966 -37.669 -37.383 -37.108 -36.844 -36.591 -36.348 -36.115 -35.892 -35.678 -35.473 -35.276 -35.088 -34.908 -34.736 -34.572 -34.416 -34.267 PtS2(s) PtS2 P-T:All Wt.(g/mol) = 259.220 V(cc/mol) = 32.746 D(g/cc) = 7.916 Ref: Shock07 5 -1.000 2 -3.500 31 1.000 40 2.000 4 2.000 1 184.235 166.547 151.056 137.411 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 184.235 166.547 151.056 137.411 125.280 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 184.238 166.551 151.060 137.414 125.283 114.397 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 184.246 166.558 151.066 137.420 125.289 114.403 104.540 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 184.258 166.569 151.076 137.430 125.299 114.413 104.550 95.531 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 184.277 166.587 151.093 137.446 125.315 114.429 104.566 95.548 87.223 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 184.306 166.613 151.118 137.470 125.339 114.453 104.591 95.575 87.252 79.485 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 184.348 166.651 151.154 137.505 125.373 114.487 104.626 95.612 87.292 79.532 72.191 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 184.406 166.704 151.204 137.553 125.420 114.534 104.675 95.663 87.348 79.595 72.268 65.215 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 184.482 166.774 151.270 137.617 125.482 114.597 104.739 95.731 87.422 79.679 72.369 65.348 58.424 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 184.582 166.866 151.356 137.699 125.564 114.678 104.823 95.819 87.517 79.787 72.498 65.515 58.665 51.640 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 184.711 166.983 151.467 137.806 125.668 114.782 104.929 95.931 87.639 79.923 72.660 65.722 58.955 52.109 44.391 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 184.810 167.074 151.553 137.888 125.748 114.863 105.011 96.017 87.731 80.026 72.782 65.876 59.167 52.435 45.080 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 184.951 167.204 151.674 138.005 125.863 114.977 105.128 96.139 87.862 80.172 72.952 66.089 59.453 52.861 45.857 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 185.091 167.332 151.795 138.121 125.976 115.090 105.243 96.258 87.990 80.314 73.117 66.291 59.720 53.247 46.507 31.452 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 185.230 167.459 151.915 138.236 126.088 115.201 105.357 96.376 88.116 80.452 73.276 66.484 59.971 53.599 47.072 34.929 31.142 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 185.368 167.586 152.034 138.349 126.199 115.312 105.469 96.493 88.239 80.587 73.430 66.669 60.207 53.924 47.575 36.064 33.221 29.913 25.762 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 185.505 167.711 152.151 138.462 126.309 115.421 105.579 96.607 88.361 80.720 73.579 66.847 60.431 54.223 48.025 36.801 34.259 31.533 28.500 24.990 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 185.641 167.835 152.268 138.574 126.418 115.529 105.689 96.720 88.480 80.849 73.725 67.018 60.641 54.501 48.431 37.370 34.982 32.502 29.877 27.037 23.894 20.388 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 185.776 167.959 152.384 138.685 126.526 115.636 105.797 96.832 88.597 80.976 73.866 67.182 60.841 54.759 48.798 37.845 35.553 33.211 30.791 28.258 25.568 22.676 19.552 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 185.910 168.081 152.499 138.795 126.633 115.742 105.903 96.941 88.713 81.100 74.004 67.340 61.031 54.999 49.130 38.258 36.033 33.782 31.487 29.127 26.679 24.115 21.411 18.556 15.558 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 186.043 168.203 152.613 138.904 126.739 115.847 106.009 97.050 88.827 81.222 74.138 67.493 61.212 55.223 49.430 38.626 36.452 34.266 32.056 29.808 27.508 25.140 22.686 20.135 17.483 14.741 11.929 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 186.175 168.324 152.726 139.012 126.844 115.951 106.114 97.157 88.939 81.342 74.269 67.640 61.384 55.431 49.703 38.960 36.827 34.691 32.543 30.375 28.175 25.934 23.641 21.285 18.864 16.376 13.832 11.249 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 186.306 168.444 152.839 139.120 126.949 116.054 106.217 97.263 89.049 81.459 74.397 67.783 61.548 55.627 49.951 39.269 37.168 35.072 32.972 30.863 28.737 26.586 24.404 22.182 19.917 17.607 15.256 12.873 10.473 8.071 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 186.436 168.563 152.951 139.226 127.052 116.156 106.320 97.368 89.158 81.575 74.523 67.922 61.705 55.811 50.178 39.555 37.482 35.418 33.358 31.296 29.226 27.143 25.041 22.915 20.762 18.580 16.370 14.137 11.889 9.638 7.398 99999.999 99999.999 99999.999 99999.999 99999.999 186.566 168.681 153.062 139.332 127.155 116.257 106.421 97.471 89.266 81.689 74.645 68.057 61.856 55.985 50.385 39.824 37.775 35.738 33.710 31.685 29.660 27.630 25.590 23.537 21.468 19.381 17.276 15.156 13.027 10.894 8.770 6.663 4.587 99999.999 99999.999 99999.999 186.694 168.799 153.172 139.437 127.257 116.357 106.521 97.574 89.372 81.801 74.765 68.188 62.002 56.150 50.578 40.077 38.048 36.036 34.035 32.042 30.054 28.066 26.076 24.079 22.075 20.061 18.037 16.004 13.967 11.929 9.898 7.881 5.889 3.929 99999.999 99999.999 186.822 168.915 153.281 139.541 127.358 116.457 106.621 97.675 89.477 81.911 74.884 68.316 62.143 56.308 50.759 40.317 38.307 36.314 34.337 32.371 30.414 28.461 26.511 24.561 22.609 20.652 18.692 16.729 14.764 12.802 10.847 8.905 6.983 5.089 3.229 1.412 186.949 169.032 153.390 139.645 127.458 116.555 106.719 97.775 89.580 82.020 75.000 68.442 62.281 56.461 50.931 40.546 38.552 36.577 34.620 32.678 30.747 28.824 26.908 24.996 23.086 21.177 19.268 17.360 15.455 13.554 11.661 9.781 7.919 6.081 4.272 2.500 188.178 170.156 154.442 140.646 128.425 117.502 107.661 98.725 90.555 83.034 76.070 69.585 63.515 57.807 52.414 42.413 40.519 38.655 36.819 35.011 33.227 31.466 29.728 28.010 26.311 24.630 22.967 21.320 19.689 18.075 16.475 14.892 13.325 11.774 10.240 8.724 189.343 171.223 155.440 141.593 129.335 118.389 108.536 99.601 91.442 83.945 77.016 70.578 64.567 58.930 53.620 43.835 41.993 40.185 38.409 36.664 34.948 33.259 31.597 29.960 28.346 26.755 25.186 23.637 22.109 20.600 19.109 17.636 16.181 14.743 13.322 11.917 190.459 172.244 156.392 142.495 130.201 119.229 109.360 100.419 92.264 84.781 77.875 71.469 65.498 59.909 54.657 45.013 43.204 41.431 39.692 37.985 36.310 34.664 33.047 31.456 29.892 28.352 26.835 25.342 23.870 22.419 20.988 19.577 18.184 16.809 15.452 14.112 191.535 173.227 157.309 143.362 131.029 120.031 110.144 101.193 93.036 85.559 78.667 72.283 66.341 60.787 55.575 46.031 44.246 42.497 40.783 39.103 37.456 35.839 34.251 32.692 31.159 29.653 28.171 26.713 25.278 23.865 22.473 21.101 19.748 18.415 17.100 15.802 192.580 174.179 158.194 144.197 131.828 120.801 110.894 101.930 93.768 86.292 79.408 73.038 67.116 61.587 56.406 46.937 45.168 43.437 41.742 40.081 38.453 36.857 35.291 33.754 32.244 30.761 29.304 27.871 26.462 25.075 23.710 22.366 21.042 19.737 18.451 17.183 193.598 175.106 159.054 145.007 132.600 121.544 111.616 102.637 94.467 86.989 80.108 73.746 67.838 62.328 57.170 47.756 46.001 44.283 42.602 40.955 39.343 37.762 36.212 34.691 33.199 31.733 30.294 28.880 27.489 26.122 24.777 23.453 22.149 20.866 19.601 18.354 194.595 176.011 159.892 145.795 133.349 122.264 112.314 103.319 95.138 87.655 80.774 74.417 68.518 63.021 57.879 48.509 46.763 45.056 43.385 41.750 40.149 38.580 37.042 35.534 34.054 32.602 31.177 29.777 28.401 27.048 25.718 24.409 23.121 21.853 20.604 19.374 99999.999 176.900 160.712 146.564 134.080 122.965 112.991 103.979 95.786 88.295 81.411 75.056 69.162 63.674 58.545 49.207 47.469 45.769 44.107 42.481 40.888 39.329 37.800 36.302 34.833 33.391 31.976 30.587 29.222 27.881 26.562 25.265 23.989 22.733 21.496 20.278 potassium-oxide K2O P-T:All Wt.(g/mol) = 94.200 V(cc/mol) = 40.380 D(g/cc) = 2.333 Ref: Shock07 3 2.000 12 1.000 2 -2.000 1 90.879 84.040 78.260 73.314 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.879 84.040 78.260 73.314 69.037 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.879 84.041 78.260 73.314 69.037 65.301 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.879 84.041 78.260 73.314 69.037 65.301 62.010 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.880 84.041 78.260 73.315 69.037 65.301 62.010 59.087 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.881 84.042 78.260 73.315 69.037 65.301 62.010 59.087 56.474 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.882 84.042 78.261 73.315 69.037 65.301 62.010 59.087 56.475 54.123 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.884 84.043 78.261 73.315 69.038 65.301 62.010 59.088 56.475 54.124 51.994 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.887 84.045 78.262 73.316 69.038 65.302 62.010 59.088 56.475 54.124 51.995 50.054 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.890 84.046 78.263 73.316 69.038 65.302 62.010 59.088 56.475 54.125 51.996 50.056 48.275 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.895 84.049 78.264 73.317 69.039 65.302 62.010 59.088 56.476 54.125 51.997 50.058 48.280 46.636 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.900 84.051 78.266 73.318 69.039 65.302 62.011 59.088 56.476 54.126 51.999 50.061 48.285 46.645 45.112 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.904 84.053 78.267 73.319 69.039 65.302 62.011 59.089 56.477 54.127 52.000 50.063 48.289 46.651 45.120 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.910 84.056 78.268 73.319 69.040 65.303 62.011 59.089 56.477 54.127 52.001 50.066 48.294 46.660 45.134 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.915 84.058 78.270 73.320 69.040 65.303 62.011 59.089 56.477 54.128 52.002 50.068 48.298 46.668 45.149 42.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.920 84.061 78.271 73.320 69.040 65.302 62.010 59.089 56.477 54.128 52.003 50.070 48.302 46.675 45.162 42.604 42.143 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.925 84.063 78.271 73.321 69.040 65.302 62.010 59.088 56.477 54.128 52.004 50.072 48.305 46.681 45.174 42.591 42.119 41.663 41.206 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.929 84.065 78.272 73.321 69.040 65.302 62.010 59.088 56.477 54.129 52.005 50.073 48.308 46.687 45.184 42.587 42.111 41.650 41.201 40.758 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.933 84.066 78.273 73.321 69.040 65.302 62.009 59.088 56.477 54.129 52.005 50.075 48.311 46.691 45.194 42.586 42.108 41.644 41.194 40.756 40.324 39.893 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.936 84.068 78.273 73.321 69.039 65.301 62.009 59.087 56.476 54.129 52.006 50.076 48.313 46.695 45.202 42.586 42.107 41.642 41.190 40.751 40.323 39.903 39.487 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.940 84.069 78.274 73.321 69.039 65.301 62.008 59.087 56.476 54.128 52.006 50.077 48.315 46.699 45.208 42.587 42.107 41.641 41.189 40.749 40.322 39.904 39.495 39.092 38.693 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.943 84.070 78.274 73.320 69.038 65.300 62.008 59.086 56.475 54.128 52.006 50.077 48.316 46.702 45.214 42.588 42.108 41.642 41.189 40.749 40.321 39.904 39.497 39.099 38.707 38.322 37.942 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.946 84.071 78.274 73.320 69.038 65.299 62.007 59.085 56.475 54.128 52.006 50.078 48.318 46.704 45.218 42.590 42.109 41.643 41.189 40.749 40.321 39.904 39.497 39.101 38.713 38.333 37.960 37.593 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.948 84.072 78.274 73.320 69.037 65.298 62.006 59.085 56.474 54.127 52.006 50.078 48.318 46.706 45.221 42.591 42.110 41.644 41.190 40.750 40.321 39.904 39.498 39.102 38.716 38.338 37.969 37.607 37.252 36.904 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 90.951 84.072 78.274 73.319 69.036 65.298 62.005 59.084 56.474 54.127 52.005 50.078 48.319 46.707 45.224 42.592 42.112 41.645 41.191 40.751 40.322 39.905 39.499 39.103 38.718 38.341 37.974 37.614 37.263 36.918 36.582 99999.999 99999.999 99999.999 99999.999 99999.999 90.953 84.073 78.273 73.318 69.036 65.297 62.004 59.083 56.473 54.126 52.005 50.078 48.319 46.708 45.226 42.593 42.113 41.646 41.193 40.752 40.323 39.906 39.500 39.105 38.719 38.344 37.977 37.619 37.269 36.927 36.593 36.266 35.947 99999.999 99999.999 99999.999 90.955 84.073 78.273 73.318 69.035 65.296 62.003 59.082 56.472 54.126 52.005 50.078 48.320 46.709 45.227 42.594 42.114 41.647 41.194 40.753 40.325 39.907 39.501 39.106 38.721 38.345 37.979 37.622 37.273 36.932 36.600 36.275 35.957 35.647 99999.999 99999.999 90.956 84.073 78.273 73.317 69.034 65.295 62.002 59.081 56.471 54.125 52.004 50.078 48.320 46.709 45.228 42.595 42.115 41.649 41.195 40.754 40.326 39.909 39.503 39.108 38.722 38.347 37.981 37.624 37.276 36.936 36.604 36.280 35.964 35.655 35.354 35.060 90.958 84.073 78.272 73.316 69.033 65.294 62.001 59.080 56.470 54.124 52.004 50.077 48.320 46.709 45.228 42.596 42.116 41.650 41.196 40.756 40.327 39.910 39.504 39.109 38.724 38.349 37.983 37.626 37.278 36.939 36.607 36.284 35.968 35.660 35.360 35.066 90.961 84.067 78.261 73.303 69.019 65.280 61.988 59.067 56.458 54.114 51.995 50.071 48.315 46.707 45.229 42.602 42.122 41.657 41.205 40.765 40.337 39.921 39.516 39.122 38.738 38.363 37.999 37.643 37.296 36.957 36.627 36.304 35.989 35.681 35.381 35.087 90.948 84.050 78.243 73.285 69.001 65.262 61.970 59.051 56.443 54.100 51.982 50.060 48.306 46.700 45.223 42.600 42.122 41.657 41.206 40.767 40.341 39.925 39.521 39.128 38.745 38.372 38.008 37.653 37.307 36.969 36.639 36.317 36.003 35.696 35.395 35.102 90.923 84.025 78.220 73.262 68.979 65.241 61.950 59.031 56.425 54.083 51.967 50.046 48.294 46.689 45.214 42.595 42.117 41.653 41.203 40.765 40.339 39.925 39.521 39.129 38.746 38.374 38.011 37.657 37.312 36.975 36.646 36.325 36.011 35.705 35.405 35.112 90.887 83.994 78.192 73.236 68.954 65.217 61.928 59.010 56.405 54.064 51.949 50.030 48.279 46.676 45.203 42.586 42.109 41.646 41.196 40.759 40.334 39.920 39.517 39.126 38.744 38.372 38.010 37.656 37.312 36.976 36.648 36.327 36.014 35.709 35.410 35.118 90.844 83.959 78.160 73.207 68.927 65.192 61.904 58.987 56.383 54.044 51.930 50.012 48.263 46.661 45.189 42.576 42.099 41.636 41.187 40.750 40.326 39.913 39.511 39.119 38.738 38.367 38.005 37.653 37.309 36.973 36.646 36.326 36.014 35.709 35.411 35.119 90.793 83.919 78.125 73.176 68.898 65.165 61.879 58.964 56.361 54.022 51.910 49.993 48.245 46.645 45.174 42.563 42.087 41.625 41.176 40.740 40.316 39.903 39.502 39.111 38.731 38.360 37.999 37.647 37.303 36.968 36.641 36.322 36.010 35.706 35.408 35.118 90.736 83.876 78.089 73.143 68.868 65.137 61.852 58.939 56.337 54.000 51.889 49.973 48.227 46.627 45.158 42.549 42.074 41.612 41.164 40.728 40.304 39.892 39.491 39.101 38.721 38.351 37.990 37.638 37.295 36.961 36.634 36.316 36.005 35.701 35.404 35.113 99999.999 83.830 78.050 73.109 68.837 65.108 61.826 58.914 56.313 53.977 51.868 49.953 48.207 46.609 45.141 42.535 42.060 41.598 41.150 40.715 40.292 39.880 39.480 39.090 38.710 38.340 37.980 37.629 37.286 36.952 36.626 36.308 35.997 35.694 35.397 35.107 romarchite SnO P-T:All Wt.(g/mol) = 134.690 V(cc/mol) = 20.895 D(g/cc) = 6.446 Ref: Shock07 3 1.000 42 1.000 2 -2.000 1 1.448 1.318 1.196 1.087 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.448 1.318 1.196 1.087 0.990 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.448 1.319 1.197 1.088 0.990 0.901 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.449 1.320 1.198 1.088 0.991 0.901 0.817 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.450 1.321 1.199 1.090 0.992 0.903 0.818 0.737 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.453 1.323 1.201 1.091 0.994 0.904 0.820 0.739 0.657 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.456 1.326 1.204 1.094 0.996 0.907 0.823 0.741 0.660 0.574 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.461 1.331 1.208 1.098 1.000 0.911 0.827 0.746 0.664 0.579 0.485 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.468 1.337 1.214 1.104 1.006 0.916 0.832 0.751 0.670 0.585 0.492 0.386 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.478 1.346 1.222 1.112 1.013 0.923 0.840 0.759 0.678 0.594 0.502 0.398 0.276 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.490 1.357 1.232 1.121 1.022 0.933 0.849 0.768 0.688 0.605 0.515 0.414 0.296 0.162 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.505 1.371 1.245 1.134 1.034 0.944 0.861 0.780 0.701 0.619 0.531 0.434 0.321 0.189 0.062 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.516 1.382 1.255 1.143 1.044 0.953 0.870 0.790 0.710 0.630 0.544 0.449 0.340 0.213 0.054 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.533 1.397 1.269 1.157 1.057 0.966 0.883 0.803 0.724 0.645 0.561 0.470 0.367 0.247 0.083 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.549 1.412 1.283 1.170 1.069 0.979 0.895 0.816 0.738 0.659 0.577 0.490 0.393 0.281 0.126 1.475 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.565 1.426 1.297 1.183 1.082 0.991 0.908 0.828 0.751 0.673 0.594 0.509 0.417 0.313 0.171 0.693 1.047 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.580 1.441 1.311 1.196 1.094 1.003 0.920 0.841 0.764 0.687 0.609 0.527 0.440 0.344 0.217 0.507 0.645 0.870 1.163 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.595 1.455 1.324 1.208 1.106 1.015 0.932 0.853 0.777 0.701 0.624 0.545 0.462 0.373 0.259 0.432 0.499 0.608 0.766 0.962 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.610 1.469 1.337 1.221 1.119 1.027 0.943 0.865 0.789 0.714 0.639 0.562 0.483 0.400 0.299 0.396 0.431 0.490 0.577 0.694 0.834 0.972 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.625 1.482 1.350 1.233 1.130 1.039 0.955 0.877 0.801 0.727 0.653 0.578 0.503 0.425 0.335 0.378 0.397 0.429 0.479 0.549 0.640 0.744 0.850 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.639 1.496 1.363 1.245 1.142 1.050 0.966 0.888 0.813 0.740 0.667 0.594 0.521 0.448 0.368 0.371 0.379 0.396 0.425 0.467 0.525 0.596 0.677 0.759 0.834 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.653 1.509 1.375 1.257 1.154 1.061 0.978 0.900 0.825 0.752 0.680 0.609 0.538 0.469 0.396 0.370 0.371 0.378 0.394 0.419 0.455 0.502 0.560 0.624 0.690 0.752 0.807 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.667 1.522 1.388 1.269 1.165 1.073 0.989 0.911 0.836 0.764 0.693 0.623 0.555 0.488 0.422 0.374 0.369 0.370 0.377 0.391 0.413 0.443 0.482 0.529 0.580 0.634 0.688 0.737 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.680 1.535 1.400 1.281 1.176 1.084 1.000 0.922 0.848 0.776 0.706 0.637 0.570 0.506 0.444 0.379 0.372 0.368 0.369 0.375 0.387 0.406 0.431 0.464 0.502 0.544 0.589 0.635 0.680 0.722 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.694 1.548 1.412 1.292 1.187 1.094 1.010 0.933 0.859 0.788 0.718 0.650 0.585 0.522 0.463 0.387 0.377 0.370 0.367 0.367 0.372 0.383 0.398 0.420 0.447 0.478 0.514 0.552 0.592 0.632 0.673 99999.999 99999.999 99999.999 99999.999 99999.999 1.707 1.560 1.424 1.304 1.198 1.105 1.021 0.943 0.870 0.799 0.730 0.663 0.599 0.537 0.480 0.396 0.384 0.375 0.368 0.364 0.365 0.369 0.377 0.391 0.408 0.431 0.458 0.488 0.521 0.556 0.592 0.630 0.669 99999.999 99999.999 99999.999 1.720 1.572 1.435 1.315 1.209 1.116 1.031 0.954 0.881 0.810 0.742 0.676 0.612 0.551 0.495 0.406 0.393 0.381 0.372 0.366 0.362 0.362 0.365 0.372 0.383 0.398 0.416 0.439 0.465 0.493 0.525 0.558 0.593 0.631 99999.999 99999.999 1.732 1.585 1.447 1.326 1.220 1.126 1.042 0.964 0.891 0.822 0.754 0.688 0.625 0.565 0.509 0.417 0.402 0.389 0.378 0.369 0.363 0.359 0.358 0.360 0.366 0.375 0.387 0.403 0.422 0.445 0.470 0.498 0.528 0.561 0.597 0.636 1.745 1.597 1.459 1.337 1.230 1.136 1.052 0.975 0.902 0.832 0.765 0.700 0.637 0.577 0.522 0.428 0.412 0.398 0.386 0.375 0.367 0.360 0.356 0.354 0.356 0.360 0.367 0.377 0.391 0.407 0.427 0.449 0.474 0.502 0.533 0.566 1.858 1.708 1.566 1.440 1.330 1.233 1.148 1.070 0.999 0.933 0.869 0.809 0.750 0.695 0.642 0.545 0.527 0.509 0.492 0.475 0.459 0.444 0.429 0.414 0.400 0.387 0.374 0.362 0.351 0.340 0.331 0.322 0.314 0.308 0.303 0.298 1.956 1.808 1.663 1.533 1.420 1.321 1.234 1.156 1.086 1.021 0.960 0.903 0.848 0.796 0.747 0.655 0.637 0.620 0.604 0.587 0.571 0.555 0.539 0.523 0.507 0.492 0.477 0.462 0.447 0.432 0.417 0.403 0.388 0.374 0.360 0.346 2.040 1.898 1.751 1.619 1.503 1.402 1.313 1.234 1.164 1.100 1.041 0.986 0.935 0.886 0.839 0.753 0.737 0.721 0.705 0.690 0.674 0.659 0.644 0.629 0.614 0.599 0.585 0.570 0.555 0.540 0.525 0.510 0.495 0.480 0.465 0.450 2.115 1.980 1.833 1.699 1.581 1.477 1.387 1.307 1.236 1.173 1.115 1.062 1.012 0.966 0.922 0.842 0.827 0.812 0.797 0.783 0.768 0.754 0.740 0.726 0.713 0.699 0.685 0.671 0.657 0.644 0.630 0.616 0.602 0.587 0.573 0.558 2.182 2.056 1.910 1.774 1.654 1.548 1.456 1.375 1.304 1.240 1.183 1.131 1.083 1.039 0.997 0.922 0.908 0.894 0.880 0.867 0.853 0.840 0.827 0.814 0.802 0.789 0.776 0.764 0.751 0.738 0.726 0.713 0.700 0.687 0.673 0.660 2.242 2.126 1.982 1.845 1.723 1.616 1.522 1.439 1.367 1.303 1.246 1.195 1.148 1.106 1.066 0.994 0.981 0.968 0.955 0.943 0.930 0.918 0.906 0.894 0.883 0.871 0.859 0.848 0.836 0.824 0.813 0.801 0.789 0.777 0.765 0.753 2.297 2.193 2.051 1.913 1.789 1.680 1.584 1.501 1.428 1.363 1.306 1.255 1.209 1.168 1.129 1.061 1.049 1.036 1.024 1.013 1.001 0.990 0.978 0.967 0.956 0.946 0.935 0.924 0.913 0.903 0.892 0.881 0.870 0.859 0.848 0.837 99999.999 2.257 2.116 1.978 1.853 1.742 1.645 1.560 1.486 1.420 1.363 1.312 1.267 1.226 1.189 1.123 1.111 1.100 1.088 1.077 1.066 1.055 1.045 1.035 1.024 1.014 1.004 0.994 0.984 0.974 0.964 0.954 0.944 0.934 0.924 0.913 selenium Se P-T:All Wt.(g/mol) = 78.960 V(cc/mol) = 16.420 D(g/cc) = 4.809 Ref: Shock07 5 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-2.439 -2.297 -2.179 -2.075 -1.980 -1.895 -1.819 -1.753 -1.696 -1.649 -1.613 -1.592 -1.590 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.639 -2.431 -2.287 -2.169 -2.064 -1.970 -1.885 -1.808 -1.741 -1.684 -1.636 -1.600 -1.576 -1.570 -1.601 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.635 -2.425 -2.280 -2.161 -2.056 -1.962 -1.876 -1.800 -1.733 -1.675 -1.627 -1.590 -1.565 -1.555 -1.575 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.631 -2.416 -2.270 -2.151 -2.045 -1.951 -1.865 -1.788 -1.721 -1.663 -1.614 -1.575 -1.549 -1.536 -1.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.627 -2.408 -2.261 -2.141 -2.035 -1.940 -1.854 -1.777 -1.709 -1.650 -1.601 -1.562 -1.534 -1.519 -1.522 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.624 -2.401 -2.252 -2.131 -2.025 -1.930 -1.843 -1.766 -1.698 -1.639 -1.589 -1.549 -1.519 -1.502 -1.501 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.621 -2.395 -2.244 -2.122 -2.015 -1.920 -1.833 -1.756 -1.687 -1.628 -1.577 -1.536 -1.506 -1.486 -1.481 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.619 -2.388 -2.236 -2.113 -2.006 -1.910 -1.824 -1.746 -1.677 -1.617 -1.566 -1.524 -1.492 -1.472 -1.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.618 -2.383 -2.229 -2.105 -1.998 -1.901 -1.814 -1.736 -1.667 -1.606 -1.555 -1.512 -1.480 -1.457 -1.447 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -2.617 -2.378 -2.222 -2.097 -1.989 -1.892 -1.805 -1.727 -1.657 -1.596 -1.544 -1.501 -1.467 -1.444 -1.432 99999.999 99999.999 99999.999 99999.999 99999.999 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-1.659 -1.556 -1.464 -1.382 -1.309 -1.243 -1.186 -1.135 -1.091 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.219 -2.643 -2.329 -2.113 -1.943 -1.800 -1.677 -1.567 -1.469 -1.382 -1.304 -1.234 -1.173 -1.118 -1.071 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.399 -2.757 -2.411 -2.174 -1.990 -1.837 -1.704 -1.588 -1.484 -1.392 -1.309 -1.235 -1.169 -1.111 -1.059 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.593 -2.884 -2.504 -2.246 -2.047 -1.883 -1.742 -1.618 -1.508 -1.409 -1.322 -1.243 -1.173 -1.111 -1.056 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -3.022 -2.607 -2.327 -2.113 -1.937 -1.787 -1.655 -1.538 -1.435 -1.342 -1.259 -1.185 -1.118 -1.060 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 smithsonite ZnCO3 P-T:All Wt.(g/mol) = 125.380 V(cc/mol) = 28.275 D(g/cc) = 4.434 Ref: Shock07 3 1.000 15 1.000 5 -1.000 1 0.919 0.463 0.028 -0.377 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.919 0.463 0.029 -0.377 -0.759 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.920 0.464 0.029 -0.377 -0.758 -1.123 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.921 0.465 0.030 -0.376 -0.757 -1.122 -1.477 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.924 0.467 0.032 -0.374 -0.756 -1.120 -1.475 -1.828 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.928 0.471 0.035 -0.371 -0.753 -1.117 -1.472 -1.824 -2.181 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.934 0.476 0.039 -0.367 -0.749 -1.113 -1.467 -1.819 -2.175 -2.546 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.943 0.483 0.046 -0.361 -0.743 -1.107 -1.461 -1.812 -2.167 -2.536 -2.933 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.955 0.492 0.055 -0.353 -0.735 -1.098 -1.452 -1.802 -2.156 -2.522 -2.916 -3.356 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.971 0.505 0.066 -0.342 -0.724 -1.087 -1.440 -1.789 -2.141 -2.504 -2.893 -3.325 -3.827 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.991 0.522 0.081 -0.328 -0.710 -1.073 -1.424 -1.772 -2.121 -2.481 -2.864 -3.287 -3.772 -4.357 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.018 0.543 0.100 -0.309 -0.692 -1.054 -1.405 -1.750 -2.097 -2.453 -2.828 -3.239 -3.704 -4.259 -4.992 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.038 0.560 0.115 -0.296 -0.678 -1.040 -1.390 -1.734 -2.078 -2.431 -2.801 -3.203 -3.654 -4.186 -4.901 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.066 0.583 0.135 -0.276 -0.659 -1.020 -1.369 -1.711 -2.052 -2.400 -2.764 -3.154 -3.585 -4.087 -4.753 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.094 0.605 0.156 -0.257 -0.640 -1.001 -1.348 -1.688 -2.027 -2.371 -2.728 -3.107 -3.521 -3.995 -4.610 -4.205 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.121 0.627 0.176 -0.238 -0.621 -0.982 -1.328 -1.666 -2.002 -2.343 -2.693 -3.063 -3.461 -3.909 -4.475 -4.636 -4.588 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.148 0.649 0.195 -0.219 -0.603 -0.963 -1.308 -1.645 -1.978 -2.315 -2.660 -3.021 -3.405 -3.830 -4.350 -4.692 -4.764 -4.805 -4.892 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.174 0.671 0.214 -0.201 -0.585 -0.945 -1.289 -1.624 -1.955 -2.288 -2.628 -2.980 -3.352 -3.756 -4.237 -4.675 -4.786 -4.880 -4.965 -5.080 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.199 0.691 0.233 -0.183 -0.567 -0.927 -1.270 -1.603 -1.932 -2.262 -2.597 -2.942 -3.303 -3.688 -4.133 -4.635 -4.761 -4.879 -4.989 -5.099 -5.232 -5.424 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.224 0.712 0.252 -0.166 -0.550 -0.909 -1.251 -1.583 -1.910 -2.237 -2.568 -2.906 -3.256 -3.626 -4.041 -4.588 -4.720 -4.848 -4.971 -5.092 -5.217 -5.359 -5.539 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.249 0.732 0.270 -0.148 -0.533 -0.892 -1.233 -1.564 -1.888 -2.212 -2.539 -2.871 -3.213 -3.569 -3.958 -4.538 -4.672 -4.804 -4.934 -5.062 -5.190 -5.324 -5.471 -5.642 -5.847 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.273 0.752 0.288 -0.131 -0.516 -0.875 -1.215 -1.544 -1.867 -2.188 -2.511 -2.838 -3.172 -3.516 -3.883 -4.487 -4.621 -4.755 -4.887 -5.019 -5.151 -5.284 -5.422 -5.570 -5.735 -5.920 -6.129 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.296 0.772 0.306 -0.115 -0.499 -0.858 -1.198 -1.525 -1.846 -2.165 -2.484 -2.807 -3.134 -3.468 -3.818 -4.437 -4.570 -4.704 -4.837 -4.970 -5.103 -5.237 -5.373 -5.513 -5.661 -5.819 -5.990 -6.175 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.319 0.791 0.323 -0.098 -0.483 -0.842 -1.181 -1.507 -1.826 -2.142 -2.458 -2.776 -3.098 -3.424 -3.760 -4.388 -4.520 -4.652 -4.785 -4.918 -5.052 -5.185 -5.320 -5.457 -5.598 -5.744 -5.896 -6.055 -6.222 -6.394 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 1.342 0.810 0.340 -0.082 -0.467 -0.825 -1.164 -1.489 -1.806 -2.120 -2.433 -2.747 -3.064 -3.383 -3.708 -4.340 -4.470 -4.602 -4.733 -4.866 -4.998 -5.132 -5.266 -5.401 -5.538 -5.678 -5.820 -5.967 -6.117 -6.270 -6.424 99999.999 99999.999 99999.999 99999.999 99999.999 1.364 0.828 0.357 -0.066 -0.452 -0.809 -1.147 -1.471 -1.787 -2.098 -2.409 -2.719 -3.031 -3.345 -3.662 -4.293 -4.422 -4.552 -4.682 -4.813 -4.945 -5.077 -5.210 -5.344 -5.479 -5.615 -5.753 -5.892 -6.032 -6.174 -6.316 -6.456 -6.593 99999.999 99999.999 99999.999 1.386 0.846 0.373 -0.050 -0.436 -0.794 -1.131 -1.453 -1.767 -2.077 -2.385 -2.693 -3.001 -3.310 -3.621 -4.247 -4.375 -4.503 -4.631 -4.761 -4.891 -5.023 -5.154 -5.287 -5.420 -5.554 -5.688 -5.823 -5.959 -6.094 -6.228 -6.361 -6.490 -6.614 99999.999 99999.999 1.407 0.864 0.389 -0.035 -0.421 -0.778 -1.114 -1.436 -1.749 -2.056 -2.362 -2.666 -2.971 -3.277 -3.584 -4.203 -4.329 -4.455 -4.582 -4.710 -4.839 -4.969 -5.099 -5.230 -5.362 -5.494 -5.626 -5.758 -5.890 -6.022 -6.152 -6.280 -6.404 -6.525 -6.639 -6.746 1.429 0.882 0.405 -0.020 -0.406 -0.763 -1.099 -1.419 -1.730 -2.036 -2.339 -2.641 -2.943 -3.245 -3.548 -4.160 -4.284 -4.409 -4.534 -4.660 -4.788 -4.916 -5.044 -5.174 -5.304 -5.434 -5.565 -5.695 -5.825 -5.954 -6.082 -6.207 -6.329 -6.447 -6.560 -6.667 1.619 1.043 0.553 0.121 -0.267 -0.623 -0.953 -1.265 -1.564 -1.853 -2.137 -2.416 -2.693 -2.968 -3.241 -3.787 -3.897 -4.007 -4.117 -4.228 -4.339 -4.451 -4.564 -4.677 -4.791 -4.906 -5.021 -5.136 -5.252 -5.368 -5.484 -5.599 -5.715 -5.829 -5.942 -6.055 1.779 1.182 0.681 0.244 -0.146 -0.500 -0.827 -1.132 -1.422 -1.699 -1.968 -2.231 -2.489 -2.744 -2.995 -3.493 -3.592 -3.691 -3.790 -3.889 -3.989 -4.089 -4.189 -4.289 -4.390 -4.492 -4.594 -4.696 -4.799 -4.903 -5.006 -5.111 -5.215 -5.320 -5.425 -5.530 1.914 1.303 0.794 0.353 -0.038 -0.392 -0.715 -1.016 -1.298 -1.567 -1.824 -2.074 -2.317 -2.556 -2.790 -3.250 -3.341 -3.432 -3.523 -3.613 -3.704 -3.795 -3.886 -3.977 -4.068 -4.160 -4.251 -4.344 -4.436 -4.529 -4.623 -4.717 -4.811 -4.906 -5.001 -5.097 2.030 1.408 0.894 0.451 0.058 -0.294 -0.616 -0.912 -1.189 -1.450 -1.699 -1.938 -2.169 -2.395 -2.615 -3.045 -3.130 -3.214 -3.298 -3.382 -3.466 -3.549 -3.633 -3.717 -3.800 -3.884 -3.968 -4.052 -4.137 -4.222 -4.307 -4.392 -4.478 -4.565 -4.652 -4.739 2.130 1.502 0.984 0.538 0.146 -0.206 -0.525 -0.819 -1.091 -1.346 -1.587 -1.818 -2.040 -2.254 -2.464 -2.869 -2.948 -3.027 -3.106 -3.184 -3.262 -3.340 -3.418 -3.495 -3.573 -3.651 -3.728 -3.806 -3.884 -3.963 -4.041 -4.120 -4.199 -4.279 -4.358 -4.439 2.218 1.586 1.065 0.618 0.225 -0.126 -0.443 -0.734 -1.002 -1.252 -1.488 -1.711 -1.925 -2.131 -2.330 -2.714 -2.789 -2.864 -2.938 -3.012 -3.085 -3.158 -3.231 -3.304 -3.377 -3.449 -3.522 -3.595 -3.667 -3.740 -3.813 -3.887 -3.960 -4.034 -4.109 -4.183 2.294 1.661 1.138 0.690 0.298 -0.052 -0.368 -0.656 -0.921 -1.167 -1.397 -1.615 -1.822 -2.020 -2.211 -2.578 -2.649 -2.720 -2.790 -2.860 -2.929 -2.999 -3.068 -3.136 -3.205 -3.273 -3.342 -3.410 -3.479 -3.547 -3.616 -3.685 -3.754 -3.823 -3.893 -3.963 99999.999 1.730 1.205 0.757 0.365 0.016 -0.298 -0.584 -0.846 -1.089 -1.315 -1.527 -1.728 -1.920 -2.105 -2.456 -2.524 -2.591 -2.658 -2.725 -2.791 -2.857 -2.922 -2.988 -3.053 -3.118 -3.183 -3.247 -3.312 -3.377 -3.442 -3.507 -3.573 -3.638 -3.704 -3.771 sodium-oxide Na2O P-T:All Wt.(g/mol) = 61.980 V(cc/mol) = 25.000 D(g/cc) = 2.479 Ref: Shock07 3 2.000 13 1.000 2 -2.000 1 73.075 67.427 62.677 58.638 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.075 67.427 62.677 58.638 55.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.076 67.427 62.677 58.638 55.166 52.153 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.076 67.427 62.677 58.638 55.166 52.153 49.514 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.078 67.428 62.678 58.639 55.167 52.153 49.514 47.185 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.079 67.429 62.679 58.639 55.167 52.154 49.515 47.186 45.114 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.082 67.431 62.680 58.640 55.168 52.154 49.516 47.186 45.115 43.259 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.086 67.433 62.681 58.641 55.169 52.155 49.517 47.187 45.116 43.261 41.586 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.091 67.436 62.683 58.643 55.170 52.157 49.518 47.189 45.118 43.263 41.589 40.066 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.098 67.440 62.686 58.645 55.172 52.158 49.520 47.190 45.120 43.265 41.593 40.071 38.675 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.106 67.446 62.690 58.648 55.175 52.161 49.522 47.193 45.122 43.269 41.597 40.077 38.684 37.395 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.117 67.452 62.695 58.652 55.178 52.163 49.524 47.196 45.126 43.273 41.602 40.085 38.696 37.411 36.207 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.125 67.457 62.698 58.654 55.180 52.165 49.526 47.198 45.128 43.276 41.606 40.091 38.704 37.423 36.215 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.137 67.464 62.703 58.658 55.183 52.168 49.529 47.201 45.131 43.280 41.611 40.098 38.716 37.440 36.238 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.148 67.470 62.707 58.661 55.186 52.171 49.531 47.203 45.134 43.283 41.616 40.106 38.727 37.457 36.263 34.726 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.159 67.477 62.712 58.665 55.188 52.173 49.534 47.206 45.137 43.287 41.621 40.112 38.736 37.472 36.288 34.513 34.252 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.169 67.483 62.716 58.668 55.191 52.175 49.536 47.208 45.140 43.290 41.626 40.118 38.746 37.486 36.312 34.460 34.142 33.855 33.577 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.179 67.489 62.720 58.671 55.193 52.177 49.538 47.210 45.142 43.293 41.630 40.124 38.754 37.499 36.333 34.440 34.102 33.786 33.491 33.204 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.189 67.494 62.724 58.674 55.196 52.179 49.540 47.213 45.145 43.296 41.633 40.129 38.762 37.510 36.352 34.432 34.086 33.756 33.443 33.146 32.857 32.565 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.198 67.500 62.727 58.676 55.198 52.181 49.542 47.214 45.147 43.299 41.637 40.134 38.768 37.521 36.369 34.430 34.078 33.742 33.420 33.112 32.817 32.530 32.244 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.207 67.505 62.731 58.679 55.200 52.183 49.544 47.216 45.149 43.302 41.640 40.139 38.775 37.530 36.384 34.430 34.076 33.735 33.408 33.094 32.792 32.501 32.218 31.939 31.658 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.216 67.510 62.734 58.681 55.202 52.185 49.545 47.218 45.151 43.304 41.643 40.143 38.780 37.538 36.397 34.432 34.076 33.733 33.402 33.084 32.778 32.483 32.197 31.919 31.646 31.376 31.106 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.224 67.514 62.737 58.683 55.204 52.186 49.547 47.220 45.153 43.306 41.646 40.147 38.785 37.545 36.408 34.435 34.078 33.733 33.401 33.080 32.770 32.471 32.183 31.904 31.632 31.365 31.104 30.845 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.232 67.519 62.740 58.686 55.205 52.188 49.548 47.221 45.155 43.308 41.649 40.150 38.790 37.551 36.417 34.438 34.081 33.735 33.401 33.078 32.766 32.465 32.174 31.893 31.620 31.354 31.095 30.841 30.592 30.348 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 73.240 67.523 62.743 58.688 55.207 52.189 49.550 47.223 45.157 43.310 41.652 40.153 38.794 37.556 36.424 34.442 34.084 33.737 33.402 33.079 32.765 32.462 32.170 31.886 31.612 31.345 31.086 30.834 30.588 30.348 30.113 99999.999 99999.999 99999.999 99999.999 99999.999 73.247 67.527 62.745 58.689 55.208 52.190 49.551 47.224 45.158 43.312 41.654 40.156 38.798 37.561 36.430 34.446 34.087 33.741 33.405 33.080 32.766 32.462 32.167 31.883 31.607 31.339 31.079 30.827 30.582 30.343 30.110 29.884 29.663 99999.999 99999.999 99999.999 73.254 67.531 62.748 58.691 55.210 52.192 49.552 47.225 45.159 43.314 41.656 40.159 38.801 37.565 36.435 34.450 34.091 33.744 33.408 33.083 32.768 32.463 32.167 31.881 31.604 31.335 31.075 30.822 30.576 30.338 30.106 29.880 29.661 29.449 99999.999 99999.999 73.261 67.535 62.750 58.693 55.211 52.193 49.553 47.226 45.161 43.316 41.658 40.161 38.804 37.568 36.439 34.454 34.095 33.748 33.412 33.086 32.770 32.465 32.169 31.881 31.603 31.334 31.072 30.818 30.572 30.333 30.101 29.876 29.657 29.445 29.240 29.041 73.268 67.539 62.753 58.694 55.212 52.194 49.554 47.227 45.162 43.317 41.660 40.164 38.807 37.571 36.443 34.458 34.099 33.752 33.415 33.089 32.773 32.467 32.171 31.883 31.604 31.333 31.071 30.817 30.570 30.330 30.097 29.872 29.653 29.441 29.235 29.036 73.323 67.567 62.769 58.705 55.219 52.199 49.559 47.233 45.170 43.327 41.673 40.181 38.828 37.597 36.472 34.494 34.136 33.789 33.453 33.127 32.811 32.505 32.207 31.918 31.637 31.365 31.100 30.842 30.591 30.348 30.111 29.880 29.656 29.437 29.225 29.018 73.358 67.582 62.775 58.707 55.219 52.198 49.558 47.232 45.170 43.330 41.679 40.189 38.840 37.612 36.491 34.519 34.163 33.817 33.483 33.158 32.843 32.538 32.242 31.954 31.674 31.403 31.138 30.881 30.631 30.388 30.151 29.920 29.695 29.476 29.263 29.055 73.379 67.588 62.775 58.703 55.213 52.192 49.552 47.227 45.166 43.328 41.679 40.192 38.845 37.620 36.502 34.537 34.181 33.837 33.504 33.181 32.867 32.563 32.268 31.982 31.703 31.433 31.170 30.914 30.665 30.423 30.187 29.958 29.734 29.516 29.303 29.096 73.388 67.585 62.768 58.694 55.204 52.182 49.542 47.219 45.159 43.322 41.675 40.190 38.846 37.623 36.508 34.548 34.194 33.851 33.518 33.196 32.884 32.581 32.287 32.002 31.725 31.456 31.194 30.939 30.692 30.451 30.216 29.988 29.765 29.548 29.337 29.131 73.387 67.577 62.756 58.681 55.191 52.169 49.530 47.207 45.149 43.313 41.667 40.185 38.842 37.622 36.509 34.554 34.201 33.859 33.528 33.207 32.895 32.593 32.301 32.016 31.740 31.472 31.211 30.958 30.712 30.472 30.238 30.011 29.789 29.574 29.363 29.158 73.378 67.563 62.741 58.665 55.175 52.154 49.515 47.193 45.136 43.302 41.658 40.177 38.836 37.618 36.507 34.556 34.204 33.863 33.533 33.212 32.902 32.601 32.309 32.026 31.751 31.483 31.224 30.971 30.726 30.487 30.254 30.028 29.808 29.593 29.384 29.179 73.362 67.545 62.722 58.647 55.157 52.136 49.499 47.178 45.122 43.289 41.646 40.166 38.828 37.612 36.503 34.556 34.204 33.864 33.534 33.215 32.905 32.605 32.314 32.032 31.757 31.491 31.232 30.980 30.736 30.498 30.266 30.041 29.821 29.607 29.399 29.195 99999.999 67.524 62.701 58.626 55.137 52.118 49.481 47.161 45.106 43.274 41.633 40.155 38.818 37.603 36.496 34.553 34.202 33.862 33.533 33.215 32.906 32.606 32.316 32.034 31.761 31.495 31.237 30.986 30.742 30.505 30.274 30.049 29.830 29.617 29.409 29.207 sphalerite ZnS P-T:All Wt.(g/mol) = 97.430 V(cc/mol) = 23.830 D(g/cc) = 4.089 Ref: Shock07 3 1.000 15 1.000 6 -1.000 1 -12.048 -11.440 -10.985 -10.639 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.048 -11.440 -10.985 -10.639 -10.379 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.047 -11.439 -10.985 -10.639 -10.378 -10.190 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.046 -11.438 -10.984 -10.638 -10.377 -10.189 -10.064 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.043 -11.436 -10.982 -10.636 -10.375 -10.187 -10.062 -9.995 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.039 -11.433 -10.979 -10.633 -10.372 -10.184 -10.058 -9.991 -9.981 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.033 -11.428 -10.974 -10.628 -10.368 -10.179 -10.053 -9.986 -9.974 -10.021 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.025 -11.421 -10.968 -10.622 -10.362 -10.173 -10.046 -9.978 -9.965 -10.010 -10.122 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -12.013 -11.411 -10.959 -10.614 -10.353 -10.164 -10.037 -9.967 -9.953 -9.995 -10.103 -10.293 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.997 -11.398 -10.947 -10.602 -10.342 -10.152 -10.024 -9.953 -9.936 -9.976 -10.079 -10.260 -10.541 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.977 -11.381 -10.932 -10.588 -10.327 -10.136 -10.007 -9.935 -9.915 -9.951 -10.047 -10.217 -10.481 -10.869 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.952 -11.360 -10.912 -10.569 -10.308 -10.117 -9.986 -9.911 -9.889 -9.919 -10.007 -10.164 -10.406 -10.765 -11.309 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.932 -11.344 -10.897 -10.555 -10.294 -10.102 -9.970 -9.894 -9.869 -9.895 -9.977 -10.124 -10.351 -10.687 -11.228 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.904 -11.320 -10.876 -10.534 -10.274 -10.081 -9.948 -9.869 -9.840 -9.862 -9.936 -10.070 -10.276 -10.579 -11.076 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.877 -11.298 -10.855 -10.514 -10.253 -10.060 -9.925 -9.844 -9.812 -9.829 -9.896 -10.018 -10.205 -10.477 -10.922 -9.530 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.851 -11.275 -10.835 -10.494 -10.234 -10.040 -9.904 -9.820 -9.786 -9.798 -9.858 -9.969 -10.138 -10.382 -10.774 -10.318 -10.035 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.825 -11.253 -10.815 -10.475 -10.214 -10.019 -9.882 -9.797 -9.759 -9.767 -9.821 -9.922 -10.075 -10.294 -10.637 -10.459 -10.395 -10.261 -10.136 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.799 -11.232 -10.795 -10.456 -10.195 -10.000 -9.861 -9.774 -9.733 -9.738 -9.786 -9.878 -10.017 -10.212 -10.510 -10.479 -10.485 -10.459 -10.400 -10.352 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.774 -11.210 -10.775 -10.437 -10.176 -9.980 -9.841 -9.751 -9.708 -9.709 -9.752 -9.835 -9.961 -10.136 -10.395 -10.459 -10.495 -10.514 -10.514 -10.501 -10.498 -10.553 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.749 -11.189 -10.756 -10.418 -10.158 -9.961 -9.820 -9.729 -9.684 -9.681 -9.719 -9.795 -9.910 -10.067 -10.292 -10.423 -10.472 -10.513 -10.544 -10.564 -10.579 -10.605 -10.665 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.725 -11.168 -10.737 -10.400 -10.139 -9.942 -9.800 -9.707 -9.660 -9.654 -9.687 -9.756 -9.861 -10.003 -10.199 -10.379 -10.435 -10.488 -10.534 -10.574 -10.609 -10.643 -10.686 -10.752 -10.855 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.701 -11.148 -10.718 -10.382 -10.121 -9.924 -9.781 -9.686 -9.636 -9.627 -9.656 -9.719 -9.816 -9.944 -10.116 -10.332 -10.392 -10.450 -10.505 -10.556 -10.604 -10.650 -10.697 -10.751 -10.821 -10.912 -11.030 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.678 -11.128 -10.699 -10.364 -10.103 -9.905 -9.761 -9.665 -9.613 -9.601 -9.626 -9.684 -9.773 -9.891 -10.043 -10.283 -10.344 -10.405 -10.465 -10.523 -10.579 -10.634 -10.687 -10.743 -10.804 -10.875 -10.959 -11.058 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.655 -11.108 -10.681 -10.346 -10.086 -9.887 -9.742 -9.645 -9.590 -9.576 -9.597 -9.650 -9.733 -9.842 -9.979 -10.234 -10.296 -10.358 -10.420 -10.482 -10.543 -10.603 -10.662 -10.721 -10.782 -10.847 -10.918 -10.997 -11.083 -11.176 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -11.632 -11.089 -10.663 -10.329 -10.068 -9.869 -9.724 -9.625 -9.568 -9.551 -9.569 -9.618 -9.695 -9.796 -9.922 -10.185 -10.247 -10.309 -10.372 -10.436 -10.499 -10.563 -10.626 -10.689 -10.752 -10.816 -10.883 -10.953 -11.027 -11.103 -11.182 99999.999 99999.999 99999.999 99999.999 99999.999 -11.610 -11.069 -10.645 -10.311 -10.051 -9.852 -9.705 -9.605 -9.547 -9.527 -9.541 -9.587 -9.659 -9.755 -9.871 -10.137 -10.198 -10.260 -10.323 -10.387 -10.452 -10.517 -10.583 -10.648 -10.714 -10.780 -10.846 -10.913 -10.981 -11.051 -11.120 -11.188 -11.253 99999.999 99999.999 99999.999 -11.588 -11.051 -10.627 -10.294 -10.034 -9.835 -9.687 -9.585 -9.525 -9.503 -9.515 -9.557 -9.625 -9.716 -9.826 -10.090 -10.149 -10.210 -10.273 -10.338 -10.403 -10.469 -10.536 -10.603 -10.670 -10.737 -10.804 -10.871 -10.938 -11.005 -11.070 -11.133 -11.193 -11.249 99999.999 99999.999 -11.567 -11.032 -10.610 -10.278 -10.018 -9.818 -9.669 -9.566 -9.504 -9.480 -9.489 -9.528 -9.592 -9.679 -9.784 -10.043 -10.101 -10.162 -10.224 -10.288 -10.353 -10.419 -10.486 -10.554 -10.622 -10.691 -10.759 -10.827 -10.894 -10.960 -11.024 -11.086 -11.144 -11.198 -11.246 -11.286 -11.546 -11.013 -10.593 -10.261 -10.001 -9.801 -9.651 -9.547 -9.484 -9.457 -9.463 -9.499 -9.560 -9.644 -9.746 -9.997 -10.054 -10.114 -10.175 -10.238 -10.302 -10.368 -10.435 -10.504 -10.572 -10.641 -10.710 -10.779 -10.846 -10.913 -10.978 -11.040 -11.098 -11.153 -11.202 -11.245 -11.353 -10.842 -10.432 -10.105 -9.846 -9.643 -9.487 -9.373 -9.294 -9.249 -9.234 -9.245 -9.279 -9.333 -9.404 -9.592 -9.636 -9.682 -9.731 -9.781 -9.834 -9.888 -9.945 -10.003 -10.063 -10.125 -10.188 -10.252 -10.318 -10.385 -10.452 -10.519 -10.587 -10.654 -10.721 -10.786 -11.188 -10.691 -10.288 -9.965 -9.706 -9.501 -9.341 -9.219 -9.130 -9.072 -9.040 -9.032 -9.045 -9.077 -9.125 -9.262 -9.295 -9.331 -9.368 -9.407 -9.448 -9.491 -9.536 -9.582 -9.630 -9.680 -9.732 -9.785 -9.839 -9.896 -9.953 -10.012 -10.073 -10.134 -10.197 -10.260 -11.046 -10.555 -10.158 -9.837 -9.579 -9.372 -9.208 -9.081 -8.984 -8.915 -8.871 -8.848 -8.845 -8.859 -8.889 -8.986 -9.011 -9.038 -9.066 -9.096 -9.128 -9.161 -9.196 -9.233 -9.271 -9.311 -9.353 -9.396 -9.440 -9.486 -9.534 -9.583 -9.634 -9.686 -9.739 -9.794 -10.921 -10.433 -10.038 -9.719 -9.461 -9.254 -9.087 -8.955 -8.852 -8.775 -8.721 -8.686 -8.670 -8.670 -8.685 -8.749 -8.767 -8.787 -8.808 -8.831 -8.856 -8.882 -8.909 -8.938 -8.968 -9.000 -9.033 -9.068 -9.104 -9.142 -9.181 -9.221 -9.263 -9.307 -9.352 -9.398 -10.810 -10.322 -9.928 -9.610 -9.352 -9.143 -8.974 -8.839 -8.731 -8.647 -8.585 -8.542 -8.515 -8.503 -8.505 -8.543 -8.555 -8.569 -8.584 -8.601 -8.620 -8.639 -8.661 -8.683 -8.707 -8.732 -8.759 -8.787 -8.816 -8.847 -8.879 -8.912 -8.947 -8.983 -9.021 -9.060 -10.711 -10.219 -9.826 -9.508 -9.250 -9.040 -8.869 -8.730 -8.619 -8.530 -8.462 -8.410 -8.375 -8.353 -8.344 -8.360 -8.367 -8.376 -8.387 -8.399 -8.412 -8.427 -8.443 -8.460 -8.479 -8.499 -8.520 -8.542 -8.566 -8.591 -8.617 -8.645 -8.674 -8.704 -8.735 -8.768 -10.622 -10.123 -9.730 -9.413 -9.154 -8.943 -8.770 -8.629 -8.514 -8.421 -8.347 -8.290 -8.247 -8.218 -8.200 -8.196 -8.199 -8.204 -8.211 -8.219 -8.228 -8.238 -8.250 -8.263 -8.277 -8.292 -8.309 -8.326 -8.345 -8.366 -8.387 -8.410 -8.434 -8.459 -8.486 -8.514 99999.999 -10.034 -9.640 -9.322 -9.063 -8.851 -8.677 -8.534 -8.416 -8.320 -8.241 -8.179 -8.130 -8.093 -8.068 -8.047 -8.048 -8.049 -8.052 -8.056 -8.062 -8.069 -8.076 -8.086 -8.096 -8.108 -8.120 -8.134 -8.149 -8.166 -8.183 -8.202 -8.222 -8.243 -8.266 -8.289 sphalerite ZnS P-T:All Wt.(g/mol) = 97.430 V(cc/mol) = 23.830 D(g/cc) = 4.089 Ref: Shock07 3 1.000 15 -2.000 31 1.000 4 140.051 126.877 115.454 105.474 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 140.051 126.877 115.454 105.474 96.670 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 140.053 126.879 115.456 105.476 96.672 88.828 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 140.058 126.883 115.460 105.480 96.676 88.832 81.778 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 140.065 126.890 115.467 105.486 96.682 88.838 81.784 75.382 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 140.078 126.901 115.477 105.497 96.692 88.848 81.794 75.392 69.529 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 140.096 126.918 115.493 105.512 96.706 88.863 81.809 75.408 69.546 64.123 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 140.122 126.942 115.515 105.533 96.727 88.884 81.830 75.431 69.570 64.151 59.075 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 140.158 126.975 115.546 105.563 96.756 88.912 81.860 75.461 69.604 64.188 59.120 54.299 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 140.207 127.019 115.588 105.603 96.795 88.951 81.899 75.503 69.648 64.238 59.179 54.376 49.712 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 140.270 127.077 115.642 105.654 96.846 89.001 81.950 75.556 69.706 64.302 59.255 54.473 49.849 45.214 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 140.350 127.151 115.711 105.720 96.910 89.065 82.016 75.624 69.778 64.383 59.350 54.593 50.015 45.473 40.559 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 140.413 127.208 115.764 105.771 96.960 89.115 82.066 75.676 69.834 64.445 59.422 54.683 50.137 45.656 40.912 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 140.502 127.289 115.840 105.844 97.031 89.185 82.137 75.750 69.913 64.532 59.523 54.807 50.302 45.897 41.332 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 140.590 127.369 115.916 105.916 97.101 89.255 82.207 75.823 69.990 64.616 59.620 54.926 50.457 46.117 41.693 33.145 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 140.677 127.449 115.991 105.988 97.170 89.323 82.277 75.894 70.066 64.699 59.714 55.039 50.603 46.320 42.012 34.501 32.467 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 140.764 127.528 116.065 106.059 97.239 89.391 82.345 75.965 70.140 64.780 59.805 55.148 50.741 46.507 42.299 34.987 33.317 31.466 29.229 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 140.850 127.607 116.138 106.129 97.307 89.458 82.413 76.034 70.213 64.859 59.894 55.252 50.871 46.680 42.557 35.328 33.774 32.157 30.418 28.464 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 140.935 127.685 116.211 106.198 97.374 89.525 82.480 76.103 70.285 64.936 59.980 55.353 50.994 46.841 42.791 35.604 34.113 32.594 31.025 29.370 27.580 25.611 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.020 127.762 116.284 106.267 97.441 89.591 82.546 76.171 70.356 65.012 60.064 55.449 51.111 46.991 43.003 35.842 34.391 32.929 31.445 29.922 28.336 26.662 24.877 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.104 127.839 116.356 106.336 97.508 89.656 82.611 76.238 70.426 65.086 60.146 55.543 51.222 47.130 43.194 36.054 34.631 33.208 31.776 30.327 28.847 27.323 25.739 24.086 22.361 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.187 127.915 116.427 106.403 97.573 89.721 82.676 76.304 70.494 65.159 60.226 55.633 51.327 47.259 43.368 36.246 34.846 33.451 32.056 30.654 29.239 27.802 26.333 24.825 23.273 21.678 20.050 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.270 127.990 116.497 106.471 97.638 89.785 82.740 76.369 70.562 65.231 60.304 55.720 51.428 47.381 43.525 36.423 35.041 33.668 32.300 30.933 29.562 28.181 26.784 25.367 23.924 22.456 20.964 19.455 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.352 128.066 116.568 106.538 97.703 89.848 82.803 76.433 70.629 65.302 60.380 55.804 51.524 47.494 43.668 36.588 35.221 33.866 32.519 31.179 29.840 28.499 27.152 25.795 24.425 23.041 21.644 20.236 18.823 17.415 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 141.434 128.140 116.637 106.604 97.767 89.911 82.866 76.497 70.695 65.371 60.455 55.886 51.616 47.601 43.798 36.742 35.388 34.048 32.720 31.400 30.086 28.775 27.465 26.151 24.833 23.508 22.177 20.842 19.505 18.172 16.850 99999.999 99999.999 99999.999 99999.999 99999.999 141.515 128.214 116.707 106.670 97.830 89.973 82.928 76.560 70.760 65.440 60.528 55.966 51.704 47.701 43.917 36.888 35.545 34.218 32.904 31.602 30.308 29.021 27.739 26.458 25.178 23.897 22.615 21.333 20.052 18.778 17.512 16.262 15.034 99999.999 99999.999 99999.999 141.596 128.288 116.775 106.735 97.894 90.035 82.990 76.622 70.824 65.507 60.599 56.043 51.790 47.797 44.027 37.027 35.693 34.377 33.076 31.789 30.512 29.245 27.984 26.729 25.479 24.231 22.986 21.745 20.508 19.277 18.057 16.850 15.662 14.497 99999.999 99999.999 141.676 128.361 116.844 106.800 97.956 90.096 83.051 76.684 70.887 65.573 60.670 56.119 51.873 47.889 44.131 37.159 35.834 34.528 33.238 31.963 30.701 29.450 28.208 26.974 25.747 24.526 23.310 22.100 20.897 19.702 18.517 17.345 16.190 15.055 13.944 12.861 141.755 128.433 116.912 106.864 98.018 90.157 83.111 76.745 70.950 65.639 60.739 56.193 51.953 47.977 44.229 37.286 35.969 34.671 33.391 32.127 30.877 29.640 28.413 27.197 25.989 24.790 23.598 22.414 21.238 20.071 18.915 17.772 16.644 15.535 14.447 13.383 142.524 129.136 117.568 107.487 98.617 90.741 83.689 77.325 71.541 66.250 61.380 56.872 52.680 48.763 45.086 38.337 37.070 35.827 34.607 33.408 32.230 31.071 29.930 28.806 27.699 26.607 25.530 24.468 23.420 22.385 21.363 20.355 19.361 18.380 17.412 16.458 143.253 129.803 118.190 108.076 99.181 91.288 84.226 77.860 72.080 66.801 61.949 57.466 53.305 49.425 45.792 39.155 37.915 36.701 35.511 34.345 33.201 32.079 30.976 29.893 28.829 27.782 26.752 25.739 24.741 23.758 22.789 21.835 20.894 19.966 19.052 18.150 143.950 130.441 118.785 108.637 99.718 91.807 84.734 78.361 72.582 67.307 62.466 58.000 53.860 50.006 46.403 39.840 38.617 37.421 36.251 35.105 33.983 32.882 31.803 30.745 29.706 28.685 27.683 26.697 25.728 24.775 23.837 22.914 22.005 21.109 20.227 19.357 144.621 131.055 119.357 109.177 100.233 92.303 85.216 78.836 73.053 67.780 62.946 58.490 54.365 50.528 46.947 40.437 39.227 38.044 36.887 35.755 34.647 33.561 32.498 31.456 30.434 29.431 28.446 27.480 26.530 25.597 24.679 23.776 22.888 22.014 21.154 20.306 145.272 131.650 119.910 109.698 100.729 92.780 85.679 79.289 73.501 68.227 63.395 58.946 54.830 51.007 47.442 40.971 39.769 38.596 37.448 36.326 35.229 34.155 33.103 32.072 31.062 30.072 29.101 28.147 27.211 26.292 25.389 24.501 23.628 22.769 21.924 21.092 145.907 132.229 120.447 110.203 101.209 93.241 86.125 79.724 73.930 68.652 63.821 59.375 55.266 51.452 47.898 41.456 40.261 39.095 37.955 36.841 35.751 34.685 33.642 32.620 31.619 30.638 29.676 28.733 27.807 26.898 26.005 25.128 24.266 23.418 22.585 21.764 146.528 132.796 120.971 110.695 101.676 93.689 86.557 80.145 74.342 69.060 64.226 59.782 55.676 51.868 48.323 41.903 40.714 39.552 38.418 37.310 36.226 35.167 34.130 33.115 32.121 31.147 30.192 29.256 28.338 27.437 26.552 25.683 24.829 23.990 23.165 22.354 99999.999 133.351 121.483 111.175 102.132 94.124 86.977 80.553 74.741 69.453 64.616 60.170 56.066 52.262 48.723 42.320 41.134 39.977 38.847 37.743 36.664 35.610 34.578 33.568 32.579 31.611 30.662 29.731 28.819 27.924 27.045 26.183 25.335 24.503 23.684 22.879 strontianite SrCO3 P-T:All Wt.(g/mol) = 147.630 V(cc/mol) = 39.010 D(g/cc) = 3.784 Ref: Shock07 3 1.000 21 1.000 5 -1.000 1 -0.237 -0.314 -0.435 -0.579 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.237 -0.314 -0.435 -0.579 -0.739 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.236 -0.313 -0.435 -0.579 -0.739 -0.913 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.234 -0.312 -0.434 -0.578 -0.738 -0.912 -1.101 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.231 -0.309 -0.431 -0.576 -0.736 -0.910 -1.099 -1.306 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.227 -0.305 -0.428 -0.572 -0.732 -0.907 -1.096 -1.302 -1.529 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.220 -0.300 -0.423 -0.568 -0.728 -0.902 -1.091 -1.297 -1.523 -1.776 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.210 -0.292 -0.416 -0.561 -0.721 -0.895 -1.084 -1.289 -1.515 -1.766 -2.055 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.197 -0.281 -0.406 -0.552 -0.712 -0.886 -1.074 -1.279 -1.503 -1.752 -2.038 -2.376 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.179 -0.266 -0.393 -0.539 -0.700 -0.874 -1.062 -1.265 -1.488 -1.735 -2.015 -2.347 -2.755 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.156 -0.247 -0.376 -0.523 -0.684 -0.858 -1.045 -1.247 -1.468 -1.712 -1.987 -2.309 -2.701 -3.208 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.127 -0.223 -0.354 -0.502 -0.664 -0.838 -1.024 -1.225 -1.443 -1.683 -1.952 -2.263 -2.635 -3.108 -3.806 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.105 -0.204 -0.337 -0.487 -0.649 -0.822 -1.008 -1.208 -1.424 -1.661 -1.925 -2.229 -2.587 -3.036 -3.685 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.073 -0.178 -0.313 -0.464 -0.627 -0.800 -0.985 -1.183 -1.397 -1.630 -1.889 -2.181 -2.522 -2.940 -3.526 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.042 -0.152 -0.290 -0.443 -0.606 -0.779 -0.963 -1.160 -1.371 -1.601 -1.853 -2.136 -2.461 -2.852 -3.383 -3.948 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -0.012 -0.127 -0.267 -0.421 -0.585 -0.758 -0.941 -1.137 -1.346 -1.572 -1.819 -2.093 -2.404 -2.770 -3.254 -3.737 -3.975 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.018 -0.102 -0.245 -0.400 -0.564 -0.737 -0.920 -1.114 -1.321 -1.544 -1.786 -2.053 -2.351 -2.695 -3.136 -3.637 -3.817 -4.044 -4.409 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.047 -0.078 -0.223 -0.379 -0.544 -0.717 -0.899 -1.092 -1.297 -1.517 -1.755 -2.014 -2.300 -2.626 -3.030 -3.547 -3.711 -3.894 -4.115 -4.416 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.076 -0.053 -0.201 -0.358 -0.523 -0.696 -0.878 -1.070 -1.273 -1.491 -1.724 -1.977 -2.253 -2.562 -2.934 -3.465 -3.619 -3.785 -3.968 -4.182 -4.451 -4.801 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.104 -0.030 -0.179 -0.338 -0.504 -0.677 -0.858 -1.048 -1.250 -1.465 -1.694 -1.941 -2.209 -2.503 -2.848 -3.390 -3.536 -3.691 -3.857 -4.039 -4.247 -4.494 -4.793 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.131 -0.006 -0.158 -0.318 -0.484 -0.657 -0.838 -1.027 -1.227 -1.440 -1.666 -1.907 -2.167 -2.449 -2.770 -3.321 -3.460 -3.606 -3.761 -3.927 -4.107 -4.309 -4.539 -4.805 -5.111 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.159 0.016 -0.137 -0.298 -0.465 -0.638 -0.818 -1.007 -1.205 -1.415 -1.638 -1.875 -2.127 -2.399 -2.701 -3.256 -3.390 -3.529 -3.676 -3.830 -3.994 -4.172 -4.367 -4.583 -4.824 -5.092 -5.386 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.185 0.039 -0.117 -0.279 -0.446 -0.619 -0.799 -0.986 -1.183 -1.391 -1.611 -1.844 -2.090 -2.352 -2.638 -3.195 -3.324 -3.458 -3.597 -3.743 -3.897 -4.060 -4.234 -4.422 -4.626 -4.848 -5.088 -5.344 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.212 0.061 -0.097 -0.260 -0.428 -0.601 -0.780 -0.966 -1.162 -1.368 -1.585 -1.814 -2.055 -2.309 -2.583 -3.137 -3.262 -3.391 -3.525 -3.664 -3.810 -3.962 -4.123 -4.293 -4.474 -4.667 -4.873 -5.091 -5.318 -5.554 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 0.237 0.083 -0.077 -0.241 -0.409 -0.582 -0.761 -0.947 -1.141 -1.345 -1.559 -1.785 -2.021 -2.270 -2.533 -3.083 -3.204 -3.328 -3.457 -3.591 -3.730 -3.874 -4.025 -4.183 -4.349 -4.523 -4.707 -4.898 -5.098 -5.303 -5.513 99999.999 99999.999 99999.999 99999.999 99999.999 0.263 0.105 -0.057 -0.222 -0.391 -0.564 -0.743 -0.928 -1.121 -1.323 -1.535 -1.757 -1.989 -2.232 -2.488 -3.031 -3.148 -3.269 -3.394 -3.523 -3.656 -3.794 -3.937 -4.086 -4.241 -4.402 -4.570 -4.744 -4.923 -5.108 -5.295 -5.484 -5.671 99999.999 99999.999 99999.999 0.288 0.126 -0.038 -0.204 -0.373 -0.547 -0.725 -0.909 -1.100 -1.301 -1.511 -1.730 -1.959 -2.198 -2.447 -2.981 -3.095 -3.213 -3.334 -3.458 -3.587 -3.719 -3.856 -3.998 -4.144 -4.296 -4.452 -4.613 -4.779 -4.948 -5.119 -5.292 -5.464 -5.633 99999.999 99999.999 0.312 0.147 -0.018 -0.186 -0.356 -0.529 -0.707 -0.890 -1.081 -1.279 -1.487 -1.704 -1.930 -2.165 -2.409 -2.933 -3.045 -3.159 -3.277 -3.398 -3.522 -3.650 -3.781 -3.917 -4.056 -4.200 -4.348 -4.499 -4.654 -4.812 -4.972 -5.132 -5.292 -5.450 -5.604 -5.753 0.336 0.168 0.000 -0.168 -0.339 -0.512 -0.689 -0.872 -1.061 -1.258 -1.464 -1.678 -1.901 -2.133 -2.373 -2.887 -2.996 -3.108 -3.223 -3.340 -3.460 -3.584 -3.711 -3.841 -3.975 -4.113 -4.254 -4.398 -4.544 -4.693 -4.844 -4.995 -5.146 -5.295 -5.441 -5.583 0.557 0.359 0.176 -0.001 -0.176 -0.351 -0.526 -0.702 -0.882 -1.067 -1.256 -1.451 -1.651 -1.856 -2.067 -2.505 -2.596 -2.688 -2.781 -2.876 -2.972 -3.070 -3.169 -3.270 -3.372 -3.476 -3.581 -3.688 -3.795 -3.904 -4.014 -4.125 -4.236 -4.348 -4.459 -4.570 0.746 0.528 0.332 0.147 -0.032 -0.207 -0.381 -0.554 -0.727 -0.902 -1.080 -1.261 -1.444 -1.631 -1.821 -2.211 -2.291 -2.371 -2.453 -2.535 -2.617 -2.701 -2.785 -2.871 -2.957 -3.044 -3.133 -3.222 -3.312 -3.402 -3.494 -3.587 -3.680 -3.774 -3.868 -3.963 0.911 0.677 0.473 0.282 0.099 -0.078 -0.250 -0.421 -0.590 -0.758 -0.927 -1.097 -1.268 -1.441 -1.616 -1.971 -2.043 -2.115 -2.188 -2.261 -2.335 -2.409 -2.484 -2.560 -2.635 -2.712 -2.789 -2.867 -2.946 -3.025 -3.105 -3.185 -3.266 -3.348 -3.430 -3.513 1.057 0.812 0.600 0.404 0.219 0.041 -0.132 -0.300 -0.465 -0.629 -0.791 -0.953 -1.114 -1.277 -1.440 -1.768 -1.834 -1.900 -1.966 -2.033 -2.100 -2.168 -2.235 -2.304 -2.372 -2.441 -2.510 -2.580 -2.650 -2.721 -2.793 -2.865 -2.937 -3.010 -3.083 -3.157 1.186 0.934 0.716 0.517 0.329 0.150 -0.022 -0.189 -0.352 -0.512 -0.668 -0.824 -0.978 -1.131 -1.285 -1.591 -1.653 -1.714 -1.776 -1.837 -1.899 -1.962 -2.024 -2.086 -2.149 -2.212 -2.276 -2.340 -2.404 -2.468 -2.533 -2.598 -2.664 -2.731 -2.797 -2.864 1.302 1.046 0.824 0.621 0.431 0.251 0.079 -0.087 -0.248 -0.404 -0.557 -0.707 -0.855 -1.001 -1.147 -1.436 -1.493 -1.551 -1.609 -1.666 -1.724 -1.782 -1.840 -1.898 -1.956 -2.015 -2.074 -2.133 -2.192 -2.252 -2.312 -2.372 -2.433 -2.494 -2.555 -2.617 1.407 1.149 0.924 0.718 0.527 0.346 0.174 0.008 -0.151 -0.305 -0.454 -0.600 -0.743 -0.883 -1.022 -1.297 -1.351 -1.406 -1.460 -1.514 -1.569 -1.623 -1.678 -1.732 -1.787 -1.842 -1.897 -1.952 -2.008 -2.063 -2.119 -2.175 -2.232 -2.289 -2.346 -2.404 99999.999 1.245 1.017 0.809 0.617 0.435 0.262 0.098 -0.060 -0.212 -0.359 -0.501 -0.640 -0.775 -0.909 -1.171 -1.223 -1.275 -1.326 -1.378 -1.430 -1.481 -1.533 -1.584 -1.636 -1.688 -1.740 -1.792 -1.844 -1.897 -1.950 -2.003 -2.056 -2.109 -2.163 -2.218 tin,native Sn P-T:All Wt.(g/mol) = 118.690 V(cc/mol) = 16.289 D(g/cc) = 7.287 Ref: Shock07 5 1.000 42 0.250 6 1.000 2 -0.250 4 -2.250 1 14.385 13.238 12.277 11.463 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.385 13.238 12.277 11.463 10.765 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.385 13.239 12.277 11.463 10.766 10.162 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.386 13.239 12.278 11.463 10.766 10.162 9.633 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.387 13.240 12.278 11.464 10.767 10.163 9.634 9.165 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.388 13.241 12.280 11.466 10.768 10.164 9.635 9.166 8.748 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.390 13.244 12.282 11.468 10.770 10.166 9.637 9.168 8.750 8.371 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.394 13.247 12.285 11.470 10.773 10.169 9.639 9.171 8.752 8.374 8.001 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.398 13.251 12.289 11.474 10.776 10.172 9.643 9.175 8.756 8.378 8.006 7.651 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.404 13.256 12.294 11.479 10.781 10.177 9.648 9.180 8.761 8.383 8.012 7.659 7.330 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.411 13.264 12.301 11.486 10.788 10.183 9.654 9.186 8.768 8.390 8.020 7.668 7.340 7.047 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.420 13.273 12.310 11.494 10.796 10.191 9.662 9.194 8.776 8.399 8.030 7.680 7.354 7.054 6.835 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.427 13.280 12.316 11.501 10.802 10.197 9.668 9.200 8.783 8.406 8.038 7.689 7.365 7.064 6.796 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.437 13.289 12.326 11.510 10.811 10.206 9.677 9.209 8.792 8.416 8.048 7.702 7.380 7.080 6.791 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.447 13.299 12.335 11.519 10.819 10.214 9.685 9.217 8.800 8.425 8.059 7.714 7.395 7.099 6.806 8.137 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.456 13.308 12.344 11.527 10.828 10.223 9.693 9.226 8.809 8.434 8.069 7.726 7.410 7.117 6.829 7.148 7.553 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.465 13.318 12.353 11.536 10.836 10.231 9.701 9.234 8.817 8.443 8.079 7.737 7.424 7.135 6.854 6.901 7.033 7.284 7.651 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.474 13.327 12.362 11.544 10.844 10.239 9.709 9.242 8.826 8.452 8.088 7.748 7.437 7.152 6.878 6.788 6.832 6.933 7.104 7.342 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.483 13.335 12.370 11.553 10.852 10.247 9.717 9.250 8.834 8.460 8.097 7.759 7.450 7.168 6.902 6.725 6.728 6.764 6.840 6.964 7.129 7.313 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.491 13.344 12.379 11.561 10.860 10.254 9.725 9.258 8.842 8.468 8.106 7.769 7.462 7.183 6.923 6.686 6.666 6.668 6.696 6.755 6.846 6.965 7.100 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.499 13.352 12.387 11.569 10.868 10.262 9.732 9.265 8.850 8.477 8.115 7.778 7.473 7.197 6.942 6.660 6.626 6.608 6.608 6.629 6.673 6.742 6.830 6.931 7.034 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.507 13.361 12.395 11.577 10.876 10.269 9.740 9.273 8.857 8.485 8.123 7.787 7.484 7.209 6.959 6.643 6.600 6.568 6.550 6.548 6.563 6.596 6.648 6.714 6.791 6.872 6.952 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.515 13.369 12.403 11.584 10.883 10.277 9.747 9.280 8.865 8.492 8.132 7.796 7.493 7.220 6.974 6.632 6.581 6.541 6.511 6.493 6.488 6.498 6.522 6.561 6.612 6.671 6.736 6.801 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.522 13.377 12.411 11.592 10.891 10.284 9.754 9.287 8.872 8.500 8.140 7.805 7.503 7.230 6.986 6.624 6.569 6.522 6.483 6.454 6.436 6.429 6.434 6.452 6.480 6.519 6.565 6.617 6.671 6.726 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.530 13.385 12.419 11.600 10.898 10.291 9.761 9.294 8.879 8.507 8.147 7.813 7.511 7.240 6.997 6.620 6.561 6.508 6.463 6.427 6.398 6.380 6.371 6.372 6.384 6.405 6.434 6.470 6.512 6.557 6.604 99999.999 99999.999 99999.999 99999.999 99999.999 14.537 13.392 12.427 11.607 10.905 10.298 9.768 9.302 8.886 8.515 8.155 7.821 7.519 7.248 7.006 6.618 6.555 6.499 6.449 6.407 6.371 6.343 6.324 6.313 6.312 6.318 6.333 6.355 6.384 6.417 6.454 6.495 6.538 99999.999 99999.999 99999.999 14.544 13.400 12.434 11.614 10.912 10.305 9.775 9.308 8.893 8.522 8.162 7.829 7.527 7.256 7.013 6.617 6.552 6.493 6.440 6.392 6.351 6.316 6.289 6.269 6.257 6.253 6.255 6.265 6.282 6.304 6.330 6.361 6.396 6.434 99999.999 99999.999 14.550 13.407 12.441 11.622 10.920 10.312 9.782 9.315 8.900 8.529 8.170 7.836 7.535 7.263 7.020 6.618 6.551 6.489 6.433 6.382 6.336 6.296 6.263 6.236 6.216 6.202 6.195 6.195 6.200 6.212 6.229 6.250 6.276 6.306 6.339 6.375 14.557 13.414 12.449 11.629 10.926 10.319 9.789 9.322 8.907 8.536 8.177 7.843 7.542 7.270 7.026 6.619 6.551 6.487 6.428 6.374 6.325 6.281 6.243 6.210 6.184 6.163 6.148 6.139 6.136 6.138 6.146 6.159 6.176 6.197 6.222 6.251 14.614 13.480 12.516 11.695 10.991 10.382 9.851 9.384 8.970 8.600 8.243 7.911 7.610 7.337 7.089 6.662 6.587 6.514 6.445 6.378 6.315 6.254 6.196 6.141 6.088 6.038 5.991 5.947 5.905 5.866 5.829 5.795 5.763 5.735 5.708 5.684 14.657 13.537 12.575 11.754 11.049 10.439 9.907 9.440 9.026 8.657 8.300 7.970 7.670 7.398 7.150 6.718 6.641 6.566 6.495 6.425 6.358 6.294 6.231 6.171 6.113 6.057 6.003 5.951 5.900 5.852 5.805 5.759 5.716 5.673 5.633 5.593 14.690 13.585 12.628 11.807 11.102 10.491 9.958 9.490 9.076 8.707 8.352 8.022 7.724 7.452 7.205 6.773 6.696 6.621 6.548 6.478 6.410 6.345 6.281 6.220 6.160 6.102 6.046 5.992 5.939 5.888 5.838 5.789 5.742 5.696 5.651 5.607 14.715 13.627 12.675 11.856 11.151 10.539 10.005 9.537 9.122 8.754 8.398 8.070 7.772 7.502 7.256 6.825 6.747 6.672 6.600 6.530 6.462 6.396 6.332 6.270 6.210 6.152 6.096 6.041 5.987 5.935 5.884 5.835 5.787 5.740 5.694 5.649 14.733 13.665 12.719 11.902 11.196 10.584 10.050 9.580 9.165 8.797 8.442 8.113 7.816 7.547 7.302 6.873 6.795 6.720 6.648 6.578 6.510 6.445 6.381 6.319 6.259 6.201 6.145 6.090 6.036 5.984 5.933 5.884 5.836 5.788 5.742 5.697 14.745 13.698 12.759 11.944 11.239 10.626 10.091 9.621 9.206 8.837 8.482 8.154 7.858 7.589 7.344 6.917 6.840 6.765 6.693 6.623 6.556 6.490 6.427 6.365 6.306 6.248 6.191 6.137 6.083 6.031 5.981 5.932 5.884 5.837 5.791 5.746 14.753 13.729 12.797 11.984 11.280 10.667 10.131 9.661 9.245 8.875 8.520 8.192 7.896 7.628 7.384 6.958 6.881 6.807 6.735 6.665 6.598 6.533 6.470 6.408 6.349 6.291 6.235 6.181 6.128 6.076 6.026 5.977 5.929 5.882 5.837 5.792 99999.999 13.757 12.832 12.022 11.318 10.706 10.169 9.698 9.282 8.912 8.556 8.228 7.932 7.664 7.421 6.996 6.919 6.845 6.774 6.705 6.638 6.573 6.510 6.449 6.389 6.332 6.276 6.222 6.169 6.118 6.068 6.019 5.972 5.925 5.880 5.836 tin,native Sn P-T:All Wt.(g/mol) = 118.690 V(cc/mol) = 16.289 D(g/cc) = 7.287 Ref: Shock07 4 1.000 42 1.000 2 -0.500 31 -2.000 1 52.410 47.817 43.887 40.491 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.410 47.817 43.887 40.491 37.528 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.410 47.818 43.887 40.492 37.528 34.916 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.412 47.819 43.888 40.493 37.529 34.917 32.593 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.414 47.822 43.891 40.495 37.531 34.919 32.595 30.509 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.417 47.825 43.894 40.498 37.534 34.922 32.598 30.512 28.625 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.423 47.830 43.899 40.503 37.539 34.926 32.602 30.517 28.630 26.907 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.430 47.837 43.906 40.509 37.545 34.933 32.609 30.523 28.636 26.914 25.301 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.441 47.847 43.915 40.518 37.554 34.941 32.617 30.532 28.645 26.924 25.312 23.800 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.455 47.861 43.928 40.530 37.566 34.953 32.629 30.544 28.657 26.937 25.327 23.817 22.393 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.473 47.878 43.944 40.546 37.581 34.968 32.644 30.559 28.673 26.954 25.346 23.840 22.423 21.067 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.496 47.900 43.965 40.567 37.600 34.987 32.662 30.578 28.693 26.975 25.369 23.869 22.459 21.114 19.802 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.514 47.917 43.982 40.582 37.615 35.001 32.677 30.593 28.708 26.991 25.388 23.891 22.487 21.149 19.831 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.539 47.942 44.005 40.604 37.637 35.022 32.698 30.614 28.730 27.014 25.413 23.921 22.525 21.199 19.893 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.564 47.966 44.028 40.626 37.658 35.043 32.718 30.634 28.751 27.036 25.438 23.950 22.561 21.247 19.960 18.806 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.588 47.989 44.050 40.648 37.679 35.063 32.738 30.654 28.772 27.058 25.462 23.978 22.595 21.292 20.026 18.353 18.179 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.612 48.013 44.073 40.669 37.699 35.083 32.758 30.674 28.792 27.080 25.485 24.005 22.628 21.335 20.088 18.263 17.961 17.716 17.493 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.636 48.036 44.095 40.690 37.720 35.103 32.778 30.694 28.812 27.101 25.508 24.031 22.659 21.375 20.145 18.240 17.897 17.587 17.309 17.046 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.660 48.059 44.117 40.711 37.740 35.123 32.797 30.713 28.832 27.121 25.530 24.056 22.689 21.412 20.198 18.241 17.880 17.541 17.225 16.931 16.648 16.354 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.683 48.082 44.139 40.732 37.760 35.142 32.816 30.733 28.852 27.142 25.552 24.080 22.717 21.447 20.247 18.252 17.882 17.529 17.193 16.876 16.574 16.281 15.985 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.707 48.104 44.160 40.753 37.780 35.162 32.835 30.752 28.871 27.162 25.573 24.103 22.744 21.480 20.291 18.268 17.893 17.532 17.186 16.854 16.537 16.233 15.936 15.641 15.338 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.729 48.126 44.181 40.773 37.799 35.181 32.854 30.770 28.890 27.181 25.594 24.126 22.769 21.510 20.330 18.287 17.909 17.543 17.190 16.850 16.524 16.209 15.905 15.608 15.315 15.020 14.722 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.752 48.148 44.202 40.793 37.819 35.199 32.873 30.789 28.908 27.200 25.614 24.147 22.794 21.538 20.366 18.308 17.928 17.559 17.202 16.857 16.523 16.202 15.890 15.588 15.294 15.004 14.716 14.429 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.774 48.170 44.223 40.813 37.838 35.218 32.891 30.807 28.927 27.219 25.634 24.169 22.817 21.564 20.398 18.330 17.948 17.578 17.218 16.869 16.532 16.204 15.888 15.581 15.282 14.991 14.706 14.425 14.148 13.874 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 52.796 48.192 44.244 40.833 37.857 35.236 32.909 30.825 28.945 27.238 25.653 24.189 22.839 21.589 20.427 18.352 17.969 17.598 17.236 16.885 16.545 16.214 15.893 15.582 15.280 14.986 14.699 14.419 14.145 13.876 13.612 99999.999 99999.999 99999.999 99999.999 99999.999 52.818 48.213 44.264 40.852 37.876 35.255 32.927 30.843 28.963 27.256 25.672 24.209 22.860 21.612 20.453 18.374 17.991 17.619 17.256 16.904 16.561 16.228 15.905 15.590 15.285 14.987 14.698 14.417 14.142 13.874 13.612 13.357 13.109 99999.999 99999.999 99999.999 52.840 48.234 44.285 40.872 37.894 35.273 32.945 30.860 28.981 27.274 25.691 24.229 22.881 21.634 20.476 18.396 18.013 17.640 17.277 16.924 16.580 16.245 15.919 15.602 15.294 14.995 14.703 14.419 14.143 13.874 13.612 13.357 13.110 12.870 99999.999 99999.999 52.861 48.255 44.305 40.891 37.913 35.291 32.962 30.878 28.998 27.292 25.709 24.248 22.901 21.655 20.499 18.418 18.035 17.662 17.298 16.944 16.599 16.264 15.936 15.618 15.308 15.006 14.712 14.426 14.148 13.877 13.614 13.358 13.110 12.869 12.636 12.412 52.882 48.276 44.325 40.910 37.931 35.309 32.980 30.895 29.016 27.310 25.727 24.266 22.920 21.675 20.520 18.440 18.057 17.684 17.320 16.965 16.620 16.283 15.955 15.635 15.324 15.020 14.725 14.437 14.157 13.884 13.619 13.362 13.111 12.869 12.634 12.407 53.083 48.475 44.516 41.093 38.107 35.478 33.145 31.059 29.179 27.475 25.896 24.440 23.100 21.861 20.712 18.644 18.263 17.892 17.529 17.176 16.831 16.494 16.165 15.843 15.529 15.221 14.921 14.627 14.339 14.058 13.783 13.514 13.250 12.993 12.741 12.496 53.267 48.660 44.695 41.264 38.271 35.637 33.299 31.209 29.329 27.625 26.047 24.594 23.257 22.023 20.879 18.822 18.444 18.074 17.714 17.363 17.021 16.686 16.359 16.040 15.728 15.423 15.124 14.832 14.545 14.265 13.990 13.721 13.457 13.199 12.945 12.696 53.439 48.834 44.863 41.426 38.426 35.786 33.444 31.351 29.468 27.763 26.186 24.734 23.400 22.169 21.028 18.980 18.603 18.235 17.878 17.528 17.188 16.856 16.531 16.214 15.904 15.601 15.305 15.015 14.731 14.453 14.180 13.913 13.651 13.395 13.143 12.895 53.600 48.999 45.024 41.580 38.574 35.928 33.581 31.484 29.599 27.892 26.315 24.864 23.531 22.302 21.164 19.121 18.746 18.380 18.024 17.676 17.337 17.007 16.684 16.369 16.061 15.760 15.465 15.178 14.896 14.620 14.349 14.084 13.825 13.570 13.320 13.075 53.753 49.158 45.178 41.729 38.716 36.065 33.713 31.612 29.723 28.015 26.437 24.985 23.653 22.425 21.288 19.251 18.876 18.512 18.156 17.810 17.473 17.143 16.822 16.508 16.202 15.902 15.610 15.323 15.043 14.769 14.500 14.237 13.979 13.726 13.479 13.235 53.900 49.311 45.327 41.872 38.854 36.197 33.840 31.735 29.843 28.132 26.552 25.100 23.768 22.540 21.405 19.371 18.997 18.633 18.279 17.933 17.597 17.268 16.948 16.635 16.330 16.032 15.740 15.455 15.176 14.904 14.636 14.375 14.118 13.867 13.621 13.379 54.041 49.459 45.472 42.011 38.987 36.325 33.963 31.854 29.959 28.245 26.663 25.210 23.877 22.649 21.515 19.482 19.109 18.746 18.392 18.047 17.712 17.384 17.065 16.753 16.448 16.151 15.860 15.576 15.299 15.027 14.761 14.500 14.245 13.995 13.750 13.509 99999.999 49.603 45.613 42.147 39.117 36.449 34.083 31.970 30.071 28.355 26.770 25.315 23.981 22.753 21.619 19.588 19.215 18.852 18.499 18.154 17.819 17.492 17.173 16.862 16.558 16.262 15.972 15.688 15.411 15.140 14.875 14.615 14.361 14.112 13.867 13.628 uraninite UO2 P-T:All Wt.(g/mol) = 270.030 V(cc/mol) = 24.638 D(g/cc) = 10.960 Ref: Shock07 5 -2.250 1 1.000 2 1.000 30 0.250 6 -0.250 4 -5.486 -5.453 -5.394 -5.322 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.486 -5.453 -5.394 -5.322 -5.247 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.486 -5.453 -5.394 -5.322 -5.247 -5.173 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.487 -5.453 -5.394 -5.322 -5.247 -5.172 -5.102 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.487 -5.453 -5.394 -5.322 -5.247 -5.172 -5.102 -5.038 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.487 -5.454 -5.394 -5.322 -5.246 -5.172 -5.102 -5.038 -4.982 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.488 -5.454 -5.393 -5.322 -5.246 -5.171 -5.101 -5.037 -4.981 -4.934 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.489 -5.454 -5.393 -5.321 -5.245 -5.170 -5.100 -5.036 -4.979 -4.932 -4.898 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.490 -5.454 -5.393 -5.321 -5.244 -5.169 -5.098 -5.034 -4.977 -4.929 -4.894 -4.873 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.492 -5.454 -5.393 -5.320 -5.243 -5.168 -5.097 -5.031 -4.974 -4.926 -4.889 -4.867 -4.855 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.494 -5.455 -5.392 -5.319 -5.242 -5.166 -5.094 -5.028 -4.970 -4.921 -4.883 -4.858 -4.845 -4.821 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.497 -5.456 -5.392 -5.318 -5.240 -5.164 -5.091 -5.025 -4.965 -4.915 -4.875 -4.847 -4.832 -4.818 -4.712 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.500 -5.456 -5.392 -5.317 -5.239 -5.162 -5.089 -5.022 -4.962 -4.910 -4.869 -4.839 -4.821 -4.809 -4.779 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.504 -5.458 -5.392 -5.316 -5.237 -5.160 -5.086 -5.018 -4.957 -4.904 -4.861 -4.828 -4.805 -4.792 -4.797 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.508 -5.459 -5.392 -5.315 -5.236 -5.158 -5.083 -5.014 -4.952 -4.898 -4.853 -4.817 -4.790 -4.773 -4.783 -1.977 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.513 -5.460 -5.392 -5.314 -5.234 -5.156 -5.080 -5.011 -4.948 -4.892 -4.845 -4.806 -4.775 -4.753 -4.758 -3.526 -2.758 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.517 -5.462 -5.392 -5.314 -5.233 -5.154 -5.078 -5.007 -4.943 -4.887 -4.838 -4.796 -4.761 -4.733 -4.729 -3.912 -3.570 -3.046 -2.330 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.522 -5.464 -5.392 -5.313 -5.232 -5.152 -5.075 -5.004 -4.939 -4.882 -4.831 -4.787 -4.748 -4.714 -4.700 -4.090 -3.885 -3.596 -3.199 -2.694 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.527 -5.466 -5.392 -5.313 -5.231 -5.150 -5.073 -5.001 -4.935 -4.877 -4.825 -4.778 -4.736 -4.697 -4.672 -4.192 -4.049 -3.861 -3.613 -3.294 -2.909 -2.488 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.532 -5.467 -5.393 -5.312 -5.230 -5.148 -5.070 -4.998 -4.931 -4.872 -4.818 -4.770 -4.725 -4.682 -4.647 -4.258 -4.150 -4.013 -3.841 -3.623 -3.358 -3.049 -2.713 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.537 -5.470 -5.394 -5.312 -5.229 -5.147 -5.068 -4.995 -4.928 -4.867 -4.812 -4.762 -4.715 -4.668 -4.625 -4.302 -4.216 -4.111 -3.981 -3.822 -3.630 -3.404 -3.146 -2.869 -2.587 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.543 -5.472 -5.394 -5.312 -5.228 -5.145 -5.066 -4.992 -4.924 -4.863 -4.807 -4.755 -4.706 -4.656 -4.606 -4.334 -4.262 -4.177 -4.075 -3.952 -3.806 -3.635 -3.437 -3.218 -2.983 -2.741 -2.502 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.549 -5.474 -5.395 -5.312 -5.227 -5.144 -5.064 -4.989 -4.921 -4.858 -4.801 -4.749 -4.697 -4.645 -4.591 -4.357 -4.295 -4.224 -4.140 -4.042 -3.926 -3.792 -3.637 -3.463 -3.272 -3.068 -2.857 -2.645 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.554 -5.477 -5.396 -5.312 -5.226 -5.142 -5.062 -4.987 -4.917 -4.854 -4.796 -4.742 -4.690 -4.636 -4.578 -4.373 -4.320 -4.258 -4.188 -4.106 -4.011 -3.902 -3.778 -3.638 -3.482 -3.313 -3.133 -2.947 -2.757 -2.568 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -5.560 -5.479 -5.397 -5.312 -5.226 -5.141 -5.060 -4.984 -4.914 -4.850 -4.791 -4.737 -4.683 -4.628 -4.569 -4.385 -4.338 -4.284 -4.223 -4.153 -4.074 -3.983 -3.881 -3.766 -3.637 -3.497 -3.345 -3.185 -3.018 -2.847 -2.673 99999.999 99999.999 99999.999 99999.999 99999.999 -5.566 -5.482 -5.398 -5.312 -5.225 -5.140 -5.058 -4.982 -4.911 -4.846 -4.787 -4.731 -4.677 -4.622 -4.561 -4.394 -4.351 -4.303 -4.249 -4.189 -4.121 -4.044 -3.957 -3.861 -3.754 -3.636 -3.508 -3.370 -3.226 -3.074 -2.919 -2.760 -2.598 99999.999 99999.999 99999.999 -5.573 -5.484 -5.399 -5.312 -5.224 -5.139 -5.057 -4.980 -4.908 -4.843 -4.782 -4.726 -4.672 -4.616 -4.555 -4.400 -4.361 -4.317 -4.269 -4.216 -4.156 -4.090 -4.016 -3.933 -3.842 -3.742 -3.633 -3.516 -3.391 -3.259 -3.121 -2.978 -2.832 -2.682 99999.999 99999.999 -5.579 -5.487 -5.400 -5.312 -5.224 -5.138 -5.055 -4.977 -4.905 -4.839 -4.778 -4.721 -4.666 -4.611 -4.551 -4.404 -4.368 -4.328 -4.284 -4.236 -4.184 -4.125 -4.061 -3.990 -3.911 -3.825 -3.732 -3.630 -3.522 -3.407 -3.285 -3.159 -3.027 -2.892 -2.753 -2.610 -5.586 -5.490 -5.401 -5.312 -5.224 -5.137 -5.054 -4.975 -4.902 -4.835 -4.774 -4.717 -4.661 -4.606 -4.547 -4.407 -4.373 -4.336 -4.296 -4.252 -4.205 -4.153 -4.096 -4.033 -3.965 -3.890 -3.809 -3.721 -3.627 -3.526 -3.420 -3.308 -3.191 -3.069 -2.944 -2.814 -5.658 -5.524 -5.417 -5.318 -5.223 -5.130 -5.042 -4.958 -4.879 -4.806 -4.738 -4.676 -4.616 -4.560 -4.504 -4.390 -4.366 -4.342 -4.317 -4.292 -4.266 -4.239 -4.212 -4.183 -4.154 -4.123 -4.092 -4.059 -4.025 -3.989 -3.952 -3.913 -3.872 -3.830 -3.786 -3.741 -5.740 -5.564 -5.439 -5.329 -5.226 -5.128 -5.035 -4.947 -4.863 -4.785 -4.711 -4.643 -4.579 -4.519 -4.461 -4.350 -4.328 -4.306 -4.285 -4.263 -4.241 -4.220 -4.198 -4.177 -4.155 -4.134 -4.112 -4.091 -4.069 -4.047 -4.026 -4.004 -3.982 -3.960 -3.937 -3.915 -5.830 -5.610 -5.464 -5.343 -5.233 -5.130 -5.032 -4.939 -4.851 -4.769 -4.691 -4.618 -4.549 -4.485 -4.424 -4.309 -4.287 -4.265 -4.244 -4.223 -4.202 -4.181 -4.161 -4.141 -4.121 -4.102 -4.083 -4.064 -4.046 -4.027 -4.010 -3.992 -3.975 -3.959 -3.942 -3.926 -5.926 -5.659 -5.493 -5.360 -5.242 -5.134 -5.031 -4.935 -4.843 -4.757 -4.675 -4.598 -4.525 -4.457 -4.392 -4.271 -4.248 -4.226 -4.204 -4.182 -4.161 -4.140 -4.120 -4.100 -4.080 -4.061 -4.042 -4.024 -4.006 -3.988 -3.971 -3.955 -3.939 -3.923 -3.908 -3.894 -6.027 -5.712 -5.524 -5.379 -5.254 -5.140 -5.033 -4.933 -4.838 -4.748 -4.662 -4.581 -4.505 -4.433 -4.365 -4.238 -4.214 -4.191 -4.168 -4.145 -4.123 -4.102 -4.080 -4.060 -4.039 -4.020 -4.000 -3.981 -3.963 -3.945 -3.928 -3.911 -3.895 -3.879 -3.864 -3.849 -6.132 -5.767 -5.558 -5.400 -5.267 -5.147 -5.036 -4.933 -4.834 -4.741 -4.653 -4.569 -4.489 -4.413 -4.342 -4.209 -4.184 -4.160 -4.136 -4.112 -4.089 -4.067 -4.045 -4.023 -4.002 -3.981 -3.961 -3.941 -3.922 -3.904 -3.886 -3.868 -3.851 -3.835 -3.819 -3.804 -6.240 -5.824 -5.592 -5.423 -5.281 -5.156 -5.041 -4.934 -4.832 -4.736 -4.645 -4.558 -4.476 -4.397 -4.323 -4.184 -4.158 -4.133 -4.108 -4.083 -4.059 -4.036 -4.013 -3.990 -3.968 -3.946 -3.925 -3.905 -3.885 -3.866 -3.847 -3.828 -3.810 -3.793 -3.777 -3.760 99999.999 -5.883 -5.628 -5.446 -5.297 -5.166 -5.047 -4.936 -4.832 -4.733 -4.639 -4.550 -4.465 -4.383 -4.306 -4.163 -4.136 -4.109 -4.083 -4.058 -4.033 -4.008 -3.984 -3.961 -3.938 -3.915 -3.894 -3.872 -3.851 -3.831 -3.811 -3.792 -3.774 -3.755 -3.738 -3.721 uraninite UO2 P-T:All Wt.(g/mol) = 270.030 V(cc/mol) = 24.638 D(g/cc) = 10.960 Ref: Shock07 4 -2.000 1 1.000 2 1.000 30 -0.500 31 32.538 29.126 26.216 23.706 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.538 29.126 26.216 23.706 21.515 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.539 29.126 26.216 23.706 21.516 19.582 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.539 29.127 26.217 23.707 21.516 19.583 17.858 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.540 29.128 26.218 23.708 21.518 19.584 17.859 16.306 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.542 29.130 26.220 23.710 21.520 19.586 17.862 16.308 14.896 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.545 29.133 26.223 23.713 21.523 19.589 17.865 16.312 14.899 13.602 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.548 29.137 26.228 23.718 21.527 19.594 17.869 16.317 14.905 13.608 12.402 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.553 29.143 26.233 23.724 21.533 19.600 17.876 16.323 14.912 13.617 12.412 11.275 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.559 29.150 26.241 23.731 21.541 19.608 17.884 16.333 14.922 13.628 12.425 11.292 10.209 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.568 29.160 26.251 23.742 21.551 19.618 17.895 16.344 14.935 13.642 12.443 11.314 10.237 9.200 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.578 29.172 26.264 23.754 21.564 19.632 17.909 16.359 14.951 13.661 12.465 11.342 10.274 9.242 8.255 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.586 29.181 26.274 23.764 21.574 19.642 17.920 16.371 14.964 13.675 12.481 11.363 10.301 9.277 8.255 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.598 29.195 26.288 23.779 21.589 19.657 17.935 16.387 14.981 13.694 12.504 11.392 10.339 9.327 8.305 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.609 29.208 26.301 23.792 21.603 19.671 17.950 16.402 14.998 13.713 12.526 11.419 10.376 9.376 8.371 8.692 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.619 29.221 26.315 23.806 21.616 19.685 17.965 16.418 15.015 13.732 12.548 11.446 10.410 9.423 8.439 7.678 7.868 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.630 29.233 26.328 23.820 21.630 19.699 17.979 16.433 15.031 13.750 12.569 11.471 10.443 9.467 8.505 7.450 7.358 7.386 7.512 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.640 29.246 26.341 23.833 21.644 19.713 17.993 16.448 15.047 13.767 12.589 11.496 10.474 9.509 8.567 7.362 7.180 7.058 7.006 7.010 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.650 29.258 26.354 23.846 21.657 19.726 18.007 16.463 15.063 13.785 12.608 11.519 10.503 9.547 8.625 7.324 7.103 6.916 6.772 6.674 6.611 6.553 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.660 29.270 26.367 23.859 21.670 19.740 18.021 16.477 15.079 13.802 12.627 11.541 10.530 9.583 8.677 7.309 7.066 6.847 6.657 6.498 6.371 6.268 6.173 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.670 29.282 26.379 23.872 21.683 19.753 18.035 16.491 15.094 13.818 12.646 11.562 10.556 9.615 8.723 7.306 7.051 6.813 6.597 6.403 6.234 6.088 5.960 5.840 5.717 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.679 29.294 26.392 23.885 21.696 19.766 18.048 16.505 15.109 13.834 12.664 11.583 10.580 9.645 8.765 7.311 7.047 6.798 6.565 6.350 6.155 5.978 5.820 5.676 5.541 5.407 5.268 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.688 29.306 26.404 23.897 21.708 19.779 18.061 16.519 15.123 13.850 12.681 11.602 10.603 9.673 8.801 7.320 7.051 6.794 6.551 6.322 6.109 5.912 5.731 5.565 5.410 5.265 5.123 4.983 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.697 29.317 26.416 23.909 21.721 19.791 18.074 16.533 15.138 13.865 12.698 11.621 10.624 9.698 8.833 7.332 7.059 6.798 6.547 6.309 6.084 5.873 5.675 5.491 5.320 5.159 5.007 4.861 4.719 4.580 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 32.706 29.328 26.428 23.922 21.733 19.804 18.087 16.546 15.152 13.880 12.714 11.639 10.644 9.721 8.861 7.347 7.071 6.805 6.550 6.306 6.073 5.851 5.642 5.444 5.259 5.085 4.920 4.764 4.615 4.472 4.335 99999.999 99999.999 99999.999 99999.999 99999.999 32.715 29.339 26.440 23.934 21.745 19.816 18.100 16.559 15.166 13.895 12.730 11.657 10.664 9.742 8.886 7.362 7.085 6.817 6.558 6.309 6.070 5.841 5.623 5.416 5.219 5.033 4.858 4.691 4.533 4.383 4.239 4.103 3.973 99999.999 99999.999 99999.999 32.723 29.350 26.452 23.946 21.758 19.829 18.112 16.572 15.179 13.910 12.746 11.674 10.682 9.762 8.908 7.379 7.100 6.830 6.568 6.316 6.073 5.839 5.614 5.400 5.195 5.000 4.814 4.638 4.471 4.312 4.161 4.018 3.882 3.755 99999.999 99999.999 32.731 29.361 26.463 23.957 21.769 19.841 18.125 16.585 15.193 13.924 12.762 11.690 10.700 9.781 8.928 7.396 7.116 6.845 6.581 6.326 6.080 5.842 5.613 5.392 5.181 4.979 4.786 4.601 4.426 4.259 4.100 3.949 3.806 3.671 3.545 3.427 32.740 29.372 26.475 23.969 21.781 19.853 18.137 16.598 15.206 13.938 12.777 11.706 10.717 9.799 8.947 7.414 7.133 6.860 6.596 6.339 6.090 5.849 5.616 5.392 5.175 4.968 4.768 4.577 4.394 4.220 4.053 3.895 3.745 3.603 3.468 3.343 32.812 29.471 26.583 24.080 21.893 19.966 18.252 16.716 15.330 14.069 12.915 11.854 10.873 9.964 9.119 7.592 7.310 7.035 6.767 6.506 6.250 6.001 5.757 5.519 5.287 5.060 4.838 4.621 4.410 4.203 4.002 3.806 3.614 3.428 3.247 3.070 32.870 29.560 26.681 24.181 21.996 20.069 18.357 16.823 15.440 14.183 13.036 11.981 11.008 10.106 9.268 7.754 7.475 7.202 6.935 6.675 6.421 6.173 5.930 5.692 5.459 5.232 5.009 4.790 4.576 4.366 4.160 3.958 3.760 3.566 3.375 3.187 32.919 29.640 26.771 24.275 22.091 20.165 18.454 16.921 15.540 14.287 13.144 12.094 11.127 10.231 9.399 7.898 7.620 7.350 7.086 6.828 6.576 6.330 6.089 5.854 5.623 5.397 5.176 4.959 4.747 4.538 4.333 4.132 3.934 3.740 3.549 3.361 32.959 29.713 26.856 24.364 22.181 20.256 18.544 17.013 15.633 14.382 13.242 12.197 11.234 10.343 9.516 8.025 7.750 7.482 7.220 6.964 6.714 6.471 6.232 5.999 5.770 5.547 5.328 5.113 4.903 4.697 4.494 4.295 4.099 3.907 3.718 3.532 32.993 29.781 26.935 24.448 22.266 20.341 18.630 17.099 15.720 14.471 13.333 12.290 11.331 10.445 9.622 8.140 7.867 7.600 7.340 7.087 6.839 6.597 6.360 6.129 5.903 5.682 5.465 5.252 5.044 4.840 4.639 4.442 4.249 4.059 3.872 3.689 33.022 29.845 27.011 24.528 22.348 20.423 18.712 17.181 15.803 14.555 13.418 12.378 11.421 10.538 9.719 8.245 7.973 7.708 7.450 7.198 6.952 6.711 6.477 6.247 6.023 5.803 5.588 5.377 5.171 4.968 4.770 4.575 4.384 4.196 4.011 3.829 33.047 29.905 27.083 24.604 22.426 20.502 18.791 17.260 15.882 14.634 13.498 12.460 11.505 10.624 9.808 8.341 8.070 7.807 7.550 7.299 7.054 6.816 6.582 6.354 6.131 5.913 5.700 5.491 5.286 5.085 4.888 4.695 4.505 4.319 4.136 3.956 99999.999 29.963 27.153 24.678 22.502 20.578 18.867 17.336 15.958 14.710 13.575 12.537 11.584 10.706 9.892 8.429 8.160 7.898 7.642 7.392 7.149 6.911 6.679 6.453 6.231 6.014 5.802 5.594 5.391 5.191 4.996 4.804 4.616 4.431 4.250 4.071 wurtzite ZnS P-T:All Wt.(g/mol) = 97.430 V(cc/mol) = 23.846 D(g/cc) = 4.086 Ref: Shock07 3 1.000 15 1.000 6 -1.000 1 -9.538 -9.141 -8.865 -8.672 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.537 -9.141 -8.865 -8.672 -8.544 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.537 -9.140 -8.864 -8.671 -8.544 -8.471 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 -9.487 -9.099 -8.826 -8.635 -8.507 -8.433 -8.408 -8.428 -8.493 -8.606 -8.775 -9.017 -9.353 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.467 -9.082 -8.811 -8.620 -8.492 -8.418 -8.392 -8.410 -8.472 -8.581 -8.744 -8.974 -9.293 -9.732 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.441 -9.061 -8.792 -8.602 -8.474 -8.399 -8.371 -8.387 -8.446 -8.549 -8.704 -8.921 -9.219 -9.628 -10.218 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.422 -9.044 -8.777 -8.587 -8.459 -8.384 -8.355 -8.369 -8.426 -8.526 -8.674 -8.882 -9.164 -9.550 -10.137 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.394 -9.021 -8.755 -8.567 -8.439 -8.362 -8.332 -8.344 -8.397 -8.492 -8.633 -8.827 -9.088 -9.441 -9.986 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.367 -8.998 -8.735 -8.547 -8.419 -8.342 -8.310 -8.319 -8.369 -8.460 -8.593 -8.776 -9.017 -9.340 -9.831 -8.522 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.340 -8.976 -8.714 -8.527 -8.399 -8.321 -8.288 -8.295 -8.342 -8.428 -8.555 -8.726 -8.950 -9.245 -9.684 -9.310 -9.042 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.314 -8.954 -8.694 -8.507 -8.380 -8.301 -8.266 -8.272 -8.316 -8.398 -8.518 -8.680 -8.888 -9.156 -9.546 -9.451 -9.402 -9.283 -9.172 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.288 -8.932 -8.674 -8.488 -8.360 -8.281 -8.245 -8.249 -8.290 -8.368 -8.483 -8.635 -8.829 -9.075 -9.420 -9.471 -9.493 -9.481 -9.436 -9.402 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.263 -8.911 -8.654 -8.469 -8.341 -8.262 -8.225 -8.227 -8.265 -8.339 -8.448 -8.593 -8.774 -8.999 -9.305 -9.451 -9.502 -9.536 -9.550 -9.550 -9.561 -9.629 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.238 -8.890 -8.635 -8.451 -8.323 -8.243 -8.204 -8.204 -8.241 -8.311 -8.415 -8.552 -8.722 -8.930 -9.201 -9.415 -9.479 -9.535 -9.580 -9.614 -9.642 -9.681 -9.754 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.214 -8.869 -8.616 -8.432 -8.304 -8.224 -8.184 -8.183 -8.217 -8.284 -8.383 -8.514 -8.674 -8.866 -9.108 -9.371 -9.443 -9.509 -9.570 -9.624 -9.672 -9.719 -9.775 -9.854 -9.968 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.190 -8.848 -8.597 -8.414 -8.286 -8.205 -8.165 -8.162 -8.193 -8.257 -8.353 -8.477 -8.628 -8.807 -9.026 -9.324 -9.399 -9.471 -9.541 -9.606 -9.668 -9.726 -9.786 -9.853 -9.934 -10.038 -10.167 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.167 -8.828 -8.578 -8.396 -8.269 -8.187 -8.145 -8.141 -8.170 -8.231 -8.323 -8.441 -8.585 -8.754 -8.953 -9.275 -9.352 -9.427 -9.501 -9.573 -9.643 -9.710 -9.776 -9.844 -9.917 -10.000 -10.096 -10.206 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.144 -8.809 -8.560 -8.378 -8.251 -8.169 -8.126 -8.120 -8.147 -8.206 -8.294 -8.408 -8.545 -8.705 -8.888 -9.226 -9.303 -9.380 -9.456 -9.532 -9.606 -9.679 -9.751 -9.823 -9.896 -9.972 -10.055 -10.144 -10.242 -10.346 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -9.121 -8.789 -8.542 -8.361 -8.234 -8.151 -8.108 -8.100 -8.125 -8.181 -8.265 -8.375 -8.507 -8.659 -8.831 -9.177 -9.254 -9.331 -9.408 -9.486 -9.563 -9.639 -9.715 -9.790 -9.865 -9.942 -10.020 -10.101 -10.185 -10.273 -10.362 99999.999 99999.999 99999.999 99999.999 99999.999 -9.099 -8.770 -8.524 -8.344 -8.216 -8.133 -8.089 -8.080 -8.103 -8.157 -8.238 -8.344 -8.471 -8.617 -8.781 -9.129 -9.205 -9.281 -9.359 -9.437 -9.515 -9.594 -9.672 -9.750 -9.827 -9.905 -9.983 -10.061 -10.140 -10.220 -10.300 -10.378 -10.453 99999.999 99999.999 99999.999 -9.077 -8.751 -8.506 -8.327 -8.199 -8.116 -8.071 -8.061 -8.082 -8.133 -8.211 -8.314 -8.437 -8.578 -8.735 -9.082 -9.156 -9.232 -9.309 -9.387 -9.466 -9.545 -9.625 -9.704 -9.784 -9.863 -9.941 -10.019 -10.097 -10.174 -10.250 -10.323 -10.393 -10.458 99999.999 99999.999 -9.056 -8.732 -8.489 -8.310 -8.183 -8.099 -8.053 -8.041 -8.061 -8.110 -8.185 -8.285 -8.404 -8.542 -8.694 -9.035 -9.108 -9.183 -9.260 -9.337 -9.416 -9.495 -9.575 -9.656 -9.736 -9.816 -9.896 -9.975 -10.052 -10.129 -10.204 -10.276 -10.344 -10.407 -10.465 -10.514 -9.035 -8.714 -8.472 -8.293 -8.166 -8.082 -8.035 -8.022 -8.040 -8.087 -8.160 -8.256 -8.373 -8.506 -8.655 -8.989 -9.061 -9.135 -9.211 -9.288 -9.366 -9.445 -9.525 -9.605 -9.686 -9.766 -9.847 -9.927 -10.005 -10.082 -10.157 -10.230 -10.298 -10.362 -10.421 -10.473 -8.842 -8.542 -8.311 -8.137 -8.011 -7.924 -7.871 -7.848 -7.851 -7.880 -7.931 -8.002 -8.091 -8.196 -8.313 -8.584 -8.643 -8.704 -8.766 -8.831 -8.897 -8.964 -9.034 -9.104 -9.176 -9.250 -9.325 -9.400 -9.477 -9.554 -9.631 -9.709 -9.786 -9.863 -9.939 -10.014 -8.677 -8.391 -8.167 -7.997 -7.871 -7.782 -7.725 -7.694 -7.687 -7.702 -7.736 -7.789 -7.857 -7.940 -8.034 -8.254 -8.302 -8.352 -8.404 -8.457 -8.511 -8.567 -8.624 -8.683 -8.744 -8.805 -8.868 -8.933 -8.998 -9.065 -9.133 -9.202 -9.272 -9.343 -9.415 -9.488 -8.534 -8.255 -8.036 -7.869 -7.744 -7.653 -7.592 -7.555 -7.541 -7.545 -7.567 -7.605 -7.657 -7.722 -7.798 -7.978 -8.018 -8.059 -8.102 -8.146 -8.191 -8.237 -8.285 -8.334 -8.385 -8.436 -8.489 -8.543 -8.599 -8.656 -8.714 -8.773 -8.833 -8.895 -8.958 -9.022 -8.409 -8.133 -7.917 -7.751 -7.626 -7.535 -7.470 -7.429 -7.408 -7.405 -7.417 -7.443 -7.482 -7.533 -7.594 -7.741 -7.774 -7.809 -7.844 -7.881 -7.919 -7.958 -7.998 -8.039 -8.081 -8.125 -8.170 -8.216 -8.263 -8.311 -8.360 -8.411 -8.463 -8.516 -8.570 -8.626 -8.299 -8.021 -7.807 -7.642 -7.517 -7.424 -7.358 -7.313 -7.287 -7.277 -7.281 -7.298 -7.327 -7.366 -7.414 -7.534 -7.562 -7.590 -7.620 -7.651 -7.683 -7.716 -7.749 -7.784 -7.820 -7.857 -7.895 -7.934 -7.975 -8.016 -8.058 -8.102 -8.147 -8.192 -8.239 -8.287 -8.199 -7.918 -7.704 -7.540 -7.415 -7.321 -7.253 -7.205 -7.175 -7.160 -7.158 -7.167 -7.187 -7.216 -7.253 -7.351 -7.374 -7.398 -7.423 -7.448 -7.475 -7.503 -7.532 -7.561 -7.592 -7.624 -7.656 -7.690 -7.724 -7.760 -7.797 -7.834 -7.873 -7.913 -7.954 -7.996 -8.110 -7.823 -7.608 -7.444 -7.318 -7.224 -7.154 -7.104 -7.070 -7.051 -7.044 -7.047 -7.059 -7.080 -7.109 -7.187 -7.206 -7.226 -7.246 -7.268 -7.291 -7.314 -7.338 -7.364 -7.390 -7.417 -7.445 -7.474 -7.504 -7.535 -7.567 -7.600 -7.633 -7.668 -7.704 -7.741 99999.999 -7.733 -7.518 -7.354 -7.227 -7.131 -7.060 -7.008 -6.972 -6.949 -6.937 -6.935 -6.941 -6.956 -6.977 -7.039 -7.054 -7.071 -7.088 -7.106 -7.125 -7.144 -7.165 -7.187 -7.209 -7.232 -7.257 -7.282 -7.308 -7.335 -7.363 -7.392 -7.421 -7.452 -7.484 -7.517 wurtzite ZnS P-T:All Wt.(g/mol) = 97.430 V(cc/mol) = 23.846 D(g/cc) = 4.086 Ref: Shock07 3 1.000 15 -2.000 31 1.000 4 142.561 129.176 117.575 107.442 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.561 129.176 117.575 107.442 98.505 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.564 129.179 117.577 107.444 98.507 90.547 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.568 129.183 117.581 107.448 98.510 90.550 83.393 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.576 129.190 117.587 107.454 98.516 90.556 83.400 76.906 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.588 129.201 117.598 107.464 98.526 90.566 83.410 76.917 70.972 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.607 129.218 117.613 107.479 98.541 90.581 83.425 76.933 70.989 65.493 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.633 129.242 117.636 107.501 98.562 90.602 83.446 76.955 71.013 65.520 60.378 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.669 129.275 117.667 107.530 98.591 90.631 83.476 76.986 71.047 65.558 60.423 55.542 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.717 129.319 117.708 107.570 98.630 90.669 83.515 77.027 71.091 65.608 60.482 55.618 50.900 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.780 129.376 117.762 107.622 98.680 90.720 83.566 77.081 71.149 65.672 60.558 55.716 51.037 46.351 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.861 129.450 117.832 107.688 98.745 90.784 83.631 77.149 71.221 65.753 60.654 55.836 51.203 46.610 41.650 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 142.923 129.507 117.885 107.739 98.795 90.833 83.682 77.201 71.277 65.814 60.726 55.926 51.325 46.793 42.002 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.012 129.588 117.961 107.812 98.865 90.903 83.753 77.275 71.356 65.901 60.826 56.050 51.490 47.034 42.422 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.100 129.669 118.037 107.884 98.935 90.973 83.823 77.347 71.433 65.986 60.923 56.169 51.645 47.254 42.783 34.153 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.188 129.749 118.111 107.955 99.005 91.042 83.893 77.419 71.509 66.068 61.017 56.282 51.791 47.457 43.103 35.509 33.460 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.275 129.828 118.186 108.026 99.074 91.110 83.961 77.490 71.583 66.149 61.109 56.391 51.928 47.644 43.390 35.995 34.310 32.444 30.193 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.361 129.906 118.259 108.096 99.142 91.177 84.029 77.559 71.656 66.228 61.197 56.495 52.059 47.817 43.648 36.336 34.767 33.136 31.382 29.414 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.446 129.984 118.332 108.166 99.209 91.243 84.096 77.628 71.728 66.306 61.283 56.596 52.182 47.978 43.882 36.612 35.105 33.572 31.989 30.320 28.517 26.534 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.531 130.062 118.405 108.235 99.276 91.309 84.162 77.695 71.799 66.382 61.367 56.692 52.298 48.128 44.093 36.850 35.383 33.907 32.409 30.872 29.273 27.586 25.788 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.615 130.138 118.476 108.303 99.342 91.375 84.227 77.762 71.869 66.456 61.449 56.786 52.409 48.267 44.285 37.062 35.624 34.186 32.740 31.277 29.784 28.247 26.650 24.984 23.247 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.698 130.214 118.548 108.371 99.408 91.439 84.292 77.828 71.937 66.529 61.529 56.876 52.515 48.397 44.458 37.254 35.839 34.429 33.020 31.604 30.176 28.725 27.244 25.723 24.159 22.553 20.914 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.781 130.290 118.618 108.438 99.473 91.503 84.356 77.894 72.005 66.601 61.607 56.963 52.615 48.518 44.616 37.431 36.034 34.646 33.264 31.883 30.499 29.105 27.695 26.265 24.811 23.330 21.827 20.307 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.863 130.365 118.689 108.505 99.538 91.567 84.419 77.958 72.072 66.671 61.683 57.047 52.712 48.631 44.758 37.596 36.213 34.844 33.483 32.129 30.777 29.423 28.063 26.693 25.312 23.916 22.507 21.088 19.665 18.246 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 143.945 130.440 118.758 108.572 99.602 91.630 84.482 78.022 72.138 66.741 61.758 57.129 52.804 48.738 44.888 37.750 36.381 35.026 33.684 32.350 31.023 29.699 28.375 27.050 25.719 24.383 23.040 21.694 20.346 19.003 17.670 99999.999 99999.999 99999.999 99999.999 99999.999 144.026 130.514 118.828 108.637 99.665 91.692 84.544 78.085 72.203 66.809 61.831 57.209 52.892 48.839 45.008 37.896 36.538 35.196 33.868 32.552 31.245 29.945 28.650 27.357 26.064 24.771 23.478 22.185 20.894 19.608 18.333 17.073 15.834 99999.999 99999.999 99999.999 144.107 130.587 118.896 108.703 99.728 91.754 84.606 78.147 72.267 66.877 61.903 57.286 52.977 48.934 45.118 38.035 36.686 35.356 34.040 32.739 31.449 30.168 28.895 27.628 26.365 25.106 23.850 22.597 21.349 20.108 18.877 17.661 16.462 15.287 99999.999 99999.999 144.187 130.661 118.965 108.768 99.791 91.815 84.667 78.209 72.331 66.943 61.973 57.362 53.060 49.026 45.221 38.167 36.827 35.506 34.202 32.913 31.638 30.373 29.119 27.872 26.633 25.400 24.173 22.952 21.738 20.532 19.337 18.156 16.991 15.846 14.726 13.633 144.266 130.733 119.033 108.832 99.853 91.876 84.727 78.270 72.393 67.008 62.042 57.436 53.141 49.114 45.320 38.294 36.961 35.649 34.355 33.077 31.814 30.563 29.324 28.096 26.876 25.665 24.461 23.266 22.079 20.901 19.735 18.582 17.444 16.325 15.228 14.155 145.035 131.436 119.689 109.455 100.452 92.460 85.305 78.850 72.984 67.620 62.683 58.115 53.868 49.900 46.177 39.345 38.063 36.806 35.571 34.359 33.167 31.995 30.841 29.705 28.586 27.482 26.394 25.320 24.261 23.215 22.184 21.166 20.161 19.170 18.193 17.230 145.764 132.103 120.311 110.044 101.016 93.007 85.843 79.385 73.524 68.171 63.252 58.709 54.493 50.562 46.883 40.163 38.908 37.679 36.475 35.295 34.138 33.002 31.887 30.792 29.715 28.657 27.616 26.591 25.582 24.588 23.609 22.645 21.694 20.757 19.833 18.922 146.461 132.741 120.906 110.605 101.553 93.526 86.350 79.886 74.025 68.677 63.770 59.243 55.048 51.143 47.494 40.848 39.610 38.400 37.215 36.056 34.920 33.806 32.714 31.643 30.592 29.560 28.546 27.549 26.569 25.606 24.657 23.724 22.805 21.900 21.008 20.129 147.133 133.356 121.478 111.145 102.068 94.022 86.833 80.361 74.497 69.150 64.249 59.733 55.553 51.666 48.038 41.445 40.220 39.022 37.851 36.705 35.584 34.485 33.409 32.355 31.320 30.306 29.310 28.332 27.371 26.427 25.499 24.587 23.689 22.805 21.935 21.078 147.784 133.951 122.031 111.666 102.564 94.499 87.296 80.814 74.945 69.597 64.699 60.189 56.019 52.145 48.533 41.979 40.763 39.574 38.413 37.277 36.166 35.079 34.014 32.971 31.949 30.947 29.964 29.000 28.053 27.123 26.209 25.311 24.428 23.560 22.705 21.864 148.419 134.530 122.569 112.171 103.045 94.961 87.742 81.250 75.373 70.022 65.124 60.618 56.454 52.589 48.989 42.465 41.255 40.073 38.919 37.791 36.688 35.609 34.553 33.519 32.506 31.513 30.540 29.585 28.648 27.729 26.826 25.938 25.066 24.209 23.366 22.537 149.040 135.096 123.093 112.663 103.512 95.408 88.174 81.670 75.786 70.430 65.530 61.025 56.865 53.006 49.414 42.912 41.707 40.531 39.383 38.261 37.164 36.091 35.041 34.014 33.008 32.022 31.056 30.109 29.179 28.268 27.373 26.494 25.630 24.781 23.947 23.126 99999.999 135.652 123.605 113.144 103.967 95.844 88.594 82.078 76.185 70.823 65.920 61.414 57.255 53.400 49.814 43.328 42.128 40.956 39.812 38.694 37.602 36.534 35.489 34.467 33.466 32.486 31.525 30.584 29.661 28.755 27.866 26.993 26.136 25.294 24.466 23.652 zincite ZnO P-T:All Wt.(g/mol) = 81.389 V(cc/mol) = 14.338 D(g/cc) = 5.676 Ref: Shock07 3 -2.000 1 1.000 15 1.000 2 12.632 11.209 10.008 8.987 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.632 11.209 10.008 8.987 8.108 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.633 11.209 10.009 8.987 8.108 7.343 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.634 11.210 10.009 8.988 8.109 7.343 6.668 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.635 11.212 10.011 8.989 8.110 7.345 6.669 6.065 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.638 11.214 10.013 8.991 8.112 7.347 6.671 6.068 5.521 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.642 11.218 10.016 8.995 8.116 7.350 6.674 6.071 5.525 5.023 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.648 11.223 10.021 8.999 8.120 7.354 6.679 6.076 5.530 5.028 4.558 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.656 11.230 10.028 9.005 8.126 7.360 6.685 6.082 5.537 5.036 4.567 4.117 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.667 11.240 10.036 9.014 8.134 7.368 6.693 6.090 5.546 5.046 4.579 4.132 3.697 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.681 11.252 10.048 9.024 8.144 7.378 6.704 6.101 5.557 5.059 4.594 4.151 3.720 3.311 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.699 11.268 10.062 9.038 8.157 7.391 6.717 6.115 5.572 5.076 4.613 4.175 3.750 3.338 2.998 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.712 11.279 10.073 9.048 8.168 7.401 6.727 6.126 5.584 5.088 4.628 4.193 3.773 3.364 2.961 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.731 11.296 10.089 9.063 8.182 7.416 6.741 6.141 5.600 5.106 4.649 4.218 3.806 3.403 2.980 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.750 11.313 10.104 9.078 8.196 7.430 6.756 6.156 5.615 5.123 4.668 4.242 3.837 3.444 3.025 5.073 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.768 11.329 10.119 9.092 8.210 7.443 6.769 6.170 5.630 5.140 4.687 4.266 3.867 3.483 3.079 3.627 4.223 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.786 11.345 10.134 9.106 8.223 7.457 6.783 6.184 5.645 5.156 4.706 4.288 3.896 3.521 3.133 3.281 3.476 3.842 4.371 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.804 11.361 10.149 9.120 8.237 7.470 6.796 6.198 5.660 5.172 4.724 4.309 3.922 3.557 3.186 3.132 3.200 3.347 3.595 3.934 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.821 11.377 10.163 9.133 8.250 7.483 6.809 6.211 5.674 5.187 4.741 4.330 3.948 3.590 3.235 3.054 3.064 3.118 3.229 3.406 3.639 3.894 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.838 11.392 10.177 9.147 8.263 7.496 6.822 6.225 5.688 5.202 4.758 4.349 3.972 3.620 3.280 3.010 2.988 2.994 3.036 3.121 3.250 3.417 3.602 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.855 11.407 10.191 9.160 8.275 7.508 6.835 6.238 5.702 5.217 4.774 4.368 3.994 3.648 3.321 2.984 2.942 2.921 2.924 2.956 3.019 3.115 3.238 3.375 3.513 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.872 11.422 10.205 9.173 8.288 7.521 6.847 6.250 5.715 5.231 4.790 4.386 4.015 3.674 3.356 2.970 2.916 2.876 2.855 2.854 2.876 2.923 2.995 3.086 3.190 3.298 3.402 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.888 11.436 10.218 9.186 8.300 7.533 6.860 6.263 5.728 5.245 4.805 4.403 4.034 3.697 3.387 2.964 2.900 2.849 2.811 2.788 2.784 2.798 2.832 2.885 2.954 3.034 3.119 3.205 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.904 11.451 10.232 9.198 8.313 7.545 6.872 6.275 5.741 5.259 4.820 4.419 4.053 3.719 3.414 2.963 2.893 2.832 2.783 2.746 2.722 2.714 2.722 2.745 2.784 2.836 2.898 2.966 3.038 3.111 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.919 11.465 10.245 9.211 8.325 7.557 6.883 6.287 5.754 5.272 4.835 4.435 4.070 3.738 3.437 2.966 2.890 2.823 2.766 2.718 2.681 2.657 2.645 2.647 2.663 2.690 2.729 2.777 2.832 2.893 2.956 99999.999 99999.999 99999.999 99999.999 99999.999 12.934 11.479 10.258 9.223 8.336 7.568 6.895 6.299 5.766 5.286 4.849 4.450 4.086 3.756 3.456 2.971 2.892 2.820 2.756 2.701 2.654 2.618 2.592 2.578 2.575 2.583 2.603 2.632 2.669 2.714 2.764 2.820 2.880 99999.999 99999.999 99999.999 12.950 11.492 10.270 9.235 8.348 7.580 6.907 6.311 5.779 5.298 4.862 4.465 4.102 3.772 3.474 2.979 2.897 2.821 2.752 2.690 2.637 2.592 2.555 2.529 2.512 2.505 2.508 2.520 2.541 2.570 2.606 2.649 2.697 2.751 99999.999 99999.999 12.964 11.506 10.283 9.247 8.360 7.591 6.918 6.323 5.791 5.311 4.876 4.479 4.117 3.787 3.489 2.987 2.903 2.824 2.752 2.686 2.626 2.574 2.530 2.494 2.466 2.447 2.437 2.435 2.442 2.457 2.479 2.508 2.544 2.586 2.634 2.688 12.979 11.519 10.295 9.259 8.371 7.602 6.929 6.334 5.803 5.324 4.889 4.493 4.131 3.802 3.504 2.997 2.911 2.830 2.755 2.685 2.621 2.564 2.513 2.469 2.433 2.404 2.384 2.371 2.365 2.368 2.377 2.394 2.418 2.447 2.484 2.526 13.113 11.643 10.412 9.369 8.477 7.706 7.033 6.439 5.911 5.437 5.009 4.619 4.263 3.938 3.641 3.121 3.028 2.938 2.852 2.768 2.688 2.611 2.537 2.466 2.398 2.333 2.271 2.213 2.157 2.104 2.054 2.008 1.965 1.925 1.888 1.855 13.228 11.752 10.515 9.468 8.573 7.799 7.125 6.532 6.006 5.535 5.111 4.727 4.377 4.057 3.764 3.247 3.154 3.064 2.976 2.891 2.809 2.729 2.652 2.577 2.504 2.434 2.365 2.298 2.233 2.170 2.109 2.050 1.992 1.936 1.882 1.829 13.330 11.851 10.609 9.558 8.659 7.884 7.209 6.615 6.090 5.622 5.202 4.821 4.476 4.160 3.872 3.363 3.270 3.181 3.094 3.010 2.929 2.850 2.772 2.698 2.625 2.553 2.484 2.417 2.351 2.286 2.223 2.161 2.101 2.042 1.984 1.927 13.419 11.940 10.695 9.641 8.739 7.962 7.285 6.692 6.167 5.700 5.282 4.905 4.563 4.252 3.967 3.466 3.375 3.287 3.202 3.119 3.039 2.961 2.885 2.811 2.739 2.669 2.601 2.534 2.469 2.405 2.343 2.281 2.221 2.162 2.105 2.048 13.500 12.022 10.775 9.717 8.814 8.034 7.356 6.762 6.238 5.772 5.355 4.981 4.642 4.334 4.053 3.559 3.470 3.383 3.299 3.218 3.139 3.062 2.987 2.915 2.844 2.776 2.708 2.643 2.579 2.517 2.455 2.395 2.337 2.279 2.222 2.167 13.573 12.098 10.849 9.789 8.883 8.102 7.423 6.828 6.303 5.838 5.423 5.050 4.713 4.408 4.130 3.643 3.555 3.469 3.387 3.307 3.229 3.154 3.080 3.009 2.940 2.872 2.807 2.742 2.680 2.619 2.559 2.500 2.443 2.387 2.331 2.277 13.640 12.170 10.919 9.857 8.949 8.166 7.485 6.890 6.365 5.900 5.485 5.114 4.779 4.476 4.201 3.719 3.632 3.548 3.466 3.387 3.311 3.237 3.165 3.095 3.027 2.960 2.896 2.833 2.772 2.712 2.653 2.596 2.540 2.485 2.431 2.378 99999.999 12.237 10.986 9.922 9.012 8.227 7.545 6.948 6.423 5.958 5.544 5.173 4.840 4.539 4.266 3.788 3.703 3.619 3.539 3.461 3.386 3.313 3.242 3.173 3.106 3.040 2.977 2.915 2.855 2.796 2.739 2.683 2.628 2.574 2.521 2.470 borax Na2(B4O5(OH)4)*8H2O P-T:All Wt.(g/mol) = 381.373 V(cc/mol) = 222.700 D(g/cc) = 1.712 Ref: LSR08 4 -2.000 1 4.000 33 2.000 13 5.000 2 10.879 12.036 13.237 14.467 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.879 12.036 13.237 14.467 15.711 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.879 12.036 13.236 14.466 15.711 16.957 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.879 12.035 13.235 14.465 15.709 16.956 18.198 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.879 12.033 13.233 14.463 15.707 16.953 18.195 19.427 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.878 12.030 13.230 14.459 15.703 16.950 18.191 19.423 20.643 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.877 12.027 13.225 14.454 15.697 16.944 18.185 19.417 20.636 21.844 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.875 12.021 13.218 14.446 15.689 16.935 18.176 19.408 20.627 21.834 23.031 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.873 12.013 13.208 14.435 15.678 16.924 18.165 19.396 20.615 21.821 23.016 24.209 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.870 12.003 13.195 14.421 15.663 16.908 18.149 19.380 20.598 21.803 22.997 24.186 25.389 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.865 11.990 13.179 14.403 15.644 16.889 18.129 19.359 20.576 21.780 22.973 24.158 25.352 26.603 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.860 11.974 13.158 14.380 15.620 16.863 18.103 19.332 20.548 21.751 22.941 24.124 25.309 26.529 27.947 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.856 11.961 13.141 14.362 15.601 16.844 18.083 19.312 20.527 21.729 22.918 24.098 25.278 26.482 27.794 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.850 11.942 13.119 14.337 15.574 16.817 18.055 19.283 20.498 21.698 22.885 24.061 25.235 26.423 27.665 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.844 11.925 13.096 14.312 15.548 16.790 18.028 19.255 20.469 21.668 22.853 24.026 25.195 26.372 27.578 32.437 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.838 11.907 13.074 14.288 15.523 16.764 18.001 19.227 20.440 21.638 22.821 23.993 25.157 26.326 27.510 30.853 32.071 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.832 11.890 13.052 14.264 15.498 16.738 17.974 19.200 20.412 21.609 22.791 23.960 25.121 26.283 27.453 30.389 31.181 32.161 33.359 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.826 11.872 13.031 14.240 15.473 16.713 17.948 19.173 20.385 21.580 22.761 23.928 25.086 26.243 27.403 30.132 30.784 31.521 32.375 33.352 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.820 11.856 13.010 14.217 15.449 16.688 17.923 19.147 20.358 21.552 22.731 23.897 25.052 26.204 27.358 29.957 30.540 31.171 31.866 32.638 33.488 34.392 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.814 11.839 12.989 14.195 15.425 16.663 17.898 19.122 20.331 21.525 22.703 23.866 25.019 26.167 27.315 29.822 30.366 30.940 31.552 32.212 32.926 33.691 34.496 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.808 11.823 12.969 14.172 15.402 16.639 17.873 19.096 20.305 21.498 22.675 23.836 24.987 26.132 27.275 29.713 30.231 30.768 31.331 31.926 32.557 33.226 33.932 34.665 35.412 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.802 11.807 12.949 14.151 15.379 16.616 17.849 19.072 20.280 21.472 22.647 23.807 24.956 26.097 27.236 29.621 30.120 30.633 31.164 31.716 32.294 32.899 33.534 34.194 34.874 35.565 36.256 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.796 11.791 12.929 14.129 15.357 16.592 17.825 19.047 20.255 21.446 22.620 23.779 24.925 26.063 27.197 29.540 30.025 30.521 31.029 31.552 32.094 32.656 33.240 33.845 34.469 35.108 35.755 36.403 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.790 11.775 12.910 14.108 15.334 16.570 17.802 19.023 20.230 21.421 22.594 23.751 24.895 26.029 27.160 29.469 29.943 30.425 30.916 31.418 31.934 32.465 33.012 33.576 34.157 34.751 35.357 35.968 36.582 37.192 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.785 11.760 12.891 14.087 15.313 16.547 17.779 19.000 20.206 21.396 22.568 23.723 24.865 25.997 27.123 29.404 29.870 30.341 30.819 31.306 31.802 32.310 32.830 33.364 33.910 34.469 35.039 35.616 36.199 36.782 37.364 99999.999 99999.999 99999.999 99999.999 99999.999 10.779 11.745 12.872 14.067 15.291 16.525 17.756 18.977 20.183 21.371 22.542 23.696 24.836 25.965 27.087 29.345 29.803 30.266 30.734 31.208 31.689 32.180 32.679 33.189 33.710 34.240 34.781 35.329 35.883 36.440 36.998 37.555 38.108 99999.999 99999.999 99999.999 10.773 11.730 12.853 14.047 15.270 16.503 17.734 18.954 20.159 21.347 22.517 23.670 24.808 25.933 27.051 29.290 29.743 30.198 30.657 31.122 31.591 32.068 32.551 33.043 33.543 34.051 34.567 35.090 35.620 36.153 36.689 37.226 37.761 38.293 99999.999 99999.999 10.767 11.715 12.835 14.027 15.249 16.482 17.712 18.932 20.136 21.324 22.493 23.644 24.780 25.903 27.016 29.239 29.686 30.136 30.588 31.044 31.505 31.970 32.440 32.917 33.401 33.891 34.387 34.890 35.398 35.911 36.426 36.944 37.461 37.977 38.490 38.999 10.761 11.701 12.817 14.007 15.229 16.461 17.690 18.910 20.114 21.300 22.468 23.619 24.752 25.873 26.983 29.191 29.634 30.079 30.525 30.974 31.427 31.883 32.343 32.808 33.278 33.753 34.233 34.719 35.210 35.704 36.201 36.701 37.201 37.701 38.200 38.696 10.704 11.567 12.654 13.829 15.042 16.268 17.493 18.708 19.907 21.088 22.249 23.389 24.509 25.611 26.695 28.820 29.239 29.656 30.072 30.487 30.900 31.312 31.723 32.133 32.542 32.951 33.359 33.766 34.173 34.580 34.986 35.391 35.796 36.200 36.604 37.006 10.650 11.452 12.513 13.676 14.882 16.103 17.324 18.535 19.730 20.907 22.062 23.196 24.307 25.398 26.468 28.553 28.962 29.368 29.772 30.173 30.571 30.968 31.362 31.754 32.144 32.531 32.917 33.300 33.682 34.061 34.439 34.814 35.188 35.559 35.929 36.296 10.600 11.351 12.392 13.545 14.744 15.961 17.178 18.385 19.577 20.749 21.901 23.029 24.135 25.218 26.279 28.340 28.743 29.143 29.540 29.934 30.325 30.713 31.099 31.482 31.862 32.239 32.614 32.986 33.356 33.723 34.088 34.450 34.810 35.167 35.522 35.874 10.552 11.264 12.289 13.432 14.625 15.837 17.051 18.255 19.443 20.612 21.760 22.884 23.985 25.063 26.118 28.163 28.561 28.957 29.350 29.739 30.125 30.509 30.889 31.266 31.641 32.012 32.381 32.747 33.110 33.470 33.828 34.183 34.535 34.884 35.231 35.575 10.508 11.189 12.200 13.335 14.523 15.731 16.941 18.141 19.327 20.492 21.636 22.757 23.854 24.928 25.978 28.010 28.406 28.799 29.188 29.575 29.958 30.337 30.714 31.088 31.458 31.826 32.190 32.552 32.911 33.267 33.620 33.970 34.317 34.662 35.004 35.343 10.467 11.125 12.123 13.252 14.435 15.639 16.845 18.042 19.225 20.387 21.528 22.646 23.739 24.809 25.855 27.877 28.271 28.662 29.049 29.433 29.813 30.190 30.564 30.935 31.303 31.668 32.029 32.388 32.744 33.097 33.446 33.793 34.138 34.479 34.817 35.153 10.429 11.070 12.059 13.181 14.360 15.560 16.762 17.957 19.136 20.295 21.433 22.547 23.638 24.704 25.746 27.761 28.153 28.542 28.927 29.309 29.687 30.062 30.434 30.803 31.169 31.531 31.891 32.247 32.600 32.951 33.298 33.643 33.984 34.323 34.659 34.993 99999.999 11.024 12.005 13.121 14.296 15.492 16.691 17.882 19.058 20.215 21.349 22.461 23.548 24.611 25.650 27.658 28.048 28.435 28.819 29.199 29.576 29.950 30.320 30.687 31.051 31.412 31.769 32.124 32.475 32.824 33.169 33.512 33.852 34.189 34.523 34.854 tincalconite Na2(B4O5(OH)4)*2.667H2O P-T:All Wt.(g/mol) = 285.297 V(cc/mol) = 227.930 D(g/cc) = 1.252 Ref: LSR08 4 -2.000 1 4.000 33 2.000 13 -0.333 2 12.773 13.201 13.648 14.114 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.773 13.201 13.648 14.114 14.593 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.775 13.203 13.650 14.115 14.594 15.082 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.780 13.207 13.652 14.118 14.597 15.084 15.576 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.787 13.212 13.657 14.122 14.600 15.087 15.579 16.072 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.800 13.222 13.665 14.128 14.606 15.093 15.584 16.076 16.569 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.818 13.235 13.676 14.139 14.615 15.101 15.591 16.083 16.575 17.068 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.844 13.255 13.693 14.153 14.628 15.113 15.602 16.093 16.584 17.076 17.570 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.879 13.283 13.716 14.173 14.646 15.129 15.617 16.107 16.597 17.088 17.580 18.079 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.927 13.319 13.747 14.200 14.670 15.151 15.637 16.125 16.614 17.103 17.594 18.090 18.608 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.990 13.368 13.787 14.235 14.702 15.179 15.663 16.149 16.636 17.124 17.612 18.105 18.615 19.188 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.071 13.430 13.840 14.281 14.743 15.217 15.697 16.181 16.666 17.150 17.636 18.126 18.628 19.173 19.913 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.133 13.479 13.881 14.317 14.775 15.246 15.724 16.206 16.689 17.172 17.655 18.142 18.640 19.170 19.810 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.223 13.549 13.940 14.369 14.822 15.289 15.764 16.242 16.722 17.202 17.683 18.167 18.659 19.175 19.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.313 13.619 13.999 14.421 14.869 15.332 15.803 16.279 16.756 17.234 17.712 18.193 18.680 19.186 19.727 23.236 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.402 13.689 14.059 14.474 14.916 15.375 15.843 16.315 16.790 17.265 17.741 18.219 18.703 19.201 19.723 21.743 22.687 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.492 13.759 14.119 14.527 14.964 15.418 15.883 16.353 16.825 17.297 17.771 18.246 18.727 19.219 19.729 21.354 21.882 22.594 23.519 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.581 13.830 14.179 14.580 15.011 15.462 15.923 16.390 16.860 17.330 17.801 18.273 18.751 19.239 19.740 21.169 21.560 22.036 22.626 23.336 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.670 13.900 14.239 14.633 15.060 15.506 15.964 16.428 16.895 17.363 17.831 18.301 18.776 19.260 19.756 21.061 21.387 21.761 22.197 22.709 23.297 23.938 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.758 13.971 14.299 14.687 15.108 15.550 16.005 16.466 16.930 17.396 17.862 18.330 18.802 19.282 19.773 20.992 21.281 21.599 21.956 22.361 22.819 23.327 23.873 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.847 14.041 14.360 14.740 15.157 15.595 16.046 16.504 16.966 17.429 17.893 18.358 18.828 19.304 19.792 20.947 21.211 21.495 21.806 22.148 22.526 22.943 23.396 23.875 24.367 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.935 14.112 14.421 14.795 15.206 15.640 16.088 16.543 17.002 17.463 17.924 18.387 18.854 19.327 19.811 20.917 21.163 21.425 21.705 22.008 22.336 22.692 23.076 23.487 23.918 24.359 24.801 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.023 14.183 14.482 14.849 15.255 15.685 16.129 16.582 17.039 17.497 17.956 18.417 18.881 19.351 19.831 20.897 21.131 21.376 21.635 21.910 22.205 22.519 22.857 23.215 23.594 23.987 24.389 24.793 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.111 14.254 14.543 14.903 15.304 15.731 16.172 16.621 17.075 17.531 17.988 18.446 18.908 19.374 19.851 20.885 21.109 21.342 21.586 21.841 22.111 22.397 22.700 23.020 23.358 23.710 24.073 24.444 24.816 25.187 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 14.199 14.325 14.604 14.958 15.354 15.776 16.214 16.661 17.112 17.566 18.020 18.476 18.935 19.398 19.871 20.880 21.096 21.319 21.550 21.791 22.043 22.308 22.586 22.877 23.183 23.502 23.833 24.172 24.517 24.864 25.210 99999.999 99999.999 99999.999 99999.999 99999.999 14.286 14.396 14.666 15.013 15.404 15.822 16.256 16.700 17.149 17.601 18.053 18.506 18.962 19.423 19.891 20.879 21.088 21.303 21.525 21.755 21.994 22.242 22.500 22.770 23.052 23.345 23.648 23.960 24.279 24.602 24.928 25.253 25.576 99999.999 99999.999 99999.999 14.374 14.467 14.728 15.068 15.454 15.868 16.299 16.740 17.187 17.636 18.086 18.537 18.990 19.447 19.911 20.881 21.085 21.294 21.509 21.729 21.957 22.192 22.436 22.689 22.951 23.223 23.504 23.794 24.090 24.392 24.697 25.004 25.311 25.617 99999.999 99999.999 14.461 14.538 14.790 15.124 15.505 15.915 16.342 16.780 17.224 17.671 18.119 18.568 19.018 19.472 19.932 20.887 21.087 21.290 21.498 21.711 21.930 22.155 22.387 22.627 22.874 23.129 23.392 23.663 23.940 24.222 24.509 24.799 25.090 25.381 25.671 25.959 14.548 14.609 14.852 15.179 15.555 15.961 16.386 16.821 17.262 17.706 18.152 18.598 19.046 19.497 19.953 20.895 21.091 21.290 21.492 21.699 21.911 22.128 22.350 22.579 22.814 23.055 23.304 23.559 23.819 24.085 24.356 24.630 24.906 25.183 25.460 25.736 15.412 15.326 15.480 15.744 16.072 16.438 16.829 17.236 17.652 18.073 18.497 18.922 19.348 19.774 20.201 21.060 21.233 21.407 21.581 21.756 21.932 22.109 22.287 22.466 22.647 22.828 23.011 23.195 23.380 23.566 23.754 23.943 24.133 24.324 24.516 24.709 16.264 16.047 16.119 16.324 16.604 16.931 17.289 17.667 18.058 18.456 18.860 19.265 19.672 20.078 20.484 21.296 21.458 21.620 21.782 21.944 22.106 22.268 22.430 22.592 22.754 22.916 23.078 23.241 23.403 23.565 23.727 23.889 24.051 24.213 24.375 24.537 17.108 16.772 16.768 16.915 17.149 17.437 17.762 18.111 18.477 18.853 19.236 19.622 20.011 20.400 20.788 21.564 21.718 21.872 22.026 22.180 22.333 22.486 22.639 22.792 22.944 23.096 23.248 23.399 23.550 23.700 23.851 24.000 24.149 24.298 24.446 24.594 17.943 17.501 17.424 17.515 17.703 17.954 18.246 18.566 18.906 19.260 19.622 19.990 20.361 20.733 21.106 21.850 21.998 22.146 22.293 22.441 22.588 22.734 22.880 23.026 23.172 23.317 23.461 23.605 23.749 23.892 24.035 24.177 24.318 24.459 24.600 24.739 18.773 18.232 18.086 18.123 18.267 18.479 18.738 19.030 19.344 19.675 20.016 20.365 20.719 21.075 21.433 22.148 22.290 22.433 22.575 22.716 22.858 22.999 23.140 23.280 23.420 23.560 23.699 23.837 23.975 24.113 24.250 24.386 24.522 24.658 24.793 24.927 19.597 18.965 18.753 18.737 18.837 19.011 19.238 19.500 19.789 20.097 20.418 20.748 21.084 21.425 21.767 22.454 22.592 22.729 22.866 23.002 23.139 23.275 23.411 23.546 23.682 23.816 23.951 24.085 24.218 24.351 24.483 24.615 24.747 24.878 25.008 25.138 20.417 19.700 19.425 19.357 19.413 19.550 19.744 19.977 20.241 20.525 20.825 21.136 21.455 21.780 22.108 22.768 22.900 23.032 23.164 23.296 23.428 23.559 23.690 23.821 23.952 24.083 24.213 24.342 24.471 24.600 24.729 24.856 24.984 25.111 25.237 25.363 99999.999 20.437 20.100 19.982 19.994 20.094 20.255 20.460 20.697 20.958 21.237 21.530 21.831 22.140 22.453 23.086 23.213 23.341 23.468 23.595 23.722 23.849 23.976 24.103 24.229 24.356 24.482 24.607 24.732 24.857 24.982 25.106 25.230 25.353 25.476 25.598 kernite Na2B4O6(OH)2*3H2O P-T:All Wt.(g/mol) = 273.281 V(cc/mol) = 149.540 D(g/cc) = 1.827 Ref: LSR08 4 -2.000 1 4.000 33 2.000 13 -1.000 2 12.866 13.198 13.541 13.899 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.866 13.198 13.541 13.899 14.269 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.866 13.198 13.541 13.899 14.269 14.646 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.868 13.199 13.542 13.899 14.269 14.646 15.028 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.870 13.200 13.542 13.899 14.269 14.646 15.028 15.411 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.874 13.201 13.542 13.900 14.269 14.646 15.027 15.411 15.796 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.879 13.203 13.543 13.900 14.268 14.645 15.027 15.410 15.795 16.182 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.887 13.207 13.545 13.900 14.268 14.645 15.026 15.409 15.794 16.181 16.570 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.898 13.211 13.546 13.900 14.268 14.644 15.025 15.408 15.793 16.179 16.568 16.964 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.912 13.217 13.549 13.901 14.268 14.643 15.023 15.407 15.791 16.177 16.565 16.959 17.377 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.931 13.225 13.552 13.902 14.267 14.642 15.022 15.405 15.789 16.174 16.561 16.954 17.365 17.838 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.955 13.236 13.557 13.904 14.267 14.641 15.020 15.402 15.786 16.171 16.557 16.948 17.352 17.800 18.443 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 12.973 13.244 13.561 13.905 14.267 14.640 15.019 15.401 15.784 16.168 16.554 16.943 17.345 17.779 18.322 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.000 13.255 13.566 13.908 14.268 14.640 15.018 15.399 15.782 16.165 16.550 16.938 17.336 17.757 18.237 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.026 13.267 13.572 13.910 14.269 14.639 15.017 15.398 15.780 16.163 16.547 16.934 17.328 17.741 18.190 21.510 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.052 13.279 13.578 13.913 14.270 14.639 15.016 15.397 15.778 16.161 16.544 16.930 17.322 17.729 18.161 19.997 20.904 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.077 13.291 13.584 13.916 14.271 14.640 15.016 15.396 15.777 16.159 16.542 16.927 17.317 17.720 18.141 19.588 20.079 20.755 21.643 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.102 13.303 13.590 13.919 14.273 14.640 15.016 15.395 15.776 16.158 16.540 16.924 17.313 17.713 18.128 19.381 19.737 20.177 20.731 21.405 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.128 13.315 13.597 13.923 14.274 14.641 15.016 15.395 15.776 16.157 16.538 16.922 17.310 17.707 18.117 19.251 19.542 19.881 20.283 20.760 21.312 21.918 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.152 13.328 13.603 13.927 14.277 14.642 15.016 15.395 15.775 16.156 16.537 16.920 17.307 17.702 18.109 19.160 19.414 19.699 20.022 20.393 20.816 21.290 21.801 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.177 13.340 13.610 13.931 14.279 14.643 15.017 15.395 15.775 16.155 16.536 16.918 17.304 17.697 18.102 19.091 19.322 19.574 19.851 20.160 20.505 20.888 21.307 21.752 22.211 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.202 13.352 13.617 13.935 14.282 14.645 15.018 15.396 15.775 16.155 16.535 16.917 17.301 17.693 18.095 19.038 19.252 19.482 19.729 19.999 20.294 20.618 20.970 21.348 21.745 22.153 22.562 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.226 13.365 13.625 13.940 14.285 14.647 15.019 15.396 15.776 16.155 16.535 16.916 17.299 17.689 18.089 18.996 19.198 19.411 19.638 19.881 20.143 20.426 20.731 21.058 21.404 21.765 22.134 22.506 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.250 13.377 13.632 13.944 14.288 14.649 15.021 15.397 15.776 16.156 16.535 16.915 17.297 17.686 18.083 18.961 19.153 19.355 19.567 19.791 20.030 20.284 20.556 20.845 21.151 21.471 21.803 22.142 22.483 22.822 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.274 13.390 13.640 13.949 14.291 14.651 15.022 15.399 15.777 16.156 16.535 16.914 17.296 17.682 18.077 18.932 19.117 19.309 19.510 19.720 19.942 20.175 20.422 20.683 20.958 21.246 21.546 21.854 22.168 22.484 22.800 99999.999 99999.999 99999.999 99999.999 99999.999 13.298 13.402 13.647 13.954 14.295 14.654 15.024 15.400 15.778 16.157 16.535 16.914 17.294 17.679 18.071 18.907 19.087 19.272 19.463 19.663 19.871 20.089 20.317 20.557 20.808 21.071 21.344 21.625 21.914 22.207 22.503 22.798 23.091 99999.999 99999.999 99999.999 13.321 13.415 13.655 13.959 14.298 14.657 15.026 15.402 15.780 16.158 16.536 16.914 17.293 17.676 18.066 18.887 19.061 19.240 19.425 19.615 19.813 20.019 20.233 20.456 20.689 20.931 21.183 21.442 21.709 21.981 22.257 22.535 22.812 23.088 99999.999 99999.999 13.344 13.428 13.663 13.965 14.302 14.660 15.029 15.404 15.781 16.159 16.536 16.914 17.292 17.673 18.060 18.869 19.039 19.213 19.392 19.576 19.765 19.961 20.164 20.375 20.593 20.819 21.053 21.294 21.542 21.795 22.053 22.314 22.576 22.839 23.100 23.359 13.368 13.441 13.671 13.971 14.306 14.663 15.031 15.406 15.783 16.160 16.537 16.914 17.291 17.671 18.055 18.853 19.020 19.190 19.364 19.542 19.725 19.913 20.107 20.307 20.513 20.726 20.946 21.172 21.404 21.642 21.884 22.129 22.377 22.626 22.875 23.123 13.591 13.571 13.759 14.036 14.357 14.705 15.067 15.437 15.811 16.185 16.559 16.930 17.301 17.670 18.038 18.778 18.927 19.077 19.227 19.378 19.530 19.683 19.836 19.991 20.147 20.304 20.462 20.622 20.782 20.945 21.108 21.273 21.439 21.606 21.774 21.942 13.801 13.704 13.858 14.114 14.423 14.762 15.118 15.483 15.853 16.225 16.595 16.964 17.330 17.694 18.055 18.770 18.913 19.055 19.197 19.339 19.481 19.622 19.764 19.906 20.047 20.188 20.330 20.471 20.613 20.754 20.895 21.037 21.178 21.319 21.460 21.601 14.000 13.840 13.964 14.202 14.500 14.831 15.181 15.541 15.908 16.276 16.644 17.010 17.373 17.733 18.089 18.792 18.931 19.069 19.207 19.345 19.482 19.618 19.755 19.890 20.026 20.160 20.295 20.429 20.562 20.695 20.827 20.959 21.091 21.221 21.352 21.482 14.190 13.978 14.076 14.299 14.586 14.909 15.253 15.609 15.971 16.336 16.701 17.065 17.425 17.782 18.135 18.829 18.966 19.102 19.238 19.373 19.507 19.641 19.774 19.907 20.039 20.170 20.300 20.430 20.560 20.688 20.816 20.944 21.070 21.196 21.321 21.446 14.374 14.118 14.193 14.402 14.679 14.994 15.333 15.684 16.042 16.404 16.766 17.127 17.484 17.839 18.189 18.877 19.012 19.147 19.281 19.414 19.547 19.679 19.810 19.941 20.070 20.199 20.328 20.455 20.582 20.708 20.834 20.958 21.082 21.205 21.328 21.449 14.550 14.259 14.314 14.511 14.778 15.086 15.419 15.765 16.120 16.478 16.837 17.194 17.550 17.901 18.249 18.932 19.066 19.200 19.332 19.464 19.596 19.726 19.856 19.985 20.113 20.241 20.368 20.494 20.619 20.743 20.867 20.990 21.112 21.234 21.354 21.474 14.721 14.400 14.439 14.624 14.882 15.184 15.510 15.852 16.202 16.556 16.912 17.267 17.620 17.969 18.314 18.992 19.125 19.258 19.390 19.521 19.651 19.780 19.909 20.037 20.164 20.291 20.416 20.541 20.665 20.788 20.911 21.032 21.153 21.273 21.393 21.511 99999.999 14.542 14.567 14.741 14.991 15.285 15.606 15.943 16.289 16.639 16.992 17.344 17.693 18.040 18.383 19.057 19.189 19.321 19.451 19.582 19.711 19.839 19.967 20.094 20.220 20.346 20.470 20.594 20.717 20.840 20.961 21.082 21.202 21.321 21.439 21.557 an20ab80 Na0.8Ca0.2Al1.2Si2.8O8 P-T:All Wt.(g/mol) = 265.420 V(cc/mol) = 100.196 D(g/cc) = 2.649 Ref: HP2011j 6 0.800 13 0.200 9 1.200 8 2.800 7 -3.200 2 -4.800 1 7.849 6.165 4.587 3.186 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.782 7.849 6.165 4.587 3.186 1.954 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.782 7.850 6.166 4.588 3.188 1.956 0.865 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.782 7.853 6.169 4.592 3.192 1.959 0.869 -0.109 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.782 7.857 6.175 4.597 3.196 1.964 0.874 -0.102 -0.992 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.782 7.865 6.183 4.605 3.205 1.973 0.883 -0.094 -0.982 -1.804 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.782 7.875 6.194 4.618 3.218 1.986 0.896 -0.080 -0.968 -1.789 -2.567 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.782 7.890 6.212 4.636 3.236 2.004 0.915 -0.061 -0.948 -1.767 -2.544 -3.301 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.782 7.910 6.235 4.660 3.261 2.030 0.941 -0.034 -0.920 -1.738 -2.511 -3.265 -4.026 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.782 7.937 6.266 4.692 3.293 2.062 0.974 0.000 -0.883 -1.699 -2.468 -3.216 -3.968 -4.741 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.782 7.970 6.305 4.734 3.335 2.104 1.017 0.045 -0.837 -1.649 -2.414 -3.154 -3.894 -4.654 -5.405 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.782 8.011 6.354 4.785 3.388 2.158 1.072 0.102 -0.777 -1.585 -2.345 -3.076 -3.801 -4.541 -5.298 -5.896 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.782 8.041 6.390 4.824 3.427 2.198 1.113 0.144 -0.732 -1.538 -2.292 -3.017 -3.731 -4.456 -5.203 -5.977 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.782 8.081 6.441 4.877 3.482 2.254 1.170 0.204 -0.670 -1.471 -2.220 -2.934 -3.633 -4.335 -5.059 -5.888 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.782 8.119 6.489 4.928 3.535 2.309 1.226 0.261 -0.609 -1.407 -2.149 -2.855 -3.540 -4.219 -4.915 -5.726 0.903 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.782 8.154 6.534 4.977 3.586 2.361 1.280 0.317 -0.550 -1.344 -2.081 -2.778 -3.450 -4.109 -4.775 -5.543 -3.344 -1.478 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.782 8.187 6.578 5.025 3.635 2.411 1.332 0.372 -0.494 -1.284 -2.015 -2.705 -3.364 -4.004 -4.642 -5.359 -4.304 -3.626 -2.443 -0.742 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.782 8.216 6.619 5.070 3.682 2.460 1.382 0.424 -0.439 -1.225 -1.952 -2.634 -3.281 -3.904 -4.515 -5.181 -4.694 -4.386 -3.851 -3.018 -1.898 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.782 8.244 6.659 5.114 3.728 2.507 1.431 0.475 -0.385 -1.168 -1.890 -2.565 -3.202 -3.809 -4.396 -5.015 -4.882 -4.739 -4.473 -4.042 -3.422 -2.626 -1.745 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.782 8.269 6.695 5.155 3.772 2.552 1.478 0.524 -0.333 -1.112 -1.830 -2.500 -3.128 -3.721 -4.286 -4.862 -4.975 -4.922 -4.792 -4.562 -4.213 -3.733 -3.138 -2.478 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.782 8.291 6.730 5.195 3.814 2.596 1.523 0.571 -0.283 -1.059 -1.773 -2.435 -3.055 -3.637 -4.184 -4.724 -5.016 -5.018 -4.966 -4.849 -4.653 -4.366 -3.988 -3.527 -3.017 -2.496 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.782 8.312 6.764 5.233 3.855 2.639 1.567 0.617 -0.234 -1.008 -1.717 -2.374 -2.986 -3.558 -4.090 -4.599 -5.025 -5.062 -5.061 -5.014 -4.911 -4.744 -4.508 -4.203 -3.838 -3.431 -3.008 -2.591 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.782 8.331 6.795 5.269 3.893 2.680 1.610 0.662 -0.187 -0.957 -1.663 -2.315 -2.921 -3.483 -4.003 -4.489 -5.015 -5.076 -5.109 -5.107 -5.064 -4.975 -4.833 -4.638 -4.388 -4.093 -3.763 -3.413 -3.056 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.782 8.346 6.824 5.303 3.931 2.719 1.651 0.705 -0.142 -0.909 -1.610 -2.258 -2.858 -3.413 -3.922 -4.392 -4.990 -5.069 -5.126 -5.155 -5.153 -5.117 -5.040 -4.920 -4.757 -4.552 -4.308 -4.035 -3.741 -3.434 -3.120 99999.999 99999.999 99999.999 99999.999 99999.999 99999.782 8.360 6.852 5.337 3.967 2.757 1.691 0.747 -0.098 -0.862 -1.560 -2.203 -2.798 -3.347 -3.849 -4.306 -4.956 -5.049 -5.122 -5.174 -5.202 -5.201 -5.171 -5.106 -5.005 -4.869 -4.697 -4.494 -4.264 -4.013 -3.746 -3.466 99999.999 99999.999 99999.999 99999.999 99999.782 8.373 6.877 5.368 4.001 2.793 1.729 0.788 -0.055 -0.816 -1.510 -2.149 -2.740 -3.284 -3.780 -4.230 -4.916 -5.018 -5.105 -5.173 -5.222 -5.248 -5.250 -5.225 -5.171 -5.087 -4.972 -4.827 -4.656 -4.460 -4.243 -4.009 -3.758 -3.493 99999.999 99999.999 99999.782 8.383 6.902 5.399 4.034 2.829 1.767 0.826 -0.013 -0.771 -1.462 -2.098 -2.684 -3.224 -3.717 -4.162 -4.871 -4.980 -5.077 -5.158 -5.222 -5.269 -5.296 -5.300 -5.280 -5.235 -5.165 -5.068 -4.945 -4.799 -4.630 -4.441 -4.233 -4.008 -3.766 99999.999 99999.782 8.391 6.925 5.427 4.066 2.863 1.802 0.864 0.028 -0.728 -1.415 -2.047 -2.631 -3.167 -3.657 -4.100 -4.824 -4.939 -5.041 -5.132 -5.209 -5.271 -5.316 -5.342 -5.349 -5.334 -5.298 -5.239 -5.157 -5.053 -4.926 -4.780 -4.613 -4.429 -4.225 -4.005 -3.766 8.397 6.945 5.454 4.096 2.895 1.837 0.901 0.066 -0.686 -1.370 -1.999 -2.578 -3.111 -3.599 -4.041 -4.774 -4.893 -5.002 -5.100 -5.186 -5.259 -5.318 -5.362 -5.389 -5.398 -5.388 -5.359 -5.310 -5.240 -5.150 -5.041 -4.913 -4.765 -4.601 -4.417 -4.217 8.368 7.078 5.655 4.335 3.159 2.123 1.209 0.397 -0.329 -0.984 -1.580 -2.127 -2.628 -3.089 -3.512 -4.250 -4.381 -4.507 -4.629 -4.745 -4.856 -4.963 -5.064 -5.161 -5.252 -5.338 -5.418 -5.492 -5.561 -5.624 -5.680 -5.729 -5.772 -5.807 -5.836 -5.857 8.196 7.088 5.746 4.473 3.329 2.317 1.425 0.637 -0.065 -0.694 -1.262 -1.779 -2.252 -2.685 -3.081 -3.780 -3.906 -4.029 -4.147 -4.262 -4.374 -4.481 -4.586 -4.687 -4.786 -4.882 -4.975 -5.065 -5.153 -5.238 -5.321 -5.402 -5.479 -5.555 -5.628 -5.699 7.911 7.002 5.751 4.530 3.421 2.437 1.569 0.804 0.125 -0.479 -1.022 -1.512 -1.958 -2.365 -2.735 -3.389 -3.507 -3.621 -3.732 -3.839 -3.944 -4.045 -4.144 -4.240 -4.334 -4.426 -4.516 -4.604 -4.689 -4.774 -4.857 -4.939 -5.019 -5.099 -5.177 -5.254 7.535 6.836 5.683 4.520 3.451 2.498 1.655 0.913 0.257 -0.325 -0.844 -1.310 -1.731 -2.113 -2.460 -3.067 -3.176 -3.281 -3.384 -3.483 -3.579 -3.673 -3.764 -3.853 -3.939 -4.023 -4.106 -4.187 -4.267 -4.345 -4.422 -4.498 -4.572 -4.647 -4.721 -4.793 7.082 6.604 5.556 4.454 3.428 2.507 1.692 0.974 0.340 -0.221 -0.717 -1.161 -1.558 -1.916 -2.241 -2.803 -2.905 -3.002 -3.096 -3.187 -3.275 -3.361 -3.444 -3.525 -3.603 -3.680 -3.755 -3.828 -3.900 -3.971 -4.041 -4.108 -4.177 -4.243 -4.310 -4.375 6.566 6.315 5.377 4.342 3.361 2.475 1.687 0.993 0.382 -0.157 -0.632 -1.054 -1.430 -1.767 -2.070 -2.591 -2.684 -2.774 -2.860 -2.943 -3.024 -3.101 -3.176 -3.250 -3.320 -3.390 -3.457 -3.523 -3.588 -3.651 -3.713 -3.774 -3.834 -3.894 -3.952 -4.010 5.995 5.980 5.154 4.188 3.256 2.406 1.647 0.979 0.390 -0.127 -0.583 -0.985 -1.341 -1.658 -1.940 -2.423 -2.508 -2.590 -2.668 -2.743 -2.817 -2.887 -2.955 -3.021 -3.085 -3.147 -3.207 -3.267 -3.323 -3.380 -3.435 -3.488 -3.542 -3.595 -3.646 -3.698 99999.999 5.603 4.894 3.999 3.116 2.304 1.576 0.933 0.368 -0.129 -0.564 -0.946 -1.283 -1.581 -1.845 -2.290 -2.368 -2.443 -2.514 -2.583 -2.649 -2.713 -2.774 -2.833 -2.890 -2.946 -2.999 -3.052 -3.102 -3.152 -3.200 -3.248 -3.294 -3.340 -3.386 -3.431 an25ab75 Na0.75Ca0.25Al1.25Si2.75O8 P-T:All Wt.(g/mol) = 266.219 V(cc/mol) = 100.233 D(g/cc) = 2.656 Ref: HP2011j 6 0.750 13 0.250 9 1.250 8 2.750 7 -3.000 2 -5.000 1 9.044 7.182 5.455 3.925 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.755 9.044 7.182 5.455 3.925 2.581 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.755 9.046 7.183 5.456 3.927 2.583 1.392 99999.999 99999.999 99999.999 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-3.673 -3.764 -3.853 -3.940 -4.025 -4.109 -4.192 -4.273 -4.352 -4.431 -4.508 -4.586 -4.662 7.926 7.481 6.380 5.207 4.107 3.116 2.235 1.458 0.772 0.166 -0.371 -0.850 -1.279 -1.664 -2.012 -2.615 -2.723 -2.827 -2.928 -3.025 -3.119 -3.211 -3.299 -3.385 -3.468 -3.550 -3.630 -3.707 -3.784 -3.858 -3.932 -4.004 -4.075 -4.145 -4.215 -4.283 7.376 7.164 6.175 5.069 4.016 3.061 2.209 1.456 0.792 0.207 -0.311 -0.770 -1.178 -1.543 -1.871 -2.435 -2.535 -2.631 -2.724 -2.813 -2.901 -2.985 -3.065 -3.145 -3.220 -3.295 -3.367 -3.439 -3.507 -3.575 -3.641 -3.706 -3.770 -3.834 -3.896 -3.958 99999.999 6.806 5.932 4.896 3.892 2.973 2.151 1.424 0.782 0.217 -0.280 -0.720 -1.109 -1.456 -1.764 -2.291 -2.384 -2.473 -2.559 -2.642 -2.722 -2.799 -2.873 -2.945 -3.014 -3.083 -3.148 -3.212 -3.274 -3.335 -3.395 -3.453 -3.511 -3.567 -3.623 -3.678 an30ab70 Na0.7Ca0.3Al1.3Si2.7O8 P-T:All Wt.(g/mol) = 267.018 V(cc/mol) = 100.270 D(g/cc) = 2.663 Ref: HP2011j 6 0.700 13 0.300 9 1.300 8 2.700 7 -2.800 2 -5.200 1 10.245 8.205 6.328 4.670 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.734 10.245 8.205 6.328 4.670 3.213 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.734 10.247 8.207 6.329 4.672 3.215 1.924 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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10.274 8.237 6.360 4.703 3.246 1.957 0.801 -0.250 -1.221 -2.139 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.734 10.290 8.256 6.379 4.722 3.265 1.976 0.821 -0.229 -1.198 -2.114 -3.004 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.734 10.312 8.280 6.405 4.748 3.292 2.003 0.849 -0.199 -1.167 -2.080 -2.966 -3.854 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.734 10.341 8.313 6.439 4.782 3.326 2.038 0.885 -0.161 -1.126 -2.035 -2.915 -3.793 -4.688 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.734 10.376 8.355 6.483 4.826 3.370 2.084 0.932 -0.112 -1.074 -1.978 -2.849 -3.715 -4.596 -5.459 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.734 10.421 8.407 6.537 4.882 3.427 2.141 0.992 -0.049 -1.007 -1.905 -2.767 -3.617 -4.477 -5.348 -6.030 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.734 10.454 8.446 6.578 4.923 3.469 2.184 1.036 -0.002 -0.957 -1.850 -2.705 -3.543 -4.387 -5.249 -6.129 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.734 10.499 8.500 6.635 4.981 3.528 2.245 1.099 0.063 -0.887 -1.774 -2.617 -3.440 -4.259 -5.097 -6.041 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.734 10.541 8.552 6.690 5.038 3.586 2.304 1.160 0.127 -0.819 -1.700 -2.534 -3.341 -4.137 -4.945 -5.871 1.419 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.734 10.580 8.601 6.742 5.092 3.641 2.361 1.219 0.189 -0.753 -1.628 -2.453 -3.246 -4.020 -4.796 -5.677 -3.302 -1.239 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.734 10.617 8.648 6.793 5.144 3.694 2.415 1.276 0.249 -0.690 -1.558 -2.376 -3.155 -3.908 -4.654 -5.481 -4.376 -3.632 -2.327 -0.443 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.734 10.650 8.693 6.842 5.195 3.747 2.469 1.331 0.307 -0.628 -1.492 -2.301 -3.068 -3.802 -4.520 -5.292 -4.817 -4.485 -3.900 -2.982 -1.743 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.734 10.682 8.736 6.889 5.244 3.797 2.520 1.385 0.363 -0.567 -1.426 -2.228 -2.984 -3.702 -4.394 -5.115 -5.034 -4.885 -4.599 -4.130 -3.448 -2.569 -1.594 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.734 10.711 8.776 6.934 5.291 3.845 2.570 1.437 0.418 -0.509 -1.363 -2.159 -2.905 -3.608 -4.276 -4.952 -5.145 -5.096 -4.962 -4.716 -4.336 -3.811 -3.156 -2.427 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.734 10.738 8.815 6.977 5.336 3.892 2.619 1.488 0.472 -0.452 -1.302 -2.091 -2.829 -3.519 -4.168 -4.804 -5.197 -5.210 -5.163 -5.043 -4.834 -4.524 -4.111 -3.605 -3.043 -2.468 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.734 10.763 8.852 7.018 5.380 3.937 2.666 1.537 0.523 -0.398 -1.243 -2.026 -2.756 -3.436 -4.068 -4.672 -5.214 -5.266 -5.276 -5.234 -5.129 -4.952 -4.698 -4.367 -3.968 -3.522 -3.056 -2.596 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.734 10.786 8.887 7.058 5.422 3.981 2.712 1.585 0.573 -0.344 -1.186 -1.964 -2.686 -3.357 -3.976 -4.555 -5.208 -5.288 -5.336 -5.345 -5.307 -5.217 -5.069 -4.860 -4.590 -4.268 -3.908 -3.524 -3.132 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.734 10.805 8.920 7.095 5.462 4.024 2.755 1.630 0.622 -0.293 -1.130 -1.903 -2.620 -3.282 -3.891 -4.452 -5.186 -5.287 -5.361 -5.405 -5.413 -5.383 -5.307 -5.183 -5.010 -4.789 -4.525 -4.228 -3.907 -3.571 -3.228 99999.999 99999.999 99999.999 99999.999 99999.999 99999.734 10.823 8.952 7.133 5.502 4.065 2.798 1.675 0.669 -0.243 -1.076 -1.845 -2.556 -3.213 -3.814 -4.361 -5.154 -5.270 -5.363 -5.433 -5.474 -5.484 -5.460 -5.397 -5.294 -5.150 -4.967 -4.749 -4.500 -4.227 -3.936 -3.631 99999.999 99999.999 99999.999 99999.999 99999.734 10.840 8.981 7.167 5.539 4.104 2.839 1.719 0.715 -0.194 -1.023 -1.788 -2.495 -3.146 -3.741 -4.281 -5.115 -5.241 -5.350 -5.438 -5.503 -5.543 -5.555 -5.537 -5.486 -5.401 -5.282 -5.129 -4.946 -4.735 -4.501 -4.247 -3.975 -3.686 99999.999 99999.999 99999.734 10.854 9.009 7.201 5.575 4.143 2.880 1.760 0.759 -0.146 -0.973 -1.733 -2.436 -3.082 -3.674 -4.209 -5.070 -5.204 -5.324 -5.426 -5.510 -5.572 -5.613 -5.627 -5.615 -5.574 -5.505 -5.405 -5.277 -5.122 -4.941 -4.738 -4.515 -4.271 -4.009 99999.999 99999.734 10.866 9.036 7.232 5.610 4.180 2.918 1.801 0.803 -0.100 -0.923 -1.680 -2.379 -3.022 -3.611 -4.144 -5.022 -5.163 -5.290 -5.404 -5.501 -5.581 -5.642 -5.681 -5.699 -5.692 -5.661 -5.604 -5.521 -5.413 -5.281 -5.125 -4.948 -4.750 -4.531 -4.293 -4.035 10.877 9.060 7.263 5.644 4.215 2.956 1.841 0.844 -0.055 -0.875 -1.628 -2.323 -2.963 -3.550 -4.082 -4.971 -5.117 -5.251 -5.373 -5.481 -5.574 -5.650 -5.710 -5.750 -5.770 -5.769 -5.745 -5.699 -5.630 -5.539 -5.425 -5.290 -5.134 -4.959 -4.762 -4.547 10.888 9.229 7.498 5.914 4.509 3.271 2.176 1.203 0.330 -0.459 -1.180 -1.841 -2.449 -3.008 -3.523 -4.425 -4.586 -4.741 -4.891 -5.034 -5.172 -5.303 -5.429 -5.549 -5.662 -5.770 -5.871 -5.965 -6.052 -6.133 -6.205 -6.271 -6.328 -6.377 -6.419 -6.451 10.758 9.276 7.623 6.083 4.708 3.493 2.420 1.469 0.621 -0.142 -0.834 -1.465 -2.044 -2.575 -3.063 -3.928 -4.084 -4.236 -4.384 -4.526 -4.666 -4.800 -4.931 -5.057 -5.181 -5.301 -5.418 -5.531 -5.641 -5.748 -5.852 -5.954 -6.051 -6.147 -6.239 -6.329 10.514 9.227 7.661 6.171 4.830 3.641 2.591 1.663 0.837 0.098 -0.568 -1.172 -1.723 -2.227 -2.689 -3.508 -3.656 -3.800 -3.940 -4.076 -4.209 -4.337 -4.462 -4.584 -4.703 -4.820 -4.935 -5.046 -5.155 -5.263 -5.368 -5.472 -5.574 -5.675 -5.774 -5.872 10.179 9.098 7.627 6.193 4.889 3.729 2.704 1.797 0.993 0.277 -0.365 -0.944 -1.470 -1.949 -2.387 -3.159 -3.298 -3.433 -3.565 -3.693 -3.817 -3.937 -4.055 -4.170 -4.282 -4.391 -4.498 -4.603 -4.706 -4.807 -4.908 -5.006 -5.102 -5.199 -5.294 -5.387 9.767 8.903 7.534 6.159 4.896 3.767 2.767 1.884 1.102 0.406 -0.214 -0.771 -1.273 -1.728 -2.143 -2.870 -3.001 -3.128 -3.251 -3.370 -3.486 -3.599 -3.708 -3.815 -3.919 -4.021 -4.120 -4.217 -4.313 -4.407 -4.499 -4.589 -4.680 -4.768 -4.856 -4.942 9.292 8.652 7.389 6.078 4.858 3.762 2.789 1.929 1.168 0.494 -0.105 -0.641 -1.121 -1.555 -1.948 -2.633 -2.756 -2.875 -2.990 -3.101 -3.210 -3.314 -3.415 -3.515 -3.611 -3.705 -3.797 -3.886 -3.974 -4.060 -4.145 -4.228 -4.310 -4.392 -4.472 -4.551 8.763 8.354 7.201 5.956 4.783 3.721 2.775 1.940 1.200 0.547 -0.033 -0.549 -1.009 -1.423 -1.796 -2.441 -2.556 -2.668 -2.775 -2.878 -2.979 -3.076 -3.170 -3.262 -3.351 -3.438 -3.522 -3.605 -3.685 -3.764 -3.842 -3.917 -3.993 -4.067 -4.140 -4.212 99999.999 8.015 6.975 5.799 4.673 3.647 2.731 1.919 1.202 0.569 0.009 -0.488 -0.930 -1.325 -1.678 -2.286 -2.394 -2.498 -2.598 -2.695 -2.789 -2.879 -2.966 -3.051 -3.133 -3.213 -3.291 -3.367 -3.440 -3.513 -3.583 -3.653 -3.721 -3.788 -3.855 -3.921 tr.625ac.25prg.125 tr.625ac.25prg.125 P-T:All Wt.(g/mol) = 854.758 V(cc/mol) = 275.125 D(g/cc) = 3.107 Ref: HP2011j 8 -15.000 1 2.000 9 3.625 10 0.375 8 1.250 11 0.125 13 7.750 7 -7.000 2 72.090 63.971 56.742 50.466 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.090 63.971 56.742 50.466 45.019 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.093 63.975 56.746 50.470 45.023 40.259 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.099 63.982 56.753 50.477 45.030 40.267 36.054 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.109 63.993 56.766 50.489 45.043 40.280 36.067 32.292 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.124 64.012 56.784 50.509 45.063 40.300 36.089 32.315 28.883 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.147 64.039 56.813 50.538 45.093 40.331 36.121 32.349 28.920 25.742 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.179 64.077 56.853 50.579 45.135 40.375 36.167 32.398 28.973 25.801 22.785 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.222 64.128 56.908 50.635 45.192 40.434 36.230 32.464 29.045 25.883 22.879 19.938 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.279 64.196 56.980 50.710 45.268 40.513 36.312 32.552 29.141 25.989 23.004 20.090 17.174 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.348 64.282 57.070 50.803 45.365 40.613 36.417 32.664 29.263 26.125 23.163 20.284 17.413 14.564 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.431 64.387 57.183 50.920 45.485 40.739 36.549 32.805 29.416 26.296 23.361 20.528 17.718 14.881 12.334 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.492 64.465 57.268 51.008 45.577 40.833 36.648 32.912 29.531 26.424 23.510 20.710 17.948 15.152 12.219 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.572 64.571 57.384 51.129 45.702 40.964 36.786 33.060 29.692 26.603 23.718 20.963 18.269 15.552 12.535 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.644 64.670 57.494 51.245 45.822 41.090 36.919 33.201 29.846 26.775 23.916 21.204 18.575 15.947 13.015 27.242 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.708 64.763 57.597 51.355 45.937 41.210 37.046 33.338 29.995 26.940 24.107 21.434 18.866 16.328 13.535 17.447 21.480 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.765 64.850 57.696 51.460 46.047 41.326 37.169 33.470 30.138 27.100 24.289 21.653 19.142 16.689 14.050 15.228 16.529 18.975 22.480 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.815 64.931 57.789 51.560 46.153 41.437 37.287 33.597 30.276 27.253 24.464 21.862 19.401 17.028 14.540 14.350 14.789 15.756 17.393 19.617 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.858 65.005 57.877 51.655 46.253 41.544 37.401 33.719 30.410 27.400 24.633 22.060 19.646 17.344 14.995 13.945 14.000 14.348 15.071 16.221 17.727 19.339 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.893 65.074 57.960 51.745 46.349 41.645 37.510 33.836 30.537 27.542 24.793 22.249 19.875 17.635 15.410 13.762 13.610 13.643 13.908 14.449 15.276 16.337 17.493 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.923 65.137 58.037 51.831 46.441 41.743 37.615 33.950 30.661 27.678 24.947 22.428 20.089 17.904 15.784 13.699 13.423 13.273 13.281 13.474 13.873 14.475 15.241 16.090 16.916 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.947 65.195 58.110 51.912 46.529 41.836 37.715 34.058 30.780 27.810 25.095 22.598 20.290 18.150 16.117 13.709 13.351 13.088 12.938 12.920 13.050 13.338 13.777 14.338 14.971 15.615 16.214 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.963 65.249 58.178 51.989 46.612 41.926 37.811 34.163 30.895 27.937 25.237 22.759 20.478 18.375 16.411 13.764 13.351 13.012 12.758 12.603 12.560 12.637 12.838 13.156 13.570 14.048 14.554 15.056 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.975 65.296 58.241 52.061 46.692 42.012 37.904 34.264 31.006 28.059 25.374 22.913 20.654 18.581 16.669 13.849 13.397 13.005 12.680 12.433 12.272 12.204 12.237 12.369 12.596 12.902 13.267 13.670 14.090 14.515 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 72.980 65.339 58.300 52.130 46.767 42.094 37.993 34.361 31.112 28.177 25.505 23.060 20.819 18.770 16.895 13.954 13.473 13.044 12.669 12.357 12.113 11.944 11.856 11.851 11.930 12.086 12.312 12.592 12.916 13.271 13.648 99999.999 99999.999 99999.999 99999.999 99999.999 72.980 65.378 58.355 52.194 46.839 42.172 38.078 34.454 31.215 28.290 25.631 23.200 20.975 18.942 17.093 14.072 13.571 13.114 12.703 12.344 12.040 11.799 11.623 11.517 11.482 11.517 11.620 11.784 12.001 12.263 12.564 12.900 13.268 99999.999 99999.999 99999.999 72.974 65.411 58.406 52.255 46.907 42.247 38.160 34.544 31.313 28.400 25.752 23.333 21.122 19.103 17.269 14.199 13.683 13.205 12.768 12.373 12.027 11.731 11.491 11.309 11.187 11.128 11.130 11.191 11.308 11.475 11.689 11.945 12.242 12.580 99999.999 99999.999 72.963 65.440 58.453 52.312 46.971 42.318 38.238 34.630 31.409 28.505 25.868 23.462 21.262 19.253 17.429 14.332 13.805 13.312 12.854 12.434 12.055 11.719 11.430 11.190 11.003 10.869 10.790 10.765 10.794 10.874 11.003 11.177 11.396 11.659 11.965 12.319 72.947 65.465 58.496 52.365 47.032 42.386 38.313 34.713 31.500 28.607 25.981 23.586 21.396 19.397 17.578 14.469 13.933 13.429 12.956 12.516 12.113 11.747 11.421 11.137 10.898 10.706 10.562 10.467 10.421 10.425 10.476 10.572 10.715 10.902 11.134 11.411 72.525 65.493 58.727 52.718 47.472 42.899 38.898 35.374 32.246 29.445 26.920 24.627 22.538 20.630 18.887 15.831 15.282 14.752 14.241 13.748 13.272 12.813 12.372 11.947 11.539 11.148 10.774 10.417 10.078 9.757 9.455 9.172 8.908 8.664 8.441 8.240 71.707 65.184 58.658 52.792 47.648 43.158 39.233 35.784 32.734 30.017 27.579 25.378 23.381 21.562 19.902 16.989 16.463 15.954 15.461 14.984 14.520 14.070 13.633 13.209 12.797 12.395 12.005 11.625 11.255 10.895 10.545 10.203 9.871 9.548 9.233 8.927 70.572 64.607 58.348 52.643 47.614 43.216 39.370 35.996 33.021 30.381 28.024 25.906 23.993 22.257 20.677 17.914 17.417 16.935 16.469 16.017 15.579 15.153 14.740 14.338 13.946 13.564 13.192 12.828 12.473 12.125 11.784 11.450 11.123 10.801 10.485 10.173 69.181 63.809 57.839 52.312 47.408 43.109 39.347 36.049 33.148 30.581 28.299 26.257 24.420 22.761 21.257 18.640 18.170 17.716 17.277 16.853 16.441 16.042 15.654 15.278 14.911 14.555 14.207 13.868 13.536 13.211 12.893 12.581 12.274 11.973 11.676 11.383 67.579 62.830 57.166 51.829 47.060 42.865 39.191 35.971 33.142 30.646 28.434 26.463 24.698 23.111 21.678 19.197 18.755 18.326 17.914 17.515 17.129 16.756 16.394 16.042 15.702 15.370 15.048 14.732 14.426 14.126 13.832 13.544 13.261 12.984 12.711 12.442 65.799 61.697 56.353 51.216 46.589 42.505 38.922 35.782 33.026 30.599 28.454 26.550 24.853 23.333 21.966 19.614 19.196 18.794 18.406 18.031 17.670 17.320 16.983 16.655 16.338 16.030 15.731 15.439 15.156 14.880 14.609 14.345 14.086 13.833 13.583 13.337 63.869 60.432 55.421 50.492 46.013 42.044 38.556 35.498 32.815 30.456 28.377 26.537 24.904 23.447 22.142 19.912 19.518 19.139 18.774 18.422 18.083 17.757 17.441 17.136 16.841 16.555 16.278 16.009 15.747 15.493 15.244 15.002 14.765 14.533 14.305 14.081 99999.999 59.055 54.385 49.671 45.347 41.497 38.106 35.131 32.523 30.233 28.217 26.440 24.867 23.470 22.224 20.108 19.736 19.379 19.036 18.706 18.389 18.083 17.789 17.505 17.230 16.965 16.708 16.460 16.218 15.984 15.755 15.533 15.316 15.103 14.895 14.691 FMQ_HS-1 FMQ_HS-1 P-T:All Wt.(g/mol) = 000.000 V(cc/mol) = 00.000 D(g/cc) = 00.000 Ref: H&P2011 3 1.000 1 1.000 4 -1.000 6 -31.060 -28.405 -26.233 -24.421 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -31.060 -28.405 -26.233 -24.421 -22.893 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -31.059 -28.404 -26.232 -24.421 -22.892 -21.592 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -31.057 -28.402 -26.230 -24.419 -22.890 -21.590 -20.480 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -31.053 -28.399 -26.228 -24.416 -22.888 -21.588 -20.477 -19.527 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -31.047 -28.394 -26.223 -24.412 -22.884 -21.584 -20.473 -19.523 -18.711 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -31.038 -28.386 -26.216 -24.406 -22.878 -21.578 -20.468 -19.517 -18.705 -18.017 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -31.026 -28.376 -26.206 -24.397 -22.869 -21.570 -20.459 -19.509 -18.696 -18.007 -17.434 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -31.009 -28.361 -26.193 -24.384 -22.857 -21.558 -20.448 -19.497 -18.684 -17.994 -17.419 -16.959 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.985 -28.341 -26.175 -24.367 -22.841 -21.543 -20.433 -19.481 -18.668 -17.976 -17.398 -16.934 -16.595 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.955 -28.315 -26.152 -24.346 -22.821 -21.523 -20.413 -19.461 -18.647 -17.953 -17.372 -16.902 -16.550 -16.358 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.916 -28.281 -26.121 -24.318 -22.794 -21.497 -20.387 -19.435 -18.620 -17.925 -17.340 -16.862 -16.497 -16.272 -16.322 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.886 -28.256 -26.098 -24.296 -22.773 -21.477 -20.367 -19.416 -18.599 -17.903 -17.315 -16.832 -16.457 -16.212 -16.190 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.843 -28.219 -26.064 -24.265 -22.744 -21.448 -20.339 -19.387 -18.570 -17.871 -17.280 -16.790 -16.404 -16.135 -16.047 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.800 -28.182 -26.031 -24.234 -22.715 -21.420 -20.312 -19.359 -18.541 -17.841 -17.246 -16.751 -16.354 -16.065 -15.930 -16.598 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.757 -28.145 -25.998 -24.203 -22.686 -21.392 -20.284 -19.332 -18.513 -17.811 -17.213 -16.713 -16.306 -16.000 -15.830 -15.763 -16.104 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.715 -28.109 -25.965 -24.173 -22.657 -21.364 -20.257 -19.305 -18.485 -17.782 -17.181 -16.676 -16.261 -15.941 -15.740 -15.511 -15.624 -15.859 -16.289 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.672 -28.072 -25.933 -24.142 -22.628 -21.337 -20.230 -19.277 -18.458 -17.753 -17.150 -16.640 -16.218 -15.886 -15.660 -15.356 -15.398 -15.497 -15.677 -15.972 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.630 -28.036 -25.900 -24.112 -22.599 -21.309 -20.203 -19.251 -18.430 -17.724 -17.119 -16.606 -16.178 -15.834 -15.588 -15.240 -15.247 -15.289 -15.376 -15.523 -15.746 -16.053 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.588 -28.000 -25.868 -24.082 -22.571 -21.282 -20.176 -19.224 -18.403 -17.696 -17.089 -16.573 -16.139 -15.786 -15.522 -15.145 -15.131 -15.142 -15.183 -15.261 -15.385 -15.563 -15.798 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.546 -27.964 -25.835 -24.052 -22.543 -21.255 -20.150 -19.198 -18.377 -17.669 -17.060 -16.540 -16.102 -15.741 -15.462 -15.064 -15.036 -15.027 -15.040 -15.080 -15.151 -15.258 -15.405 -15.592 -15.818 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.504 -27.929 -25.803 -24.023 -22.515 -21.228 -20.124 -19.172 -18.350 -17.642 -17.031 -16.509 -16.066 -15.698 -15.407 -14.992 -14.953 -14.930 -14.925 -14.941 -14.979 -15.044 -15.137 -15.261 -15.416 -15.598 -15.802 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.463 -27.893 -25.771 -23.993 -22.487 -21.201 -20.098 -19.146 -18.324 -17.615 -17.003 -16.478 -16.032 -15.658 -15.356 -14.926 -14.879 -14.846 -14.828 -14.827 -14.844 -14.881 -14.940 -15.022 -15.129 -15.258 -15.409 -15.576 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.422 -27.858 -25.739 -23.964 -22.459 -21.175 -20.072 -19.120 -18.299 -17.588 -16.975 -16.448 -15.998 -15.620 -15.310 -14.867 -14.813 -14.772 -14.744 -14.730 -14.731 -14.749 -14.785 -14.839 -14.912 -15.004 -15.115 -15.241 -15.379 -15.526 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -30.380 -27.823 -25.708 -23.934 -22.432 -21.148 -20.046 -19.095 -18.273 -17.562 -16.948 -16.419 -15.967 -15.583 -15.266 -14.811 -14.752 -14.704 -14.668 -14.645 -14.635 -14.638 -14.657 -14.690 -14.740 -14.805 -14.886 -14.981 -15.088 -15.204 -15.327 99999.999 99999.999 99999.999 99999.999 99999.999 -30.339 -27.788 -25.676 -23.905 -22.404 -21.122 -20.020 -19.070 -18.248 -17.536 -16.921 -16.391 -15.936 -15.549 -15.226 -14.759 -14.696 -14.642 -14.600 -14.569 -14.549 -14.542 -14.547 -14.566 -14.598 -14.643 -14.702 -14.773 -14.855 -14.946 -15.045 -15.149 -15.255 99999.999 99999.999 99999.999 -30.299 -27.753 -25.645 -23.876 -22.377 -21.096 -19.995 -19.045 -18.223 -17.511 -16.895 -16.363 -15.905 -15.516 -15.189 -14.710 -14.643 -14.585 -14.537 -14.500 -14.473 -14.457 -14.452 -14.459 -14.477 -14.507 -14.549 -14.601 -14.664 -14.736 -14.814 -14.899 -14.987 -15.077 99999.999 99999.999 -30.258 -27.718 -25.614 -23.847 -22.350 -21.070 -19.970 -19.020 -18.198 -17.486 -16.869 -16.335 -15.876 -15.484 -15.153 -14.663 -14.593 -14.531 -14.479 -14.436 -14.403 -14.380 -14.367 -14.364 -14.372 -14.390 -14.418 -14.456 -14.503 -14.559 -14.622 -14.690 -14.763 -14.838 -14.915 -14.991 -30.217 -27.683 -25.582 -23.819 -22.323 -21.044 -19.945 -18.995 -18.173 -17.461 -16.843 -16.308 -15.847 -15.453 -15.119 -14.619 -14.545 -14.480 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-12.838 -12.732 -12.629 -12.532 -12.439 -12.350 -12.265 -12.184 -12.107 -12.034 -11.964 -11.897 -11.834 -11.774 -11.717 -11.663 -11.612 -11.563 -11.518 -11.474 99999.999 -25.155 -23.326 -21.751 -20.397 -19.226 -18.210 -17.323 -16.544 -15.859 -15.252 -14.715 -14.236 -13.810 -13.430 -12.786 -12.674 -12.566 -12.464 -12.366 -12.272 -12.182 -12.096 -12.015 -11.937 -11.862 -11.791 -11.723 -11.659 -11.597 -11.539 -11.484 -11.431 -11.381 -11.334 -11.289 FMQ_O2-1 FMQ_O2-1 P-T:All Wt.(g/mol) = 000.000 V(cc/mol) = 00.000 D(g/cc) = 00.000 Ref: H&P2011 1 1.000 31 -89.420 -80.960 -73.802 -67.671 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -89.420 -80.960 -73.802 -67.671 -62.361 99999.999 99999.999 99999.999 99999.999 99999.999 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-57.716 -53.622 -49.986 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -89.415 -80.955 -73.798 -67.667 -62.357 -57.714 -53.621 -49.985 -46.735 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -89.412 -80.952 -73.795 -67.664 -62.354 -57.712 -53.618 -49.983 -46.733 -43.810 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -89.407 -80.948 -73.791 -67.660 -62.351 -57.708 -53.615 -49.980 -46.730 -43.808 -41.166 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -89.400 -80.941 -73.785 -67.655 -62.346 -57.704 -53.611 -49.976 -46.726 -43.804 -41.162 -38.763 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -89.391 -80.933 -73.777 -67.648 -62.339 -57.697 -53.605 -49.970 -46.721 -43.799 -41.158 -38.759 -36.571 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -89.379 -80.922 -73.767 -67.638 -62.330 -57.689 -53.597 -49.963 -46.714 -43.792 -41.151 -38.753 -36.565 -34.561 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -89.363 -80.908 -73.754 -67.626 -62.319 -57.678 -53.587 -49.953 -46.705 -43.784 -41.143 -38.745 -36.557 -34.554 -32.712 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -89.351 -80.897 -73.744 -67.617 -62.310 -57.670 -53.579 -49.946 -46.698 -43.777 -41.137 -38.739 -36.552 -34.548 -32.707 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -89.333 -80.881 -73.729 -67.603 -62.297 -57.658 -53.568 -49.935 -46.688 -43.768 -41.128 -38.730 -36.543 -34.540 -32.700 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -89.316 -80.865 -73.714 -67.589 -62.285 -57.646 -53.557 -49.925 -46.678 -43.758 -41.119 -38.722 -36.535 -34.533 -32.692 -29.424 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -89.299 -80.849 -73.700 -67.576 -62.272 -57.634 -53.546 -49.914 -46.668 -43.748 -41.110 -38.713 -36.527 -34.525 -32.684 -29.417 -28.822 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -89.281 -80.833 -73.685 -67.562 -62.259 -57.622 -53.534 -49.904 -46.658 -43.739 -41.101 -38.704 -36.518 -34.517 -32.677 -29.410 -28.815 -28.237 -27.675 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -89.264 -80.817 -73.670 -67.548 -62.246 -57.610 -53.523 -49.893 -46.648 -43.729 -41.092 -38.696 -36.510 -34.509 -32.669 -29.403 -28.808 -28.230 -27.669 -27.123 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -89.247 -80.801 -73.656 -67.535 -62.234 -57.599 -53.512 -49.882 -46.638 -43.720 -41.082 -38.687 -36.502 -34.501 -32.661 -29.396 -28.801 -28.223 -27.662 -27.117 -26.586 -26.071 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -89.229 -80.785 -73.641 -67.521 -62.221 -57.587 -53.501 -49.872 -46.628 -43.710 -41.073 -38.678 -36.494 -34.493 -32.654 -29.389 -28.794 -28.216 -27.655 -27.110 -26.580 -26.064 -25.563 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -89.212 -80.769 -73.626 -67.508 -62.208 -57.575 -53.489 -49.861 -46.617 -43.701 -41.064 -38.670 -36.485 -34.485 -32.646 -29.382 -28.787 -28.209 -27.648 -27.103 -26.573 -26.058 -25.557 -25.069 -24.594 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -89.194 -80.753 -73.612 -67.494 -62.195 -57.563 -53.478 -49.851 -46.607 -43.691 -41.055 -38.661 -36.477 -34.477 -32.639 -29.375 -28.780 -28.203 -27.642 -27.097 -26.567 -26.051 -25.550 -25.062 -24.588 -24.125 -23.675 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -89.177 -80.737 -73.597 -67.480 -62.183 -57.551 -53.467 -49.840 -46.597 -43.682 -41.046 -38.652 -36.469 -34.469 -32.631 -29.368 -28.773 -28.196 -27.635 -27.090 -26.560 -26.045 -25.544 -25.056 -24.581 -24.119 -23.669 -23.230 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -89.160 -80.721 -73.582 -67.467 -62.170 -57.539 -53.456 -49.829 -46.587 -43.672 -41.037 -38.644 -36.460 -34.461 -32.623 -29.361 -28.766 -28.189 -27.628 -27.083 -26.554 -26.039 -25.537 -25.050 -24.575 -24.113 -23.663 -23.224 -22.796 -22.379 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -89.142 -80.706 -73.568 -67.453 -62.157 -57.527 -53.445 -49.819 -46.577 -43.663 -41.028 -38.635 -36.452 -34.453 -32.616 -29.354 -28.759 -28.182 -27.621 -27.077 -26.547 -26.032 -25.531 -25.044 -24.569 -24.107 -23.657 -23.218 -22.790 -22.373 -21.966 99999.999 99999.999 99999.999 99999.999 99999.999 -89.125 -80.690 -73.553 -67.439 -62.145 -57.515 -53.433 -49.808 -46.567 -43.653 -41.019 -38.626 -36.444 -34.445 -32.608 -29.347 -28.752 -28.175 -27.615 -27.070 -26.540 -26.026 -25.525 -25.037 -24.563 -24.101 -23.650 -23.212 -22.784 -22.367 -21.960 -21.563 -21.176 99999.999 99999.999 99999.999 -89.108 -80.674 -73.538 -67.426 -62.132 -57.503 -53.422 -49.798 -46.557 -43.644 -41.010 -38.618 -36.436 -34.437 -32.600 -29.340 -28.745 -28.168 -27.608 -27.063 -26.534 -26.019 -25.518 -25.031 -24.557 -24.094 -23.644 -23.206 -22.778 -22.361 -21.954 -21.558 -21.170 -20.792 99999.999 99999.999 -89.090 -80.658 -73.523 -67.412 -62.119 -57.491 -53.411 -49.787 -46.547 -43.634 -41.001 -38.609 -36.427 -34.429 -32.593 -29.333 -28.738 -28.161 -27.601 -27.057 -26.527 -26.013 -25.512 -25.025 -24.550 -24.088 -23.638 -23.200 -22.772 -22.355 -21.949 -21.552 -21.165 -20.787 -20.417 -20.057 -89.073 -80.642 -73.509 -67.398 -62.106 -57.479 -53.400 -49.776 -46.537 -43.625 -40.992 -38.600 -36.419 -34.421 -32.585 -29.326 -28.731 -28.155 -27.594 -27.050 -26.521 -26.006 -25.506 -25.018 -24.544 -24.082 -23.632 -23.194 -22.766 -22.350 -21.943 -21.546 -21.159 -20.781 -20.412 -20.051 -88.899 -80.483 -73.362 -67.262 -61.979 -57.360 -53.287 -49.670 -46.437 -43.529 -40.901 -38.514 -36.336 -34.342 -32.509 -29.255 -28.662 -28.086 -27.527 -26.983 -26.455 -25.941 -25.442 -24.955 -24.482 -24.021 -23.572 -23.134 -22.707 -22.291 -21.885 -21.489 -21.103 -20.725 -20.357 -19.997 -88.725 -80.323 -73.215 -67.126 -61.852 -57.241 -53.175 -49.564 -46.337 -43.434 -40.810 -38.427 -36.253 -34.263 -32.433 -29.185 -28.592 -28.018 -27.459 -26.917 -26.389 -25.877 -25.378 -24.892 -24.420 -23.959 -23.511 -23.074 -22.648 -22.233 -21.828 -21.432 -21.046 -20.670 -20.302 -19.942 -88.551 -80.164 -73.068 -66.989 -61.725 -57.121 -53.063 -49.459 -46.236 -43.339 -40.719 -38.341 -36.171 -34.183 -32.357 -29.114 -28.523 -27.949 -27.392 -26.850 -26.324 -25.812 -25.314 -24.829 -24.357 -23.898 -23.450 -23.014 -22.589 -22.174 -21.770 -21.375 -20.990 -20.614 -20.247 -19.888 -88.377 -80.005 -72.921 -66.853 -61.597 -57.002 -52.951 -49.353 -46.136 -43.243 -40.629 -38.254 -36.088 -34.104 -32.280 -29.043 -28.453 -27.881 -27.324 -26.784 -26.258 -25.747 -25.250 -24.766 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-61.088 -56.525 -52.502 -48.929 -45.734 -42.862 -40.266 -37.907 -35.756 -33.786 -31.976 -28.761 -28.175 -27.607 -27.054 -26.517 -25.995 -25.488 -24.994 -24.514 -24.046 -23.591 -23.147 -22.715 -22.293 -21.882 -21.481 -21.090 -20.709 -20.336 -19.972 -19.616 kf-ab-equil kf-ab-equil P-T:All Wt.(g/mol) = 000.000 V(cc/mol) = 00.000 D(g/cc) = 00.000 Ref: H&P2011 2 1.000 13 -1.000 12 3.505 3.050 2.674 2.363 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.505 3.050 2.674 2.363 2.101 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.505 3.050 2.674 2.363 2.101 1.880 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.505 3.050 2.675 2.363 2.101 1.880 1.691 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.505 3.050 2.675 2.363 2.101 1.880 1.691 1.529 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.506 3.050 2.675 2.363 2.102 1.880 1.691 1.529 1.388 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.506 3.051 2.675 2.363 2.102 1.880 1.692 1.529 1.388 1.265 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.507 3.051 2.676 2.364 2.102 1.881 1.692 1.529 1.389 1.265 1.156 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.508 3.052 2.676 2.364 2.103 1.881 1.692 1.530 1.389 1.266 1.157 1.059 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.509 3.053 2.677 2.365 2.103 1.882 1.693 1.531 1.390 1.267 1.158 1.060 0.971 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.511 3.054 2.678 2.366 2.104 1.883 1.694 1.532 1.391 1.268 1.159 1.062 0.974 0.893 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.514 3.056 2.679 2.367 2.105 1.884 1.695 1.533 1.392 1.269 1.161 1.064 0.977 0.896 0.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.516 3.057 2.680 2.368 2.106 1.884 1.696 1.533 1.393 1.270 1.162 1.066 0.979 0.899 0.823 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.518 3.059 2.682 2.369 2.107 1.886 1.697 1.535 1.394 1.272 1.164 1.069 0.982 0.903 0.827 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.521 3.061 2.683 2.370 2.108 1.887 1.698 1.536 1.396 1.273 1.166 1.071 0.985 0.907 0.832 0.888 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.523 3.062 2.684 2.371 2.109 1.888 1.699 1.537 1.397 1.275 1.168 1.073 0.988 0.911 0.838 0.804 0.826 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.526 3.064 2.686 2.372 2.110 1.889 1.700 1.538 1.398 1.276 1.169 1.075 0.991 0.915 0.843 0.784 0.783 0.792 0.808 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.529 3.066 2.687 2.374 2.111 1.890 1.701 1.539 1.399 1.277 1.171 1.077 0.993 0.918 0.849 0.776 0.767 0.764 0.767 0.774 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.531 3.067 2.688 2.375 2.112 1.891 1.702 1.540 1.400 1.279 1.172 1.079 0.996 0.922 0.854 0.772 0.760 0.752 0.747 0.746 0.748 0.749 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.534 3.069 2.690 2.376 2.113 1.892 1.703 1.541 1.401 1.280 1.174 1.080 0.998 0.925 0.858 0.771 0.757 0.746 0.737 0.731 0.728 0.726 0.725 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.536 3.071 2.691 2.377 2.114 1.893 1.704 1.542 1.402 1.281 1.175 1.082 1.000 0.927 0.862 0.770 0.756 0.742 0.731 0.723 0.716 0.711 0.708 0.706 0.702 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.538 3.072 2.692 2.378 2.115 1.893 1.705 1.543 1.403 1.282 1.176 1.084 1.002 0.930 0.865 0.771 0.755 0.741 0.729 0.718 0.709 0.702 0.697 0.692 0.689 0.685 0.680 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.541 3.074 2.693 2.379 2.116 1.894 1.706 1.544 1.405 1.283 1.178 1.085 1.004 0.932 0.868 0.771 0.755 0.741 0.727 0.715 0.705 0.696 0.689 0.683 0.678 0.674 0.670 0.666 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.543 3.076 2.695 2.380 2.117 1.895 1.707 1.545 1.405 1.284 1.179 1.086 1.005 0.934 0.871 0.772 0.756 0.741 0.727 0.714 0.703 0.693 0.684 0.677 0.671 0.666 0.661 0.657 0.653 0.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 3.546 3.077 2.696 2.381 2.118 1.896 1.707 1.546 1.406 1.286 1.180 1.088 1.007 0.936 0.873 0.773 0.757 0.741 0.727 0.714 0.702 0.691 0.681 0.673 0.666 0.659 0.654 0.649 0.645 0.641 0.638 99999.999 99999.999 99999.999 99999.999 99999.999 3.548 3.079 2.697 2.382 2.119 1.897 1.708 1.547 1.407 1.287 1.181 1.089 1.008 0.937 0.875 0.775 0.758 0.742 0.727 0.714 0.701 0.690 0.680 0.670 0.662 0.655 0.649 0.644 0.639 0.635 0.631 0.628 0.626 99999.999 99999.999 99999.999 3.550 3.080 2.698 2.383 2.120 1.898 1.709 1.548 1.408 1.288 1.182 1.090 1.010 0.939 0.877 0.776 0.759 0.743 0.728 0.714 0.701 0.690 0.679 0.669 0.660 0.652 0.645 0.639 0.634 0.629 0.625 0.622 0.619 0.617 99999.999 99999.999 3.553 3.082 2.699 2.384 2.121 1.899 1.710 1.548 1.409 1.289 1.183 1.092 1.011 0.940 0.879 0.777 0.760 0.744 0.729 0.715 0.702 0.690 0.679 0.668 0.659 0.650 0.643 0.636 0.630 0.625 0.621 0.617 0.614 0.612 0.610 0.609 3.555 3.083 2.701 2.385 2.121 1.899 1.711 1.549 1.410 1.290 1.185 1.093 1.012 0.942 0.880 0.779 0.762 0.745 0.730 0.716 0.703 0.690 0.679 0.668 0.658 0.649 0.641 0.634 0.628 0.622 0.617 0.613 0.609 0.607 0.604 0.603 3.577 3.097 2.711 2.394 2.129 1.907 1.718 1.557 1.418 1.298 1.194 1.103 1.023 0.954 0.893 0.792 0.775 0.759 0.744 0.729 0.715 0.702 0.690 0.678 0.667 0.657 0.647 0.637 0.629 0.621 0.613 0.606 0.599 0.593 0.588 0.583 3.598 3.110 2.721 2.401 2.136 1.913 1.724 1.563 1.424 1.305 1.201 1.111 1.032 0.964 0.903 0.804 0.788 0.772 0.757 0.742 0.729 0.716 0.703 0.692 0.681 0.670 0.660 0.651 0.642 0.634 0.626 0.618 0.611 0.605 0.598 0.593 3.618 3.122 2.729 2.408 2.142 1.918 1.729 1.568 1.429 1.310 1.207 1.118 1.040 0.972 0.912 0.815 0.798 0.782 0.767 0.753 0.740 0.727 0.715 0.704 0.693 0.683 0.673 0.664 0.656 0.647 0.640 0.632 0.625 0.619 0.613 0.607 3.637 3.134 2.737 2.414 2.147 1.922 1.733 1.572 1.434 1.315 1.212 1.123 1.046 0.978 0.919 0.823 0.807 0.791 0.777 0.763 0.750 0.737 0.726 0.715 0.704 0.694 0.685 0.676 0.667 0.659 0.652 0.645 0.638 0.632 0.626 0.620 3.655 3.144 2.744 2.420 2.151 1.926 1.737 1.575 1.437 1.319 1.216 1.128 1.051 0.984 0.925 0.830 0.814 0.799 0.785 0.771 0.758 0.746 0.734 0.724 0.713 0.704 0.694 0.686 0.678 0.670 0.663 0.656 0.650 0.643 0.638 0.632 3.672 3.154 2.751 2.425 2.155 1.930 1.740 1.578 1.440 1.322 1.220 1.131 1.055 0.988 0.930 0.836 0.820 0.805 0.791 0.778 0.765 0.753 0.742 0.731 0.721 0.712 0.703 0.694 0.687 0.679 0.672 0.665 0.659 0.653 0.648 0.643 3.689 3.164 2.757 2.429 2.159 1.933 1.743 1.581 1.443 1.325 1.223 1.135 1.058 0.992 0.935 0.841 0.826 0.811 0.797 0.784 0.771 0.760 0.748 0.738 0.728 0.719 0.710 0.702 0.694 0.687 0.680 0.674 0.668 0.662 0.657 0.652 99999.999 3.173 2.763 2.433 2.162 1.936 1.745 1.583 1.445 1.327 1.225 1.137 1.061 0.995 0.938 0.846 0.830 0.816 0.802 0.789 0.776 0.765 0.754 0.744 0.734 0.725 0.716 0.708 0.701 0.694 0.687 0.681 0.675 0.670 0.664 0.660 florencite-La LaAl3(PO4)2(OH)6 P-T:L-V Wt.(g/mol) = 511.841 V(cc/mol) = 137.962 D(g/cc) = 3.710 Ref: Gaboreau04 5 1.000 51 3.000 8 2.000 27 6.000 2 -8.000 1 -0.676 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 florencite-Ce CeAl3(PO4)2(OH)6 P-T:L-V Wt.(g/mol) = 513.052 V(cc/mol) = 138.289 D(g/cc) = 3.710 Ref: Gaboreau04 5 1.000 52 3.000 8 2.000 27 6.000 2 -8.000 1 -2.185 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 florencite-Pr PrAl3(PO4)2(OH)6 P-T:L-V Wt.(g/mol) = 513.844 V(cc/mol) = 138.502 D(g/cc) = 3.710 Ref: Gaboreau04 5 1.000 53 3.000 8 2.000 27 6.000 2 -8.000 1 -1.261 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 florencite-Nd NdAl3(PO4)2(OH)6 P-T:L-V Wt.(g/mol) = 517.178 V(cc/mol) = 138.283 D(g/cc) = 3.710 Ref: Gaboreau04 5 1.000 54 3.000 8 2.000 27 6.000 2 -8.000 1 -3.594 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 florencite-Sm SmAl3(PO4)2(OH)6 P-T:L-V Wt.(g/mol) = 523.296 V(cc/mol) = 139.919 D(g/cc) = 3.710 Ref: Gaboreau04 5 1.000 56 3.000 8 2.000 27 6.000 2 -8.000 1 -5.383 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 florencite-Eu EuAl3(PO4)2(OH)6 P-T:L-V Wt.(g/mol) = 524.900 V(cc/mol) = 140.347 D(g/cc) = 3.710 Ref: Gaboreau04 5 1.000 57 3.000 8 2.000 27 6.000 2 -8.000 1 -1.186 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 florencite-Gd GdAl3(PO4)2(OH)6 P-T:L-V Wt.(g/mol) = 530.189 V(cc/mol) = 141.672 D(g/cc) = 3.710 Ref: Gaboreau04 5 1.000 58 3.000 8 2.000 27 6.000 2 -8.000 1 0.041 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 Al2(SO4)3 Al2(SO4)3 P-T:L-V Wt.(g/mol) = 342.150 D(g/cc) = 0.000 Ref: RHF78 2 2.000 8 3.000 4 19.675 14.642 5.617 -2.395 -9.810 -16.990 -24.503 -33.120 altaite PbTe P-T:L-V Wt.(g/mol) = 334.790 D(g/cc) = 0.000 Ref: BI89 3 -1.000 1 1.000 17 1.000 41 -25.903 -24.050 -21.247 -19.250 -17.771 -16.820 -16.283 -15.790 BaO,s BaO P-T:L-V Wt.(g/mol) = 153.330 D(g/cc) = 6.000 Ref: RHF78 3 -2.000 1 1.000 2 1.000 22 48.162 44.461 38.543 34.028 30.456 27.523 24.975 22.360 berzelianite Cu2Se P-T:L-V Wt.(g/mol) = 206.05 D(g/cc) = 6.700 Ref: XI03 3 2.000 16 1.000 43 -1.000 1 -37.740 -34.790 -29.880 -26.290 -23.560 -21.460 -19.920 99999.999 boulangerite Pb5Sb4S11 P-T:L-V Wt.(g/mol) = 1875.650 D(g/cc) = 0.000 Ref: SR89c 5 -12.000 2 4.000 24 11.000 6 1.000 1 5.000 17 -183.350 -170.050 -150.100 -136.200 -126.650 -120.850 -119.700 99999.999 boulangerite Pb5Sb4S11 P-T:L-V Wt.(g/mol) = 1875.650 D(g/cc) = 0.000 Ref: SR89c 6 -12.000 2 4.000 24 -22.000 31 12.000 1 5.000 17 11.000 4 267.678 244.158 205.336 174.676 149.438 127.806 108.192 99999.999 bournonite PbCuSbS3 P-T:L-V Wt.(g/mol) = 488.680 D(g/cc) = 0.000 Ref: SR89c 5 -3.000 2 1.000 16 1.000 17 1.000 24 3.000 6 -60.210 -55.790 -49.030 -44.240 -40.850 -38.620 -37.740 99999.999 bournonite PbCuSbS3 P-T:L-V Wt.(g/mol) = 488.680 D(g/cc) = 0.000 Ref: SR89c 7 -3.000 2 1.000 16 1.000 17 1.000 24 -6.000 31 3.000 1 3.000 4 354.810 323.530 271.910 231.100 197.470 168.620 142.440 99999.999 breithauptite NiSb P-T:L-V Wt.(g/mol) = 180.460 D(g/cc) = 0.000 Ref: NIC1 6 -2.625 1 -0.625 4 -0.500 2 1.000 26 1.000 24 0.625 6 8.550 8.880 9.540 10.180 10.810 11.410 11.940 99999.999 breithauptite! NiSb P-T:L-V Wt.(g/mol) = 180.460 D(g/cc) = 0.000 Ref: BI89 6 -2.625 1 -0.625 4 -0.500 2 1.000 26 1.000 24 0.625 6 3.151 2.835 2.451 2.255 2.151 2.132 2.261 2.700 breithauptite NiSb P-T:L-V Wt.(g/mol) = 180.460 D(g/cc) = 0.000 Ref: NIC1 5 -2.000 1 -0.500 2 -1.250 31 1.000 26 1.000 24 95.013 87.905 76.403 67.543 60.460 54.585 49.478 99999.999 calaverite AuTe2 P-T:L-V Wt.(g/mol) = 452.160 D(g/cc) = 0.000 Ref: ZH94 6 -1.500 2 -0.375 6 1.000 19 2.000 41 0.375 4 1.375 1 -80.897 -74.818 -65.457 -58.641 -53.624 -50.006 -47.497 99999.999 calaverite AuTe2 P-T:L-V Wt.(g/mol) = 452.160 D(g/cc) = 0.000 Ref: ZH94 5 -1.500 2 1.000 19 2.000 41 1.000 1 0.750 31 -132.775 -122.233 -105.575 -93.059 -83.414 -75.911 -70.020 99999.999 caminite-625 Mg1.25(SO4)(OH)0.5*0.5(H2O) P-T:L-V Wt.(g/mol) = 143.950 D(g/cc) = 0.000 Ref: JA83? 4 -0.500 1 1.000 2 1.000 4 1.250 10 5.300 4.190 1.980 -0.100 -1.980 -3.730 -5.590 99999.999 caminite-75 Mg1.5(SO4)(OH) P-T:L-V Wt.(g/mol) = 149.520 D(g/cc) = 0.000 Ref: JA83? 4 -1.000 1 1.500 10 1.000 4 1.000 2 9.170 7.660 4.830 2.320 0.130 -1.920 -4.040 99999.999 cattierite CoS2 P-T:L-V Wt.(g/mol) = 123.040 D(g/cc) = 0.000 Ref: BAR77 5 -1.000 2 1.000 28 1.750 6 0.250 4 0.250 1 -28.615 -27.027 -24.806 -23.459 -22.764 -22.682 -23.462 -26.614 clausthalite PbSe P-T:L-V Wt.(g/mol) = 286.16 D(g/cc) = 8.190 Ref: XI03 3 1.000 17 1.000 43 -1.000 1 -20.780 -19.282 -16.850 -15.170 -13.980 -13.190 -12.800 99999.999 cobaltite CoAsS P-T:L-V Wt.(g/mol) = 165.920 D(g/cc) = 0.000 Ref: NIC1 6 -1.500 2 -0.375 1 -0.375 4 1.000 25 1.000 28 1.375 6 -17.240 -16.490 -15.610 -15.270 -15.310 -15.690 -16.540 99999.999 cobaltite-1 CoAsS P-T:L-V Wt.(g/mol) = 165.920 D(g/cc) = 0.000 Ref: RG95 6 -1.500 2 -0.375 1 -0.375 4 1.000 25 1.000 28 1.375 6 -19.055 -18.131 -16.886 -16.186 -15.946 -16.082 -16.564 -17.304 CoFe2O4 CoFe2O4 P-T:L-V Wt.(g/mol) = 234.620 D(g/cc) = 0.000 Ref: BAR77 5 1.000 28 2.000 11 3.000 2 0.500 31 -6.000 1 0.764 -0.081 -1.263 -2.024 -2.573 -3.133 -4.106 99999.999 CoFe2O4 CoFe2O4 P-T:L-V Wt.(g/mol) = 234.620 D(g/cc) = 0.000 Ref: BAR77 6 1.000 28 2.000 11 3.000 2 0.250 4 -0.250 6 -5.750 1 35.349 31.529 25.482 20.921 17.287 14.137 10.909 5.862 CoO,s CoO P-T:L-V Wt.(g/mol) = 74.930 D(g/cc) = 6.400 Ref: RHF78 3 -2.000 1 1.000 28 1.000 2 13.623 12.186 9.922 8.228 6.895 5.767 4.658 3.032 Co(OH)3,s Co(OH)3 P-T:L-V Wt.(g/mol) = 109.930 D(g/cc) = 0.000 Ref: BAR77 5 -1.875 1 -0.125 6 1.000 28 2.500 2 0.125 4 25.449 23.380 20.140 17.728 15.842 14.264 12.757 10.689 Co(OH)3,s Co(OH)3 P-T:L-V Wt.(g/mol) = 109.930 D(g/cc) = 0.000 Ref: BAR77 4 -2.000 1 0.250 31 1.000 28 2.500 2 8.157 7.575 6.767 6.255 5.912 5.629 5.250 99999.999 Co3O4,s Co3O4 P-T:L-V Wt.(g/mol) = 240.790 D(g/cc) = 0.000 Ref: RHF78 5 -5.750 1 -0.250 6 3.000 28 3.000 2 0.250 4 50.771 45.788 37.526 30.907 25.361 20.435 15.555 8.969 Co3O4,s Co3O4 P-T:L-V Wt.(g/mol) = 240.790 D(g/cc) = 0.000 Ref: RHF78 4 -6.000 1 0.500 31 3.000 28 3.000 2 16.186 14.178 10.781 7.962 5.501 3.165 0.540 99999.999 CoSO4,s CoSO4 P-T:L-V Wt.(g/mol) = 154.950 D(g/cc) = 0.000 Ref: BAR77 2 1.000 28 1.000 4 2.896 1.746 -0.384 -2.335 -4.216 -6.193 -8.644 -13.144 enargite Cu3AsS4 P-T:L-V Wt.(g/mol) = 393.800 D(g/cc) = 0.000 Ref: SR89c 6 -4.000 2 3.000 16 1.000 25 2.250 1 3.750 6 0.250 4 -101.120 -93.950 -83.160 -75.720 -70.600 -67.360 -66.130 99999.999 enargite Cu3AsS4 P-T:L-V Wt.(g/mol) = 393.800 D(g/cc) = 0.000 Ref: SR89c 6 -4.000 2 3.000 16 1.000 25 6.000 1 -7.500 31 4.000 4 417.654 380.200 318.016 268.454 227.300 191.690 159.094 99999.999 Fe2(SO4)3,s Fe2(SO4)3 P-T:L-V Wt.(g/mol) = 399.880 D(g/cc) = 0.000 Ref: RHF78 5 -0.250 6 -1.000 2 2.000 11 2.250 1 3.250 4 20.793 16.883 9.741 3.278 -2.804 -8.819 -15.329 -23.629 Fe2(SO4)3,s Fe2(SO4)3 P-T:L-V Wt.(g/mol) = 399.880 D(g/cc) = 0.000 Ref: RHF78 5 -1.000 2 2.000 11 2.000 1 3.000 4 0.500 31 -13.792 -14.727 -17.004 -19.667 -22.664 -26.089 -30.334 99999.999 ferroselite FeSe2 P-T:L-V Wt.(g/mol) = 213.77 D(g/cc) = 7.210 Ref: XI03 6 0.250 1 0.250 4 1.000 11 2.000 43 -1.000 2 -0.250 6 -22.225 -21.098 -19.400 -18.445 -17.999 -18.010 -18.557 99999.999 ferroselite FeSe2 P-T:L-V Wt.(g/mol) = 213.77 D(g/cc) = 7.210 Ref: XI03 4 1.000 11 0.500 31 2.000 43 -1.000 2 -56.804 -52.789 -46.158 -41.391 -37.850 -35.267 -33.559 99999.999 FeS-amorphous FeS P-T:L-V Wt.(g/mol) = 87.910 D(g/cc) = 0.000 Ref: SB91 3 1.000 11 1.000 6 -1.000 1 -3.488 -3.471 -3.583 -3.596 -3.783 -4.122 -4.654 -5.600 FeS-amorphous FeS P-T:L-V Wt.(g/mol) = 87.910 D(g/cc) = 0.000 Ref: SB91 3 1.000 11 -2.000 31 1.000 4 134.829 122.966 103.447 88.189 75.619 64.903 55.353 45.956 FeSO4,s FeSO4 P-T:L-V Wt.(g/mol) = 151.910 D(g/cc) = 0.000 Ref: PH88 2 1.000 11 1.000 4 1.919 0.870 -1.079 -2.876 -4.602 -6.347 -8.287 -10.798 franklinite ZnFe2O4 P-T:L-V Wt.(g/mol) = 241.060 D(g/cc) = 0.000 Ref: WAG69 6 -5.750 1 -0.250 6 1.000 15 2.000 11 3.000 2 0.250 4 29.361 25.982 20.651 16.653 13.474 10.700 7.787 3.006 gaspeite NiCO3 P-T:L-V Wt.(g/mol) = 118.720 D(g/cc) = 0.000 Ref: BI89 3 -1.000 1 1.000 26 1.000 5 2.578 1.729 0.583 -0.428 -1.500 -2.641 -3.909 99999.999 gersdorfite NiAsS P-T:L-V Wt.(g/mol) = 165.690 D(g/cc) = 0.000 Ref: RG95 6 -1.500 2 -0.375 1 -0.375 4 1.000 25 1.000 26 1.375 6 -22.323 -20.984 -19.885 -19.310 -19.180 -19.414 -19.986 -20.802 heazelwoodite Ni3S2 P-T:L-V Wt.(g/mol) = 240.220 D(g/cc) = 0.000 Ref: PH88 5 -4.250 1 -0.250 4 3.000 26 2.250 6 1.000 2 -8.675 -9.274 -10.453 -11.639 -12.893 -14.284 -15.981 -18.083 heazelwoodite Ni3S2 P-T:L-V Wt.(g/mol) = 240.220 D(g/cc) = 0.000 Ref: PH88 5 -2.000 1 2.000 4 3.000 26 -4.500 31 1.000 2 302.520 275.194 230.339 194.831 165.684 140.920 118.894 97.623 hessite Ag2Te P-T:L-V Wt.(g/mol) = 343.340 D(g/cc) = 0.000 Ref: BI89 3 -1.000 1 2.000 18 1.000 41 -52.586 -48.309 -41.574 -36.516 -32.649 -29.706 -27.457 -25.417 jaipurite CoS P-T:L-V Wt.(g/mol) = 90.990 D(g/cc) = 0.000 Ref: BAR77 3 -1.000 1 1.000 28 1.000 6 -9.294 -9.044 -8.769 -8.704 -8.836 -9.204 -9.999 -12.158 jarosite KFe3(SO4)2(OH)6 P-T:L-V Wt.(g/mol) = 500.840 D(g/cc) = 0.000 Ref: IL95 6 -2.625 1 -0.375 6 1.000 12 3.000 11 2.375 4 4.500 2 17.012 14.544 10.080 6.032 2.158 -1.764 -6.145 99999.999 jarosite KFe3(SO4)2(OH)6 P-T:L-V Wt.(g/mol) = 500.840 D(g/cc) = 0.000 Ref: IL95 6 -3.000 1 1.000 12 3.000 11 2.000 4 4.500 2 0.750 31 -34.866 -32.871 -30.038 -28.386 -27.632 -27.669 -28.668 99999.999 kullerudite NiSe2 P-T:L-V Wt.(g/mol) = 216.61 D(g/cc) = 6.720 Ref: XI03 6 0.250 1 0.250 4 1.000 26 2.000 43 -1.000 2 -0.250 6 -34.305 -32.426 -29.470 -27.585 -26.409 -25.830 -25.897 99999.999 kullerudite NiSe2 P-T:L-V Wt.(g/mol) = 216.61 D(g/cc) = 6.720 Ref: XI03 4 1.000 26 0.500 31 2.000 43 -1.000 2 -68.884 -64.117 -56.228 -50.531 -46.260 -43.087 -40.899 99999.999 linnaeite Co2S4 P-T:L-V Wt.(g/mol) = 305.030 D(g/cc) = 0.000 Ref: BAR77 5 -1.750 1 -1.000 2 3.000 28 3.750 6 0.250 4 -49.402 -47.139 -44.083 -42.373 -41.715 -42.143 -44.289 -51.544 maucherite Ni11As8 P-T:L-V Wt.(g/mol) = 1245.000 D(g/cc) = 0.000 Ref: BI89 6 -19.750 1 -5.750 4 -1.000 2 11.000 26 8.000 25 5.750 6 38.879 34.534 28.574 24.774 22.161 20.525 20.177 99999.999 MnO2,s MnO2 P-T:L-V Wt.(g/mol) = 86.940 D(g/cc) = 5.060 Ref: RHF78 5 1.000 14 1.000 2 0.250 4 -1.750 1 -0.250 6 33.273 30.447 26.067 22.841 20.341 18.278 16.361 13.876 MnO2,s MnO2 P-T:L-V Wt.(g/mol) = 86.940 D(g/cc) = 5.060 Ref: RHF78 4 1.000 14 1.000 2 -2.000 1 0.500 31 -1.312 -1.163 -0.678 -0.104 0.481 1.008 1.346 99999.999 Mn2O3,s Mn2O3 P-T:L-V Wt.(g/mol) = 157.870 D(g/cc) = 4.950 Ref: RHF78 5 2.000 14 2.000 2 0.250 4 -3.750 1 -0.250 6 41.472 37.751 31.881 27.486 24.038 21.144 18.364 14.484 Mn2O3,s Mn2O3 P-T:L-V Wt.(g/mol) = 157.870 D(g/cc) = 4.950 Ref: RHF78 4 2.000 14 2.000 2 -4.000 1 0.500 31 6.887 6.141 5.136 4.541 4.178 3.874 3.349 99999.999 Mn3O4,s Mn3O4 P-T:L-V Wt.(g/mol) = 228.810 D(g/cc) = 4.860 Ref: RHF78 5 3.000 14 3.000 2 0.250 4 -5.750 1 -0.250 6 52.897 48.108 40.593 35.004 30.639 26.972 23.398 18.198 Mn3O4,s Mn3O4 P-T:L-V Wt.(g/mol) = 228.810 D(g/cc) = 4.860 Ref: RHF78 4 3.000 14 3.000 2 -6.000 1 0.500 31 18.312 16.498 13.848 12.059 10.779 9.702 8.383 99999.999 moncheite PtTe2 P-T:L-V Wt.(g/mol) = 450.290 D(g/cc) = 0.000 Ref: MW88 6 -1.000 2 -0.250 6 1.000 40 2.000 41 0.250 4 0.250 1 -96.063 -89.465 -79.176 -71.780 -66.270 -61.876 -58.354 -55.053 moncheite PtTe2 P-T:L-V Wt.(g/mol) = 450.290 D(g/cc) = 0.000 Ref: MW88 4 -1.000 2 1.000 40 2.000 41 0.500 31 -130.648 -121.075 -105.921 -94.725 -86.130 -79.146 -73.369 99999.999 naumanniite Ag2Se P-T:L-V Wt.(g/mol) = 294.70 D(g/cc) = 7.250 Ref: XI03 3 2.000 18 1.000 43 -1.000 1 -43.510 -39.964 -34.060 -29.740 -26.470 -23.930 -22.030 99999.999 NiCl2,s NiCl2 P-T:L-V Wt.(g/mol) = 129.600 D(g/cc) = 0.000 Ref: WO90 2 1.000 26 2.000 3 8.611 7.444 5.379 3.569 1.887 0.206 -1.602 -3.663 NiCl2*(H2O)2 NiCl2*2(H2O) P-T:L-V Wt.(g/mol) = 165.650 D(g/cc) = 0.000 Ref: WO90 3 1.000 26 2.000 3 2.000 2 3.933 3.400 2.471 1.652 0.850 -0.026 -1.066 -2.364 NiCl2*(H2O)4 NiCl2*4(H2O) P-T:L-V Wt.(g/mol) = 201.680 D(g/cc) = 0.000 Ref: WO90 3 1.000 26 2.000 3 4.000 2 3.856 3.648 3.358 3.152 2.931 2.596 2.050 1.191 NiCl2*(H2O)6 NiCl2*6(H2O) P-T:L-V Wt.(g/mol) = 237.710 D(g/cc) = 0.000 Ref: WO90 3 1.000 26 2.000 3 6.000 2 3.168 3.195 3.397 3.693 3.965 4.093 3.959 3.443 Ni(OH)2 Ni(OH)2 P-T:L-V Wt.(g/mol) = 92.700 D(g/cc) = 0.000 Ref: WO90 3 -2.000 1 1.000 26 2.000 2 12.747 11.476 9.511 8.116 7.056 6.092 4.989 3.508 NiS2,s NiS2 P-T:L-V Wt.(g/mol) = 122.820 D(g/cc) = 0.000 Ref: PH88 5 -1.000 2 1.000 26 0.250 4 1.750 6 0.250 1 -26.503 -25.110 -23.186 -22.061 -21.517 -21.464 -21.973 -23.405 NiS2,s NiS2 P-T:L-V Wt.(g/mol) = 122.820 D(g/cc) = 0.000 Ref: PH88 5 -1.000 2 -3.500 31 1.000 26 2.000 4 2.000 1 215.592 196.160 164.029 138.554 117.503 99.426 83.132 99999.999 paralaurite PbCl(OH) P-T:L-V Wt.(g/mol) = 259.640 D(g/cc) = 0.000 Ref: BAR77 4 -1.000 1 1.000 17 1.000 2 1.000 3 0.226 0.299 0.339 0.283 0.122 -0.203 -0.878 -2.732 pearceite Ag8Cu8As2S11 Ssln ID, Coef: 13 0.400 P-T:L-V Wt.(g/mol) = 1873.800 D(g/cc) = 0.000 Ref: SR89c 6 -6.000 2 -3.000 1 8.000 18 8.000 16 2.000 25 11.000 6 -345.840 -318.790 -276.630 -246.020 -223.380 -207.050 -197.150 99999.999 pearceite Ag8Cu8As2S11 Ssln ID, Coef: 13 0.400 P-T:L-V Wt.(g/mol) = 1873.800 D(g/cc) = 0.000 Ref: SR89c 7 -6.000 2 8.000 1 8.000 18 8.000 16 2.000 25 -22.000 31 11.000 4 1175.900 1072.050 900.150 763.560 650.460 552.830 463.510 99999.999 polybasite Ag8Cu8Sb2S11 Ssln ID, Coef: 13 0.400 P-T:L-V Wt.(g/mol) = 1967.450 D(g/cc) = 0.000 Ref: SR89c 6 -6.000 2 -5.000 1 8.000 18 8.000 16 2.000 24 11.000 6 -342.550 -315.400 -273.050 -242.050 -219.000 -202.200 -191.750 99999.999 polybasite Ag8Cu8Sb2S11 Ssln ID, Coef: 13 0.400 P-T:L-V Wt.(g/mol) = 1967.450 D(g/cc) = 0.000 Ref: SR89c 7 -6.000 2 6.000 1 8.000 18 8.000 16 2.000 24 -22.000 31 11.000 4 1179.190 1075.440 903.730 767.530 654.840 557.680 468.910 99999.999 PtTe PtTe P-T:L-V Wt.(g/mol) = 322.690 D(g/cc) = 0.000 Ref: MW88 3 -1.000 1 1.000 40 1.000 41 -66.898 -62.262 -54.892 -49.480 -45.379 -42.028 -39.309 -36.673 polydymite Ni3S4 P-T:L-V Wt.(g/mol) = 304.330 D(g/cc) = 0.000 Ref: PH88 5 -1.000 2 -1.750 1 3.000 26 3.750 6 0.250 4 -43.991 -42.256 -40.046 -39.018 -38.882 -39.541 -41.189 -44.416 polydymite Ni3S4 P-T:L-V Wt.(g/mol) = 304.330 D(g/cc) = 0.000 Ref: PH88 5 -1.000 2 -7.500 31 3.000 26 2.000 1 4.000 4 474.784 431.894 361.129 305.157 259.018 219.509 184.036 99999.999 proustite Ag3AsS3 Ssln ID, Coef: 11 1.000 P-T:L-V Wt.(g/mol) = 494.700 D(g/cc) = 0.000 Ref: SR89c 5 1.000 1 -3.000 2 3.000 18 3.000 6 1.000 25 -88.000 -81.330 -71.240 -64.180 -59.220 -55.960 -54.330 99999.999 proustite Ag3AsS3 Ssln ID, Coef: 11 1.000 P-T:L-V Wt.(g/mol) = 494.700 D(g/cc) = 0.000 Ref: SR89c 6 -3.000 2 3.000 18 -6.000 31 1.000 25 4.000 1 3.000 4 327.020 297.990 249.700 211.160 179.100 151.280 125.930 99999.999 pyrargyrite Ag3SbS3 Ssln ID, Coef: 11 1.000 P-T:L-V Wt.(g/mol) = 541.540 D(g/cc) = 0.000 Ref: SR89c 4 -3.000 2 3.000 18 3.000 6 1.000 24 -81.360 -74.920 -64.960 -57.760 -52.520 -48.840 -46.700 99999.999 pyrargyrite Ag3SbS3 Ssln ID, Coef: 11 1.000 P-T:L-V Wt.(g/mol) = 541.540 D(g/cc) = 0.000 Ref: SR89c 6 -3.000 2 3.000 18 -6.000 31 1.000 24 3.000 1 3.000 4 333.660 304.400 255.980 217.580 185.800 158.400 133.480 99999.999 safflorite CoAs2 P-T:L-V Wt.(g/mol) = 208.770 D(g/cc) = 0.000 Ref: NIC1 6 -1.000 1 -2.000 2 -1.000 4 1.000 28 2.000 25 1.000 6 -7.950 -7.340 -6.340 -5.560 -4.920 -4.380 -3.900 99999.999 scheelite CaWO4 P-T:L-V Wt.(g/mol) = 287.920 D(g/cc) = 6.010 Ref: HE90-FTA 2 1.000 9 1.000 44 -6.76 -8.38 -10.64 -11.87 -12.52 -12.82 -13.05 -13.63 selenium Se P-T:L-V Wt.(g/mol) = 78.96 D(g/cc) = 4.810 Ref: XI03 5 1.250 1 0.250 4 1.000 43 -1.000 2 -0.250 6 -16.125 -15.140 -13.600 -12.635 -12.019 99999.999 99999.999 99999.999 selenium Se P-T:L-V Wt.(g/mol) = 78.96 D(g/cc) = 4.810 Ref: XI03 4 1.000 1 0.500 31 1.000 43 -1.000 2 -50.704 -46.831 -40.358 -35.581 -31.870 99999.999 99999.999 99999.999 Sphaerocobaltite CoCO3 P-T:L-V Wt.(g/mol) = 118.910 D(g/cc) = 0.000 Ref: BAR77 3 -1.000 1 1.000 28 1.000 5 1.086 0.562 -0.370 -1.191 -1.979 -2.836 -3.990 -6.377 tellurium Te P-T:L-V Wt.(g/mol) = 127.600 D(g/cc) = 0.000 Ref: RHF78 5 -0.250 6 -1.000 2 1.000 41 0.250 4 1.250 1 -26.745 -25.015 -22.486 -20.821 -19.682 -18.973 -17.992 99999.999 tennantite (Cu)12As4S13 Ssln ID, Coef: 12 0.800 P-T:L-V Wt.(g/mol) = 1479.000 D(g/cc) = 0.000 Ref: SR89c 6 -13.000 2 4.000 25 12.000 16 12.750 6 0.250 4 5.250 1 -332.840 -307.940 -269.630 -242.320 -222.580 -208.950 -201.700 99999.999 tennantite (Cu)12As4S13 Ssln ID, Coef: 12 0.800 P-T:L-V Wt.(g/mol) = 1479.000 D(g/cc) = 0.000 Ref: SR89c 6 -13.000 2 4.000 25 12.000 16 -25.500 31 13.000 4 18.000 1 1430.995 1304.170 1094.365 927.875 790.280 671.820 564.065 99999.999 tetrahedrite (Cu)12Sb4S13 Ssln ID, Coef: 12 0.800 P-T:L-V Wt.(g/mol) = 1666.310 D(g/cc) = 0.000 Ref: SR89c 6 -13.000 2 4.000 24 12.000 16 12.750 6 0.250 4 1.250 1 -335.300 -310.100 -271.050 -243.050 -222.700 -208.500 -200.750 99999.999 tetrahedrite (Cu)12Sb4S13 Ssln ID, Coef: 12 0.800 P-T:L-V Wt.(g/mol) = 1666.310 D(g/cc) = 0.000 Ref: SR89c 6 -13.000 2 4.000 24 12.000 16 -25.500 31 13.000 4 14.000 1 1428.535 1302.010 1092.945 927.145 790.160 672.270 565.015 99999.999 tiemannite HgSe P-T:L-V Wt.(g/mol) = 279.55 D(g/cc) = 8.330 Ref: XI03 3 1.000 20 1.000 43 -1.000 1 -43.250 -40.257 -35.290 -31.680 -28.940 -26.880 -25.430 99999.999 transvaalite Co(OH)2 P-T:L-V Wt.(g/mol) = 92.930 D(g/cc) = 0.000 Ref: BAR77 3 -2.000 1 1.000 28 2.000 2 12.001 10.811 8.962 7.604 6.552 5.661 4.755 3.303 witherite-alt BaCO3 P-T:L-V Wt.(g/mol) = 197.350 D(g/cc) = 4.308 Ref: BU86 3 1.000 22 1.000 5 -1.000 1 1.766 1.564 1.119 0.652 0.147 -0.463 -1.375 -3.436 wolfram FeWO4 P-T:L-V Wt.(g/mol) = 303.690 D(g/cc) = 7.300 Ref: HE90-FTA 2 1.000 11 1.000 44 99999.999 99999.999 -14. -14. -14. -13.8 -13.5 -13.0 Na2U2O7 Na2U2O7 P-T:L-V Wt.(g/mol) = 634.030 D(g/cc) = 0.000 Ref: WO90 4 -6.000 1 2.000 13 2.000 30 3.000 2 24.225 21.800 18.012 15.225 13.114 11.447 10.036 99999.999 Na2UO4 Na2UO4 P-T:L-V Wt.(g/mol) = 348.010 D(g/cc) = 0.000 Ref: WO90 4 -4.000 1 2.000 13 1.000 30 2.000 2 30.357 28.010 24.343 21.656 19.624 18.026 16.679 99999.999 Na3UO4 Na3UO4 P-T:L-V Wt.(g/mol) = 371.000 D(g/cc) = 0.000 Ref: WO90 6 -5.125 1 -0.125 4 1.000 30 2.500 2 3.000 13 0.125 6 58.843 54.580 47.905 43.003 39.288 36.376 33.977 99999.999 Na3UO4 Na3UO4 P-T:L-V Wt.(g/mol) = 371.000 D(g/cc) = 0.000 Ref: WO90 5 -5.000 1 1.000 30 2.500 2 3.000 13 -0.250 31 76.135 70.390 61.277 54.475 49.218 45.011 41.484 99999.999 U3O8-a U3O8 P-T:L-V Wt.(g/mol) = 842.080 D(g/cc) = 0.000 Ref: WO90 5 -6.250 1 0.250 6 3.000 30 3.000 2 -0.250 4 1.870 0.310 -2.156 -4.049 -5.530 -6.719 -7.665 99999.999 U3O8-A U3O8 P-T:L-V Wt.(g/mol) = 842.080 D(g/cc) = 0.000 Ref: WO90 4 -6.000 1 -0.500 31 3.000 30 3.000 2 36.455 31.930 24.589 18.896 14.330 10.551 7.350 99999.999 UO2Cl2 UO2Cl2 P-T:L-V Wt.(g/mol) = 340.930 D(g/cc) = 0.000 Ref: WO90 2 1.000 30 2.000 3 7.992 6.780 4.559 2.534 0.620 -1.306 -3.494 99999.999 UO2F2 UO2F2 P-T:L-V Wt.(g/mol) = 308.020 D(g/cc) = 0.000 Ref: WO90 2 1.000 30 2.000 23 -10.029 -10.350 -11.114 -11.997 -13.002 -14.208 -15.876 99999.999 UO2OH2-B UO2OH2 P-T:L-V Wt.(g/mol) = 304.040 D(g/cc) = 0.000 Ref: WO90 3 -2.000 1 2.000 2 1.000 30 5.770 5.018 3.817 2.920 2.223 1.662 1.193 99999.999 UO2SO4*2.5(H2O) UO2SO4*2.5(H2O) P-T:L-V Wt.(g/mol) = 411.130 D(g/cc) = 0.000 Ref: WO90 3 1.000 30 1.000 4 2.500 2 -1.564 -2.050 -2.877 -3.574 -4.233 -4.984 -6.095 99999.999 UO2SO4*3(H2O) UO2SO4*3(H2O) P-T:L-V Wt.(g/mol) = 420.140 D(g/cc) = 0.000 Ref: WO90 3 1.000 30 1.000 4 3.000 2 -7.526 -7.820 -8.531 -9.343 -10.254 -11.338 -12.832 99999.999 UO2SO4*(H2O) UO2SO4*(H2O) P-T:L-V Wt.(g/mol) = 384.100 D(g/cc) = 0.000 Ref: WO90 3 1.000 30 1.000 4 1.000 2 -5.962 -6.530 -7.650 -8.739 -9.841 -11.058 -12.641 99999.999 UO2SO4 UO2SO4 P-T:L-V Wt.(g/mol) = 366.090 D(g/cc) = 0.000 Ref: WO90 2 1.000 30 1.000 4 -5.004 -5.610 -6.867 -8.141 -9.451 -10.888 -12.693 99999.999 UO3-G UO3 P-T:L-V Wt.(g/mol) = 286.030 D(g/cc) = 0.000 Ref: WO90 3 -2.000 1 1.000 30 1.000 2 7.686 6.600 4.851 3.507 2.443 1.578 0.857 99999.999 U4O9 U4O9 P-T:L-V Wt.(g/mol) = 1096.110 D(g/cc) = 0.000 Ref: WO90 5 -8.750 1 4.000 30 4.000 2 0.750 6 -0.750 4 -15.127 -15.610 -16.265 -16.712 -16.980 -17.100 -17.010 99999.999 U4O9 U4O9 P-T:L-V Wt.(g/mol) = 1096.110 D(g/cc) = 0.000 Ref: WO90 4 -8.000 1 4.000 30 4.000 2 -1.500 31 88.628 79.230 63.970 52.123 42.600 34.710 28.035 99999.999 U-A/2 U-A/2 P-T:L-V Wt.(g/mol) = 119.020 D(g/cc) = 19.100 Ref: WO90 5 -1.375 1 0.375 6 0.500 30 0.500 2 -0.375 4 54.521 50.230 43.420 38.282 34.294 31.143 28.664 99999.999 U-A/2 U-A/2 P-T:L-V Wt.(g/mol) = 119.020 D(g/cc) = 19.100 Ref: WO90 4 -1.000 1 -0.750 31 0.500 30 0.500 2 106.398 97.650 83.537 72.699 64.084 57.048 51.186 99999.999 UCl4 UCl4 P-T:L-V Wt.(g/mol) = 379.840 D(g/cc) = 0.000 Ref: WO90 6 1.000 30 4.000 3 1.750 1 -1.000 2 0.250 6 -0.250 4 15.576 13.760 10.314 7.090 3.965 0.745 -3.007 99999.999 UCl4 UCl4 P-T:L-V Wt.(g/mol) = 379.840 D(g/cc) = 0.000 Ref: WO90 5 1.000 30 4.000 3 2.000 1 -1.000 2 -0.500 31 50.161 45.370 37.059 30.035 23.825 18.015 12.008 99999.999 UF4*2.5(H2O) UF4*2.5(H2O) P-T:L-V Wt.(g/mol) = 359.060 D(g/cc) = 0.000 Ref: WO90 6 1.000 30 4.000 23 1.500 2 1.750 1 0.250 6 -0.250 4 -28.429 -27.630 -26.792 -26.684 -27.163 -28.278 -30.450 99999.999 UF4*2.5(H2O) UF4*2.5(H2O) P-T:L-V Wt.(g/mol) = 359.060 D(g/cc) = 0.000 Ref: WO90 5 1.000 30 4.000 23 1.500 2 2.000 1 -0.500 31 6.156 3.980 -0.047 -3.739 -7.303 -11.008 -15.435 99999.999 UF4 UF4 P-T:L-V Wt.(g/mol) = 314.020 D(g/cc) = 0.000 Ref: WO90 6 1.000 30 4.000 23 1.750 1 -1.000 2 0.250 6 -0.250 4 -24.336 -24.010 -23.957 -24.466 -25.443 -26.964 -29.468 99999.999 UF4 UF4 P-T:L-V Wt.(g/mol) = 314.020 D(g/cc) = 0.000 Ref: WO90 5 1.000 30 4.000 23 2.000 1 -1.000 2 -0.500 31 10.249 7.600 2.788 -1.521 -5.583 -9.694 -14.453 99999.999 (UO2)3(PO4)2 (UO2)3(PO4)2 P-T:L-V Wt.(g/mol) = 1000.030 D(g/cc) = 0.000 Ref: WO90 3 -2.000 1 2.000 27 3.000 30 -26.339 -27.932 -29.711 -31.901 -34.065 99999.999 99999.999 99999.999 UO2(SO4)*3.5(H2O) UO2(SO4)*3.5(H2O) P-T:L-V Wt.(g/mol) = 429.140 D(g/cc) = 0.000 Ref: WO90 3 1.000 30 1.000 4 3.500 2 -1.574 -2.069 -2.503 -2.939 -3.344 99999.999 99999.999 99999.999 U(HPO4)2*4(H2O) U(HPO4)2*4(H2O) P-T:L-V Wt.(g/mol) = 502.050 D(g/cc) = 0.000 Ref: WO90 6 1.000 30 2.000 27 3.000 2 1.750 1 0.250 6 -0.250 4 -27.611 -26.458 -25.566 -24.934 -24.702 99999.999 99999.999 99999.999 U(HPO4)2*4(H2O) U(HPO4)2*4(H2O) P-T:L-V Wt.(g/mol) = 502.050 D(g/cc) = 0.000 Ref: WO90 5 1.000 30 2.000 27 3.000 2 2.000 1 -0.500 31 6.974 5.152 1.179 -1.989 -4.842 99999.999 99999.999 99999.999 UOF2*H2O UOF2*H2O P-T:L-V Wt.(g/mol) = 310.040 D(g/cc) = 0.000 Ref: WO90 6 1.000 30 2.000 23 1.000 2 0.250 6 -0.250 1 -0.250 4 -18.379 -17.609 -16.957 -16.432 -16.176 99999.999 99999.999 99999.999 UOF2*H2O UOF2*H2O P-T:L-V Wt.(g/mol) = 310.040 D(g/cc) = 0.000 Ref: WO90 4 1.000 30 2.000 23 1.000 2 -0.500 31 16.206 14.001 9.788 6.513 3.684 99999.999 99999.999 99999.999 U(SO4)2 U(SO4)2 P-T:L-V Wt.(g/mol) = 430.150 D(g/cc) = 0.000 Ref: WO90 5 1.000 30 1.750 4 1.750 1 -1.000 2 0.250 6 -12.161 -12.703 -13.514 -14.748 -16.208 99999.999 99999.999 99999.999 bassetite Fe(UO2)2(PO4)2 P-T:L-V Wt.(g/mol) = 785.840 D(g/cc) = 0.000 Ref: WO90 4 -2.000 1 2.000 27 1.000 11 2.000 30 -17.658 -19.941 -22.347 -25.137 -27.791 99999.999 99999.999 99999.999 gummite UO3 P-T:L-V Wt.(g/mol) = 286.030 D(g/cc) = 0.000 Ref: WO90 3 -2.000 1 1.000 30 1.000 2 10.403 8.659 7.118 5.654 4.551 99999.999 99999.999 99999.999 ningyoite UCa(PO4)2*4(H2O) P-T:L-V Wt.(g/mol) = 504.080 D(g/cc) = 0.000 Ref: WO90 7 1.000 9 2.000 27 1.000 2 1.000 30 0.250 6 -0.250 1 -0.250 4 -30.262 -29.612 -29.261 -29.255 -29.618 99999.999 99999.999 99999.999 ningyoite UCa(PO4)2*4(H2O) P-T:L-V Wt.(g/mol) = 504.080 D(g/cc) = 0.000 Ref: WO90 5 1.000 9 2.000 27 1.000 2 1.000 30 -0.500 31 4.323 1.998 -2.516 -6.310 -9.758 99999.999 99999.999 99999.999 Przhevalskite Pb(UO2)2(PO4)2 P-T:L-V Wt.(g/mol) = 937.190 D(g/cc) = 0.000 Ref: WO90 4 -2.000 1 2.000 27 1.000 17 2.000 30 -19.921 -21.381 -22.981 -24.911 -26.817 99999.999 99999.999 99999.999 saleeite Mg(UO2)2(PO4)2 P-T:L-V Wt.(g/mol) = 754.310 D(g/cc) = 0.000 Ref: WO90 4 -2.000 1 2.000 27 1.000 10 2.000 30 -19.219 -21.442 -23.785 -26.508 -29.105 99999.999 99999.999 99999.999 schoepite UO2(OH)2*H2O P-T:L-V Wt.(g/mol) = 322.060 D(g/cc) = 0.000 Ref: WO90 3 -2.000 1 3.000 2 1.000 30 5.150 4.530 3.545 2.809 2.238 1.776 1.382 99999.999 torbernite Cu(UO2)2(PO4)2 P-T:L-V Wt.(g/mol) = 793.540 D(g/cc) = 0.000 Ref: WO90 7 -0.875 1 -0.500 2 -0.125 6 2.000 30 2.000 27 0.125 4 1.000 16 -21.700 -23.160 -24.460 -26.340 -28.250 99999.999 99999.999 99999.999 torbernite Cu(UO2)2(PO4)2 P-T:L-V Wt.(g/mol) = 793.540 D(g/cc) = 0.000 Ref: WO90 6 -1.000 1 -0.500 2 0.250 31 2.000 30 2.000 27 1.000 16 -38.992 -38.965 -37.833 -37.812 -38.180 99999.999 99999.999 99999.999 uranocircite Ba(UO2)2(PO4)2 P-T:L-V Wt.(g/mol) = 867.340 D(g/cc) = 0.000 Ref: WO90 4 -2.000 1 2.000 27 1.000 22 2.000 30 -19.717 -21.227 -22.939 -25.060 -27.183 99999.999 99999.999 99999.999 ********************************************************************************************* ******SIDE-LINED DATA************************************************************************ ********************************************************************************************* gibbsite-ShockO7 Al(OH)3 P-T:All Wt.(g/mol) = 78.000 V(cc/mol) = 31.956 D(g/cc) = 2.441 Ref: Shock07 3 1.000 8 3.000 2 -3.000 1 9.279 7.627 6.232 5.047 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.279 7.627 6.232 5.047 4.025 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.279 7.628 6.233 5.047 4.026 3.133 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.280 7.629 6.234 5.048 4.027 3.134 2.341 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.282 7.630 6.235 5.050 4.028 3.136 2.343 1.627 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.285 7.633 6.238 5.052 4.031 3.138 2.345 1.630 0.973 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.289 7.637 6.242 5.056 4.035 3.142 2.350 1.634 0.978 0.365 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.295 7.643 6.247 5.061 4.040 3.148 2.355 1.640 0.985 0.373 -0.214 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.302 7.650 6.255 5.069 4.048 3.155 2.363 1.649 0.995 0.384 -0.200 -0.774 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.313 7.661 6.265 5.079 4.057 3.165 2.374 1.660 1.007 0.399 -0.183 -0.752 -1.312 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.326 7.674 6.278 5.091 4.070 3.178 2.388 1.675 1.024 0.417 -0.160 -0.724 -1.279 -1.787 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.343 7.691 6.294 5.108 4.086 3.195 2.405 1.694 1.044 0.441 -0.132 -0.688 -1.235 -1.761 -2.076 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.356 7.704 6.307 5.120 4.099 3.207 2.418 1.708 1.060 0.458 -0.111 -0.660 -1.200 -1.728 -2.210 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.374 7.722 6.325 5.137 4.116 3.225 2.436 1.728 1.081 0.483 -0.081 -0.622 -1.150 -1.670 -2.222 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.392 7.739 6.342 5.154 4.133 3.242 2.454 1.747 1.103 0.507 -0.052 -0.586 -1.102 -1.609 -2.166 3.550 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.409 7.756 6.359 5.171 4.149 3.259 2.472 1.766 1.123 0.530 -0.025 -0.551 -1.055 -1.547 -2.086 -0.122 1.516 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.426 7.773 6.375 5.187 4.165 3.276 2.489 1.784 1.143 0.553 0.002 -0.517 -1.011 -1.487 -1.999 -1.006 -0.385 0.674 2.208 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.442 7.790 6.391 5.203 4.181 3.292 2.506 1.802 1.163 0.575 0.028 -0.486 -0.970 -1.431 -1.913 -1.404 -1.103 -0.603 0.160 1.188 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.458 7.806 6.407 5.218 4.197 3.307 2.522 1.819 1.182 0.596 0.052 -0.455 -0.931 -1.379 -1.832 -1.627 -1.470 -1.204 -0.794 -0.213 0.532 1.372 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.473 7.821 6.423 5.234 4.212 3.323 2.538 1.836 1.200 0.616 0.076 -0.427 -0.895 -1.331 -1.758 -1.765 -1.689 -1.544 -1.310 -0.969 -0.509 0.059 0.697 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.488 7.837 6.438 5.249 4.227 3.338 2.554 1.853 1.218 0.636 0.099 -0.400 -0.861 -1.287 -1.693 -1.856 -1.830 -1.755 -1.622 -1.417 -1.131 -0.760 -0.311 0.191 0.714 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.502 7.852 6.453 5.263 4.241 3.353 2.569 1.869 1.236 0.656 0.120 -0.374 -0.831 -1.248 -1.637 -1.917 -1.924 -1.896 -1.825 -1.705 -1.526 -1.284 -0.978 -0.615 -0.209 0.219 0.649 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.516 7.866 6.467 5.278 4.256 3.367 2.584 1.885 1.253 0.674 0.142 -0.350 -0.802 -1.214 -1.589 -1.959 -1.989 -1.992 -1.964 -1.899 -1.791 -1.635 -1.429 -1.174 -0.874 -0.540 -0.183 0.184 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.530 7.881 6.482 5.292 4.270 3.381 2.599 1.901 1.269 0.693 0.162 -0.327 -0.776 -1.183 -1.549 -1.986 -2.034 -2.060 -2.062 -2.035 -1.975 -1.879 -1.744 -1.568 -1.352 -1.101 -0.821 -0.519 -0.203 0.120 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 9.544 7.895 6.495 5.306 4.284 3.395 2.613 1.916 1.286 0.711 0.182 -0.305 -0.752 -1.156 -1.517 -2.004 -2.065 -2.108 -2.131 -2.132 -2.107 -2.053 -1.969 -1.851 -1.700 -1.517 -1.304 -1.066 -0.807 -0.533 -0.247 99999.999 99999.999 99999.999 99999.999 99999.999 9.557 7.909 6.509 5.319 4.297 3.409 2.627 1.931 1.302 0.728 0.201 -0.285 -0.729 -1.132 -1.490 -2.014 -2.085 -2.141 -2.181 -2.203 -2.203 -2.181 -2.134 -2.060 -1.958 -1.828 -1.671 -1.488 -1.284 -1.060 -0.820 -0.566 -0.300 99999.999 99999.999 99999.999 9.569 7.922 6.523 5.332 4.310 3.422 2.641 1.945 1.317 0.745 0.219 -0.265 -0.708 -1.110 -1.468 -2.018 -2.098 -2.164 -2.217 -2.254 -2.274 -2.276 -2.257 -2.215 -2.151 -2.063 -1.951 -1.815 -1.658 -1.480 -1.285 -1.073 -0.848 -0.608 99999.999 99999.999 9.582 7.935 6.536 5.346 4.323 3.435 2.655 1.959 1.333 0.761 0.237 -0.246 -0.688 -1.090 -1.449 -2.018 -2.104 -2.179 -2.242 -2.292 -2.327 -2.347 -2.349 -2.333 -2.298 -2.243 -2.166 -2.069 -1.952 -1.815 -1.660 -1.489 -1.302 -1.100 -0.885 -0.656 9.594 7.948 6.549 5.358 4.336 3.448 2.668 1.973 1.348 0.778 0.254 -0.227 -0.669 -1.071 -1.432 -2.015 -2.107 -2.188 -2.259 -2.319 -2.366 -2.400 -2.419 -2.423 -2.411 -2.381 -2.334 -2.268 -2.184 -2.082 -1.963 -1.828 -1.676 -1.510 -1.330 -1.137 9.698 8.064 6.667 5.475 4.453 3.566 2.788 2.099 1.482 0.922 0.411 -0.060 -0.493 -0.893 -1.259 -1.899 -2.013 -2.122 -2.226 -2.325 -2.420 -2.510 -2.595 -2.676 -2.751 -2.822 -2.887 -2.947 -3.002 -3.051 -3.094 -3.131 -3.162 -3.187 -3.206 -3.219 9.778 8.161 6.767 5.576 4.553 3.666 2.891 2.205 1.594 1.042 0.540 0.079 -0.345 -0.737 -1.099 -1.744 -1.861 -1.975 -2.086 -2.193 -2.297 -2.398 -2.496 -2.591 -2.683 -2.773 -2.860 -2.945 -3.027 -3.107 -3.184 -3.260 -3.332 -3.403 -3.472 -3.538 9.840 8.242 6.853 5.663 4.640 3.754 2.980 2.297 1.690 1.144 0.649 0.197 -0.219 -0.603 -0.958 -1.595 -1.712 -1.826 -1.936 -2.044 -2.149 -2.252 -2.352 -2.451 -2.546 -2.640 -2.733 -2.823 -2.912 -2.999 -3.085 -3.169 -3.253 -3.335 -3.416 -3.496 9.887 8.312 6.929 5.741 4.718 3.833 3.059 2.378 1.773 1.232 0.743 0.298 -0.110 -0.487 -0.835 -1.460 -1.575 -1.687 -1.796 -1.903 -2.007 -2.109 -2.209 -2.306 -2.402 -2.496 -2.588 -2.679 -2.768 -2.856 -2.943 -3.029 -3.114 -3.199 -3.282 -3.365 9.923 8.372 6.997 5.811 4.789 3.903 3.130 2.450 1.848 1.310 0.825 0.386 -0.016 -0.386 -0.727 -1.340 -1.453 -1.563 -1.670 -1.774 -1.877 -1.977 -2.075 -2.170 -2.265 -2.357 -2.448 -2.537 -2.625 -2.712 -2.798 -2.883 -2.967 -3.051 -3.134 -3.216 9.950 8.426 7.058 5.874 4.853 3.968 3.195 2.516 1.915 1.380 0.899 0.464 0.067 -0.297 -0.632 -1.233 -1.344 -1.451 -1.556 -1.659 -1.759 -1.857 -1.953 -2.047 -2.139 -2.229 -2.318 -2.406 -2.492 -2.577 -2.661 -2.745 -2.827 -2.908 -2.989 -3.070 9.969 8.473 7.113 5.933 4.912 4.027 3.255 2.577 1.977 1.444 0.965 0.534 0.141 -0.217 -0.548 -1.138 -1.246 -1.352 -1.455 -1.555 -1.653 -1.749 -1.843 -1.935 -2.025 -2.114 -2.201 -2.286 -2.371 -2.454 -2.536 -2.617 -2.697 -2.777 -2.856 -2.934 99999.999 8.517 7.165 5.987 4.968 4.083 3.311 2.633 2.035 1.502 1.026 0.597 0.208 -0.146 -0.472 -1.052 -1.159 -1.262 -1.363 -1.462 -1.558 -1.652 -1.744 -1.834 -1.923 -2.009 -2.094 -2.178 -2.261 -2.342 -2.422 -2.501 -2.580 -2.657 -2.734 -2.811 gibbsite-MA07 Al(OH)3 P-T:All Wt.(g/mol) = 78.000 V(cc/mol) = 32.000 D(g/cc) = 2.438 Ref: MA07 3 1.000 8 3.000 2 -3.000 1 10.136 8.413 6.958 5.721 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.136 8.413 6.958 5.721 4.655 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.137 8.414 6.959 5.721 4.655 3.723 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.138 8.415 6.959 5.722 4.656 3.724 2.896 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.140 8.416 6.961 5.724 4.658 3.726 2.898 2.152 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.142 8.419 6.964 5.726 4.660 3.728 2.901 2.155 1.471 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.146 8.423 6.968 5.730 4.664 3.732 2.905 2.159 1.476 0.838 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.152 8.429 6.973 5.735 4.669 3.738 2.911 2.165 1.483 0.846 0.237 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.160 8.436 6.981 5.743 4.677 3.745 2.919 2.174 1.492 0.857 0.250 -0.344 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.171 8.447 6.991 5.753 4.687 3.755 2.929 2.185 1.505 0.872 0.268 -0.322 -0.900 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.184 8.460 7.004 5.765 4.699 3.768 2.943 2.200 1.521 0.890 0.290 -0.293 -0.867 -1.392 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.201 8.477 7.020 5.782 4.715 3.785 2.960 2.219 1.542 0.914 0.319 -0.257 -0.823 -1.366 -1.697 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.214 8.490 7.033 5.794 4.728 3.797 2.974 2.233 1.557 0.931 0.340 -0.230 -0.788 -1.333 -1.831 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.232 8.508 7.050 5.811 4.745 3.815 2.992 2.253 1.579 0.956 0.370 -0.192 -0.738 -1.275 -1.843 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.250 8.526 7.068 5.828 4.762 3.832 3.010 2.272 1.600 0.980 0.399 -0.155 -0.689 -1.214 -1.786 3.902 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.267 8.543 7.085 5.845 4.779 3.849 3.028 2.291 1.621 1.003 0.426 -0.120 -0.643 -1.152 -1.706 0.230 1.863 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.284 8.560 7.101 5.861 4.795 3.866 3.045 2.309 1.641 1.026 0.453 -0.087 -0.599 -1.092 -1.619 -0.654 -0.038 1.017 2.545 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.300 8.576 7.117 5.877 4.811 3.882 3.062 2.327 1.660 1.048 0.478 -0.055 -0.557 -1.036 -1.533 -1.052 -0.755 -0.261 0.498 1.521 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.316 8.592 7.133 5.893 4.826 3.898 3.078 2.345 1.679 1.069 0.503 -0.025 -0.519 -0.983 -1.452 -1.275 -1.123 -0.862 -0.457 0.120 0.861 1.696 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.331 8.608 7.149 5.908 4.841 3.913 3.094 2.362 1.698 1.089 0.527 0.004 -0.483 -0.935 -1.379 -1.413 -1.342 -1.201 -0.972 -0.636 -0.181 0.383 1.017 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.346 8.623 7.164 5.923 4.856 3.928 3.110 2.378 1.716 1.109 0.549 0.031 -0.449 -0.892 -1.314 -1.504 -1.482 -1.413 -1.284 -1.084 -0.803 -0.435 0.009 0.507 1.026 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.361 8.638 7.179 5.938 4.871 3.943 3.125 2.394 1.733 1.129 0.571 0.056 -0.418 -0.853 -1.257 -1.565 -1.577 -1.553 -1.488 -1.372 -1.198 -0.960 -0.658 -0.299 0.102 0.527 0.953 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.375 8.653 7.193 5.952 4.885 3.957 3.140 2.410 1.751 1.148 0.593 0.081 -0.390 -0.818 -1.209 -1.606 -1.642 -1.650 -1.627 -1.566 -1.462 -1.311 -1.109 -0.858 -0.562 -0.232 0.121 0.484 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.388 8.667 7.208 5.966 4.899 3.972 3.155 2.426 1.767 1.166 0.613 0.103 -0.364 -0.788 -1.169 -1.634 -1.687 -1.718 -1.724 -1.702 -1.646 -1.555 -1.424 -1.252 -1.041 -0.793 -0.517 -0.219 0.093 0.413 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 10.402 8.682 7.222 5.980 4.913 3.986 3.169 2.441 1.784 1.184 0.633 0.125 -0.339 -0.760 -1.137 -1.651 -1.717 -1.766 -1.794 -1.799 -1.778 -1.729 -1.649 -1.536 -1.389 -1.209 -1.000 -0.766 -0.510 -0.240 0.043 99999.999 99999.999 99999.999 99999.999 99999.999 10.415 8.695 7.235 5.994 4.927 3.999 3.183 2.456 1.800 1.201 0.652 0.146 -0.317 -0.736 -1.110 -1.661 -1.738 -1.799 -1.844 -1.870 -1.875 -1.857 -1.814 -1.744 -1.646 -1.520 -1.367 -1.188 -0.987 -0.766 -0.530 -0.280 -0.017 99999.999 99999.999 99999.999 10.428 8.709 7.249 6.007 4.940 4.013 3.197 2.471 1.815 1.218 0.670 0.166 -0.296 -0.715 -1.088 -1.666 -1.750 -1.822 -1.879 -1.921 -1.946 -1.952 -1.937 -1.900 -1.839 -1.755 -1.647 -1.515 -1.361 -1.187 -0.995 -0.787 -0.565 -0.329 99999.999 99999.999 10.440 8.722 7.262 6.020 4.953 4.026 3.211 2.485 1.831 1.235 0.688 0.185 -0.276 -0.695 -1.069 -1.666 -1.757 -1.837 -1.904 -1.959 -1.998 -2.022 -2.029 -2.018 -1.986 -1.935 -1.862 -1.769 -1.655 -1.522 -1.371 -1.203 -1.019 -0.821 -0.608 -0.382 10.452 8.735 7.275 6.033 4.966 4.039 3.224 2.499 1.846 1.251 0.706 0.204 -0.256 -0.676 -1.052 -1.663 -1.759 -1.846 -1.921 -1.985 -2.037 -2.076 -2.099 -2.107 -2.099 -2.073 -2.030 -1.968 -1.887 -1.789 -1.673 -1.541 -1.393 -1.231 -1.054 -0.863 10.557 8.852 7.393 6.150 5.083 4.157 3.345 2.625 1.980 1.396 0.862 0.371 -0.081 -0.497 -0.879 -1.547 -1.665 -1.779 -1.888 -1.992 -2.091 -2.186 -2.275 -2.360 -2.439 -2.514 -2.583 -2.647 -2.705 -2.757 -2.804 -2.844 -2.879 -2.907 -2.930 -2.945 10.638 8.949 7.494 6.251 5.183 4.257 3.447 2.731 2.092 1.516 0.991 0.511 0.068 -0.341 -0.719 -1.391 -1.514 -1.632 -1.748 -1.859 -1.968 -2.073 -2.175 -2.275 -2.371 -2.465 -2.556 -2.644 -2.730 -2.813 -2.894 -2.973 -3.049 -3.123 -3.195 -3.264 10.700 9.030 7.581 6.339 5.271 4.346 3.537 2.823 2.188 1.618 1.101 0.628 0.194 -0.207 -0.578 -1.242 -1.364 -1.483 -1.598 -1.711 -1.820 -1.927 -2.032 -2.134 -2.234 -2.332 -2.428 -2.522 -2.615 -2.705 -2.795 -2.882 -2.969 -3.055 -3.139 -3.222 10.747 9.100 7.657 6.417 5.349 4.424 3.616 2.904 2.272 1.706 1.195 0.729 0.303 -0.090 -0.454 -1.107 -1.227 -1.344 -1.458 -1.569 -1.678 -1.784 -1.888 -1.990 -2.089 -2.187 -2.283 -2.378 -2.471 -2.562 -2.653 -2.742 -2.831 -2.918 -3.005 -3.091 10.783 9.161 7.725 6.487 5.420 4.495 3.688 2.977 2.347 1.784 1.278 0.818 0.397 0.011 -0.346 -0.987 -1.105 -1.219 -1.331 -1.441 -1.547 -1.652 -1.754 -1.854 -1.952 -2.048 -2.143 -2.236 -2.328 -2.418 -2.508 -2.596 -2.684 -2.770 -2.856 -2.942 10.811 9.215 7.786 6.551 5.485 4.560 3.753 3.043 2.415 1.855 1.351 0.896 0.481 0.100 -0.251 -0.880 -0.995 -1.108 -1.218 -1.325 -1.429 -1.532 -1.632 -1.730 -1.826 -1.921 -2.013 -2.105 -2.195 -2.283 -2.371 -2.457 -2.543 -2.628 -2.712 -2.796 10.831 9.263 7.842 6.609 5.544 4.620 3.813 3.104 2.477 1.919 1.418 0.966 0.555 0.179 -0.166 -0.784 -0.898 -1.008 -1.116 -1.221 -1.324 -1.424 -1.522 -1.618 -1.712 -1.805 -1.896 -1.985 -2.073 -2.160 -2.245 -2.330 -2.413 -2.496 -2.578 -2.660 99999.999 9.307 7.894 6.664 5.600 4.676 3.869 3.161 2.535 1.977 1.479 1.030 0.622 0.251 -0.091 -0.699 -0.810 -0.919 -1.024 -1.128 -1.228 -1.327 -1.423 -1.517 -1.610 -1.700 -1.789 -1.877 -1.963 -2.047 -2.131 -2.214 -2.295 -2.376 -2.457 -2.536 __________________________________________________ Silicates side-lined upon switching from component SiO2 to H4SiO4 CR89:Delta G for illite from Chermak & Rimstidt 1989 Am Min v74 pp1023-1031, delta H calculated using entropy of the elements from Helgeson et al 1978 AJS v278A pp1-229 and with Si, Ti from Wagman 1982 NBS tables of chemical thermodynamic properties: selected values for inorganic and C1 and C2 organic substances in SI units. Maier-Kelly coefficients, entropy, and molar volume of illite from Ransom and Helgeson 1994 GCA v58 n21 pp4537-4547. DA92:Eric Daniels, personal communication Univ of Ill. Ph.D. Thesis WB98a:Wilkin R. T. and Barnes H. L. (1998) Solubility of zeolites in aqueous solution: I. Analcime, Na-, and K-clinoptilolite. American Mineralogist 83, 746-761. Log K's regressed from experimental temperatures, and using AlO2- dissociaton constants referenced in therein. Max experimental T:300C, analcite; 265C, K- and Na-clinopt. Densities estimated from EQ3/6 database. WB98b:As in WB98a except Log K's compiled using AlO2- dissociaton constants from SH98. buddingtonite (NH4)AlSi3O8*0.5(H2O) P-T:L-V Wt.(g/mol) = 257.270 D(g/cc) = 0.000 Ref: DA92 5 -4.000 1 1.000 32 1.000 8 3.000 7 2.000 2 1.492 1.073 0.767 0.898 1.278 1.878 2.829 2.163 analcite-alt NaAlSi2O6*(H2O) P-T:L-V Wt.(g/mol) = 220.150 D(g/cc) = 2.260 Ref: WB98b 5 1.000 13 1.000 8 2.000 7 3.000 2 -4.000 1 5.960 5.200 3.429 1.704 0.296 -0.811 -1.946 99999.999 Na-clinoptilolite Na1.1Al1.1(SiO2)4.9(OH)4.4W1.3 P-T:L-V Wt.(g/mol) = 447.630 D(g/cc) = 2.143 Ref: WB98b 5 1.100 13 1.100 8 4.900 7 5.700 2 -4.400 1 -2.624 -2.462 -2.253 -2.767 -3.905 -4.757 -3.633 99999.999 K-clinoptilolite K1.1Al1.1(SiO2)4.9(OH)4.4W0.5 P-T:L-V Wt.(g/mol) = 450.940 D(g/cc) = 2.232 Ref: WB98b 5 1.100 12 1.100 8 4.900 7 4.900 2 -4.400 1 -4.634 -3.769 -3.537 -4.348 -5.284 -5.766 -5.588 99999.999 greenalite Fe3Si2O5(OH)4 P-T:L-V Wt.(g/mol) = 371.740 D(g/cc) = 3.233 Ref: 4 3.000 11 2.000 7 5.000 2 -6.000 1 27.341 24.759 20.916 18.358 16.602 15.242 13.742 10.432 illite K.6Mg.25Al2.3(SiO2)3.5O3(OH)2 P-T:L-V Wt.(g/mol) = 383.900 D(g/cc) = 2.770 Ref: WO90 6 0.600 12 2.300 8 3.500 7 5.000 2 -8.000 1 0.250 10 9.381 7.078 3.410 0.708 -1.433 -3.418 -5.957 -11.668 illite2 K.75Mg.25Al2.25(SiO2)3.5O3(OH)2 P-T:L-V Wt.(g/mol) = 388.420 D(g/cc) = 2.693 Ref: CR89 6 0.750 12 2.250 8 3.500 7 5.000 2 -8.000 1 0.250 10 9.378 7.054 3.889 -0.503 -3.325 -5.807 -8.150 -9.877 illite-NH4 (NH4).7K.18Al2.88(SiO2)3.5... P-T:L-V Wt.(g/mol) = 379.010 D(g/cc) = 0.000 Ref: DA92 6 -9.520 1 0.700 32 2.880 8 3.120 7 5.760 2 0.180 12 10.759 8.014 3.859 0.953 -1.141 -2.644 -3.553 99999.999 Ni-Olivine Ni2SiO4 P-T:L-V Wt.(g/mol) = 209.460 D(g/cc) = 0.000 Ref: WO90 4 -4.000 1 2.000 26 1.000 7 2.000 2 14.338 12.557 9.562 7.182 5.244 3.577 2.011 0.374 phlogopite-F KMg3(Si3Al)O10(F)2 P-T:L-V Wt.(g/mol) = 421.240 D(g/cc) = 0.000 Ref: RHF78 7 1.000 12 3.000 10 1.000 8 3.000 7 4.000 2 -8.000 1 2.000 23 15.954 12.842 6.399 1.387 -2.928 -6.925 -11.012 -15.079 willemite Zn2SiO4 P-T:L-V Wt.(g/mol) = 222.820 D(g/cc) = 0.000 Ref: RHF78 4 -4.000 1 2.000 15 1.000 7 2.000 2 14.091 12.391 9.709 7.737 6.209 4.895 3.466 0.841 coffinite USiO4 P-T:L-V Wt.(g/mol) = 330.110 D(g/cc) = 0.000 Ref: WO90 6 -2.250 1 1.000 30 1.000 7 1.000 2 0.250 6 -0.250 4 -9.082 -8.700 -8.083 -7.619 -7.223 -6.862 -6.497 99999.999 coffinite USiO4 P-T:L-V Wt.(g/mol) = 330.110 D(g/cc) = 0.000 Ref: WO90 5 -2.000 1 1.000 30 1.000 7 1.000 2 -0.500 31 25.503 22.920 18.662 15.326 12.637 10.408 8.518 99999.999 uranophane Ca(UO2)2(SiO2)2(OH)6*2(H2O) P-T:L-V Wt.(g/mol) = 838.380 D(g/cc) = 0.000 Ref: WO90 5 -6.000 1 2.000 30 1.000 9 2.000 7 8.000 2 -33.363 -30.450 -25.603 -21.664 -18.341 -15.514 -13.194 99999.999 __________________________________________________ Replaced with migdisov data monazite-La LaPO4 P-T:All Wt.(g/mol) = 233.876 V(cc/mol) = 46.040 D(g/cc) = 5.080 Ref: Janots07 3 -1.000 1 1.000 27 1.000 51 -15.731 -15.870 -16.165 -16.542 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -15.731 -15.870 -16.164 -16.542 -16.977 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 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99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.553 -19.539 -19.652 -19.839 -20.080 -20.363 -20.686 -21.046 -21.444 -21.880 -22.352 -22.860 -23.404 -23.984 -24.624 -25.591 -25.805 -26.011 -26.207 -26.391 -26.562 -26.721 -26.876 -27.036 -27.216 -27.431 -27.689 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.493 -19.483 -19.599 -19.788 -20.029 -20.312 -20.634 -20.992 -21.386 -21.817 -22.283 -22.781 -23.311 -23.871 -24.475 -25.494 -25.712 -25.926 -26.133 -26.334 -26.525 -26.708 -26.883 -27.056 -27.232 -27.420 -27.628 -27.859 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.433 -19.427 -19.546 -19.737 -19.979 -20.262 -20.582 -20.938 -21.329 -21.755 -22.215 -22.705 -23.224 -23.767 -24.343 -25.395 -25.615 -25.833 -26.047 -26.257 -26.461 -26.659 -26.850 -27.037 -27.221 -27.407 -27.600 -27.801 -28.013 -28.233 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 -19.375 -19.372 -19.494 -19.686 -19.929 -20.212 -20.531 -20.885 -21.273 -21.695 -22.149 -22.632 -23.140 -23.671 -24.225 -25.295 -25.516 -25.736 -25.954 -26.169 -26.381 -26.588 -26.791 -26.989 -27.183 -27.375 -27.566 -27.759 -27.955 -28.152 -28.350 99999.999 99999.999 99999.999 99999.999 99999.999 -19.317 -19.318 -19.442 -19.636 -19.879 -20.163 -20.481 -20.833 -21.218 -21.635 -22.084 -22.560 -23.061 -23.581 -24.119 -25.197 -25.417 -25.637 -25.857 -26.075 -26.291 -26.504 -26.714 -26.920 -27.123 -27.322 -27.518 -27.712 -27.904 -28.093 -28.280 -28.460 -28.632 99999.999 99999.999 99999.999 -19.259 -19.264 -19.390 -19.586 -19.830 -20.114 -20.431 -20.781 -21.163 -21.577 -22.021 -22.491 -22.984 -23.496 -24.023 -25.099 -25.318 -25.538 -25.758 -25.977 -26.195 -26.412 -26.627 -26.839 -27.047 -27.253 -27.454 -27.652 -27.846 -28.036 -28.220 -28.397 -28.565 -28.721 99999.999 99999.999 -19.202 -19.210 -19.339 -19.536 -19.782 -20.065 -20.382 -20.730 -21.110 -21.520 -21.959 -22.424 -22.911 -23.415 -23.934 -25.003 -25.221 -25.439 -25.658 -25.878 -26.097 -26.315 -26.533 -26.748 -26.961 -27.171 -27.378 -27.581 -27.779 -27.972 -28.158 -28.337 -28.507 -28.665 -28.809 -28.937 -19.146 -19.157 -19.288 -19.487 -19.733 -20.017 -20.333 -20.680 -21.056 -21.463 -21.898 -22.358 -22.839 -23.338 -23.850 -24.908 -25.124 -25.341 -25.559 -25.778 -25.997 -26.216 -26.434 -26.652 -26.868 -27.081 -27.292 -27.499 -27.701 -27.898 -28.089 -28.272 -28.447 -28.610 -28.761 -28.897 -18.609 -18.646 -18.799 -19.014 -19.270 -19.556 -19.867 -20.202 -20.558 -20.936 -21.336 -21.755 -22.190 -22.639 -23.100 -24.051 -24.246 -24.442 -24.640 -24.840 -25.041 -25.244 -25.449 -25.655 -25.862 -26.071 -26.281 -26.491 -26.701 -26.912 -27.122 -27.331 -27.538 -27.743 -27.946 -28.146 -18.116 -18.169 -18.340 -18.569 -18.835 -19.125 -19.436 -19.764 -20.107 -20.466 -20.841 -21.230 -21.631 -22.044 -22.466 -23.332 -23.508 -23.686 -23.866 -24.046 -24.228 -24.412 -24.596 -24.783 -24.970 -25.160 -25.350 -25.543 -25.736 -25.931 -26.127 -26.324 -26.522 -26.721 -26.920 -27.120 -17.657 -17.718 -17.904 -18.147 -18.423 -18.719 -19.031 -19.356 -19.691 -20.038 -20.394 -20.761 -21.137 -21.521 -21.913 -22.712 -22.875 -23.038 -23.202 -23.368 -23.534 -23.702 -23.870 -24.040 -24.211 -24.383 -24.557 -24.731 -24.908 -25.085 -25.264 -25.445 -25.627 -25.810 -25.995 -26.181 -17.225 -17.290 -17.489 -17.744 -18.029 -18.332 -18.648 -18.972 -19.303 -19.640 -19.984 -20.334 -20.691 -21.053 -21.420 -22.167 -22.318 -22.470 -22.622 -22.775 -22.929 -23.084 -23.240 -23.396 -23.553 -23.712 -23.871 -24.032 -24.194 -24.357 -24.522 -24.687 -24.854 -25.023 -25.193 -25.364 -16.815 -16.879 -17.089 -17.356 -17.651 -17.962 -18.281 -18.606 -18.935 -19.267 -19.602 -19.940 -20.281 -20.626 -20.974 -21.678 -21.820 -21.962 -22.105 -22.249 -22.392 -22.537 -22.682 -22.828 -22.975 -23.122 -23.270 -23.420 -23.570 -23.721 -23.873 -24.027 -24.181 -24.337 -24.495 -24.653 -16.423 -16.483 -16.703 -16.982 -17.286 -17.604 -17.929 -18.257 -18.585 -18.914 -19.242 -19.571 -19.901 -20.232 -20.565 -21.234 -21.368 -21.503 -21.638 -21.774 -21.909 -22.046 -22.182 -22.320 -22.457 -22.596 -22.735 -22.875 -23.016 -23.157 -23.300 -23.443 -23.588 -23.734 -23.881 -24.029 -16.045 -16.099 -16.329 -16.619 -16.933 -17.259 -17.589 -17.920 -18.249 -18.577 -18.901 -19.224 -19.545 -19.866 -20.186 -20.826 -20.955 -21.083 -21.212 -21.341 -21.470 -21.599 -21.729 -21.859 -21.990 -22.121 -22.252 -22.385 -22.518 -22.652 -22.786 -22.922 -23.058 -23.196 -23.334 -23.474 99999.999 -15.725 -15.965 -16.265 -16.589 -16.923 -17.259 -17.594 -17.926 -18.253 -18.576 -18.894 -19.209 -19.521 -19.831 -20.448 -20.572 -20.695 -20.818 -20.942 -21.065 -21.189 -21.313 -21.438 -21.562 -21.687 -21.813 -21.939 -22.066 -22.193 -22.321 -22.450 -22.580 -22.711 -22.843 -22.975 EuF+ EuF+ P-T:All Charge = 1. Radius(Å) = 2.31 Alk. = 0.000 Ref: Shock07 6 -1.125 1 -0.125 4 1.000 57 0.125 6 0.500 2 1.000 23 13.488 11.571 9.800 8.181 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.488 11.571 9.800 8.181 6.697 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.489 11.571 9.800 8.182 6.697 5.324 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.491 11.573 9.802 8.184 6.699 5.326 4.043 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.494 11.576 9.805 8.186 6.702 5.329 4.046 2.836 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.498 11.580 9.809 8.191 6.706 5.333 4.051 2.841 1.687 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.505 11.587 9.816 8.197 6.713 5.340 4.058 2.849 1.695 0.580 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.515 11.597 9.825 8.206 6.722 5.349 4.068 2.860 1.707 0.594 -0.503 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.529 11.610 9.838 8.219 6.735 5.363 4.082 2.874 1.724 0.613 -0.480 -1.581 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.547 11.628 9.855 8.236 6.752 5.380 4.100 2.894 1.745 0.637 -0.450 -1.542 -2.662 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.570 11.651 9.878 8.258 6.774 5.403 4.124 2.919 1.773 0.669 -0.412 -1.493 -2.598 -3.743 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.600 11.680 9.906 8.286 6.802 5.431 4.154 2.952 1.809 0.710 -0.364 -1.431 -2.516 -3.644 -4.807 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.623 11.702 9.928 8.308 6.824 5.454 4.177 2.976 1.836 0.740 -0.327 -1.385 -2.455 -3.564 -4.783 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.656 11.734 9.959 8.339 6.854 5.485 4.210 3.011 1.874 0.783 -0.276 -1.321 -2.370 -3.451 -4.659 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.687 11.766 9.990 8.369 6.885 5.516 4.242 3.046 1.911 0.825 -0.227 -1.260 -2.289 -3.341 -4.509 -2.575 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.719 11.797 10.020 8.399 6.915 5.546 4.274 3.079 1.948 0.866 -0.179 -1.201 -2.213 -3.237 -4.357 -4.465 -3.889 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.750 11.827 10.050 8.429 6.944 5.576 4.305 3.112 1.984 0.906 -0.133 -1.145 -2.140 -3.139 -4.210 -4.874 -4.824 -4.562 -4.136 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.780 11.858 10.080 8.458 6.973 5.606 4.336 3.145 2.019 0.944 -0.089 -1.091 -2.072 -3.047 -4.072 -5.019 -5.135 -5.152 -5.048 -4.855 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.810 11.887 10.109 8.487 7.002 5.635 4.366 3.177 2.053 0.982 -0.045 -1.039 -2.007 -2.961 -3.946 -5.072 -5.261 -5.395 -5.460 -5.450 -5.388 -5.333 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.839 11.917 10.138 8.515 7.031 5.664 4.396 3.208 2.087 1.019 -0.004 -0.990 -1.946 -2.882 -3.831 -5.083 -5.311 -5.504 -5.653 -5.753 -5.805 -5.822 -5.838 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.868 11.946 10.167 8.543 7.059 5.693 4.425 3.239 2.120 1.056 0.037 -0.943 -1.889 -2.810 -3.728 -5.072 -5.322 -5.548 -5.745 -5.908 -6.035 -6.128 -6.197 -6.261 -6.343 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.897 11.974 10.195 8.571 7.087 5.721 4.454 3.269 2.152 1.091 0.077 -0.897 -1.835 -2.742 -3.636 -5.048 -5.312 -5.559 -5.784 -5.985 -6.160 -6.306 -6.428 -6.532 -6.629 -6.732 -6.852 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.925 12.003 10.223 8.599 7.114 5.748 4.482 3.299 2.184 1.126 0.115 -0.853 -1.784 -2.681 -3.554 -5.016 -5.290 -5.549 -5.793 -6.018 -6.223 -6.407 -6.568 -6.711 -6.838 -6.958 -7.077 -7.201 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.953 12.031 10.250 8.626 7.141 5.776 4.511 3.329 2.216 1.160 0.153 -0.811 -1.736 -2.624 -3.482 -4.979 -5.259 -5.528 -5.783 -6.024 -6.250 -6.458 -6.649 -6.822 -6.979 -7.123 -7.258 -7.388 -7.517 -7.645 99999.999 99999.999 99999.999 99999.999 99999.999 99999.999 13.980 12.058 10.278 8.653 7.168 5.803 4.538 3.358 2.246 1.193 0.189 -0.771 -1.691 -2.572 -3.418 -4.940 -5.223 -5.498 -5.762 -6.014 -6.254 -6.479 -6.690 -6.886 -7.067 -7.234 -7.390 -7.536 -7.674 -7.806 -7.933 99999.999 99999.999 99999.999 99999.999 99999.999 14.007 12.086 10.305 8.679 7.194 5.830 4.566 3.386 2.277 1.226 0.225 -0.732 -1.647 -2.523 -3.362 -4.898 -5.184 -5.463 -5.733 -5.993 -6.242 -6.480 -6.705 -6.918 -7.118 -7.305 -7.479 -7.642 -7.795 -7.939 -8.075 -8.202 -8.319 99999.999 99999.999 99999.999 14.033 12.113 10.331 8.706 7.221 5.856 4.593 3.415 2.307 1.258 0.259 -0.694 -1.606 -2.478 -3.311 -4.854 -5.143 -5.425 -5.698 -5.964 -6.220 -6.467 -6.703 -6.928 -7.142 -7.345 -7.535 -7.715 -7.883 -8.041 -8.189 -8.327 -8.454 -8.570 99999.999 99999.999 14.059 12.140 10.358 8.732 7.247 5.882 4.620 3.443 2.336 1.289 0.294 -0.657 -1.566 -2.435 -3.265 -4.810 -5.101 -5.384 -5.661 -5.930 -6.191 -6.444 -6.688 -6.923 -7.148 -7.362 -7.566 -7.759 -7.942 -8.113 -8.275 -8.425 -8.565 -8.693 -8.809 -8.911 14.085 12.166 10.384 8.758 7.272 5.908 4.646 3.470 2.365 1.320 0.327 -0.621 -1.527 -2.393 -3.221 -4.766 -5.057 -5.342 -5.621 -5.892 -6.157 -6.415 -6.665 -6.907 -7.140 -7.363 -7.578 -7.782 -7.977 -8.161 -8.335 -8.498 -8.651 -8.792 -8.921 -9.038 14.324 12.415 10.632 9.003 7.517 6.153 4.896 3.728 2.635 1.607 0.633 -0.292 -1.175 -2.018 -2.825 -4.339 -4.627 -4.911 -5.191 -5.466 -5.738 -6.006 -6.269 -6.529 -6.785 -7.038 -7.286 -7.531 -7.771 -8.007 -8.239 -8.466 -8.688 -8.905 -9.117 -9.324 14.536 12.642 10.860 9.229 7.741 6.378 5.122 3.960 2.876 1.859 0.900 -0.009 -0.874 -1.698 -2.485 -3.962 -4.243 -4.521 -4.794 -5.063 -5.329 -5.591 -5.850 -6.105 -6.358 -6.607 -6.854 -7.098 -7.339 -7.577 -7.813 -8.047 -8.277 -8.506 -8.731 -8.954 14.725 12.851 11.071 9.439 7.949 6.586 5.332 4.172 3.094 2.085 1.137 0.241 -0.609 -1.417 -2.189 -3.633 -3.908 -4.178 -4.445 -4.708 -4.967 -5.222 -5.474 -5.723 -5.969 -6.212 -6.453 -6.691 -6.926 -7.159 -7.390 -7.619 -7.845 -8.070 -8.293 -8.514 14.896 13.044 11.269 9.637 8.145 6.781 5.527 4.370 3.295 2.293 1.353 0.467 -0.372 -1.168 -1.926 -3.342 -3.612 -3.876 -4.137 -4.394 -4.647 -4.896 -5.142 -5.385 -5.625 -5.862 -6.096 -6.328 -6.557 -6.784 -7.008 -7.231 -7.451 -7.670 -7.887 -8.102 15.053 13.226 11.456 9.824 8.331 6.965 5.712 4.555 3.483 2.485 1.551 0.673 -0.157 -0.942 -1.690 -3.083 -3.347 -3.607 -3.862 -4.114 -4.362 -4.606 -4.847 -5.085 -5.319 -5.551 -5.779 -6.005 -6.229 -6.450 -6.668 -6.885 -7.100 -7.313 -7.524 -7.733 15.199 13.398 11.634 10.002 8.508 7.141 5.887 4.731 3.660 2.665 1.735 0.863 0.041 -0.736 -1.474 -2.848 -3.108 -3.363 -3.615 -3.862 -4.106 -4.346 -4.582 -4.815 -5.045 -5.272 -5.496 -5.717 -5.935 -6.151 -6.365 -6.577 -6.786 -6.994 -7.200 -7.404 15.336 13.563 11.804 10.172 8.677 7.309 6.054 4.898 3.829 2.835 1.909 1.041 0.225 -0.546 -1.277 -2.633 -2.890 -3.142 -3.390 -3.634 -3.873 -4.109 -4.342 -4.571 -4.797 -5.020 -5.240 -5.457 -5.671 -5.883 -6.093 -6.300 -6.506 -6.709 -6.910 -7.110 99999.999 13.720 11.967 10.336 8.840 7.471 6.215 5.058 3.989 2.997 2.073 1.208 0.396 -0.369 -1.093 -2.436 -2.690 -2.939 -3.183 -3.424 -3.661 -3.894 -4.123 -4.349 -4.571 -4.791 -5.007 -5.221 -5.432 -5.641 -5.847 -6.051 -6.252 -6.452 -6.649 -6.845 monazite-Nd NdPO4 P-T:L-V Wt.(g/mol) = 239.213 V(cc/mol) = 43.800 D(g/cc) = 5.461 Ref: Poitr04 3 -1.000 1 1.000 54 1.000 27 -13.698 -14.425 -15.821 -17.182 -18.511 -19.783 -20.939 -21.918 __________________________________________________ Sidelined because references are missing. These all were added in the mid to late 90s. atacamite Cu2Cl(OH)3 P-T:L-V Wt.(g/mol) = 427.040 D(g/cc) = 0.000 Ref: DUB77 5 -2.000 1 1.000 31 4.000 16 2.000 3 4.000 2 -60.330 -54.397 -44.614 -36.909 -30.707 -25.748 -22.126 99999.999 CoHCO3+ P-T:L-V Charge = 1. Radius(Å) = 2.31 Alk. = 1.000 Ref: FC84 2 1.000 28 1.000 5 -2.200 -2.270 -2.470 -2.740 -3.110 -3.650 -4.530 -6.470 NiHCO3+ P-T:L-V Charge = 1. Radius(Å) = 4.83 Alk. = 1.000 Ref: FC84 2 1.000 26 1.000 5 -2.210 -2.290 -2.490 -2.780 -3.160 -3.710 -4.620 -6.590 ***Author maybe Izaat, as in IZ69? CuSO4,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: IZ86 5 1.125 1 -0.125 6 -0.500 2 1.000 16 1.125 4 -3.790 -3.370 -2.790 -2.450 -2.260 -2.200 -2.190 99999.999 CuSO4,aq P-T:L-V Charge = 0. Radius(Å) = 4.00 Alk. = 0.000 Ref: IZ86 5 1.000 1 0.250 31 -0.500 2 1.000 16 1.000 4 -21.082 -19.175 -16.162 -13.922 -12.190 -10.835 -9.697 -8.596 ***"LL" smells like Lawrence Livermore... rutherfordite UO2(CO3) P-T:L-V Wt.(g/mol) = 330.040 D(g/cc) = 0.000 Ref: LL EX 3 -1.000 1 1.000 30 1.000 5 -3.590 -4.130 -4.810 -5.280 -5.670 -6.020 -6.350 99999.999 ***"PS" = Penn State, as for PS85? pyromorphite Pb5(PO4)3Cl P-T:L-V Wt.(g/mol) = 1356.300 D(g/cc) = 0.000 Ref: PS 4 -3.000 1 1.000 3 5.000 17 3.000 27 -47.754 -44.917 -41.019 -38.739 -37.793 -38.347 -41.462 99999.999 wherryite Pb4(CO3)(SO4)2(OH)1.68Cl0.32 P-T:L-V Wt.(g/mol) = 1136.810 D(g/cc) = 0.000 Ref: PS EX 7 -2.430 1 -0.250 6 4.000 17 1.000 5 2.250 4 0.320 3 1.680 2 -12.135 -11.037 -9.662 -9.035 -9.117 -10.149 -13.037 -22.050 wherryite Pb4(CO3)(SO4)2(OH)1.68Cl0.32 P-T:L-V Wt.(g/mol) = 1136.810 D(g/cc) = 0.000 Ref: PS EX 7 -2.680 1 0.500 31 4.000 17 1.000 5 2.000 4 0.320 3 1.680 2 -46.720 -42.647 -36.407 -31.980 -28.977 -27.419 -28.052 99999.999 hemimorphite Zn4Si2O7(OH)2*(H2O) P-T:L-V Wt.(g/mol) = 481.680 D(g/cc) = 0.000 Ref: PS EX 4 -8.000 1 4.000 15 2.000 7 6.000 2 26.696 23.587 18.733 15.225 12.544 10.233 7.639 2.601 ***Possibly Wagman 1982 - The NBS tables of chemical thermodynamic properties: selected values for inorganic and C1 and C2 organic substances in SI units , by Wagman, Donald D. [Washington, DC]: Published by the American Chemical Society and the American Institute of Physics for the National Bureau of Standards, c1982. morenosite NiSO4*7(H2O) P-T:L-V Wt.(g/mol) = 280.860 D(g/cc) = 0.000 Ref: WA82 3 1.000 26 1.000 4 7.000 2 -2.049 -1.914 -1.763 -1.748 -1.883 -2.207 -2.867 -4.199 NiSO4,s NiSO4 P-T:L-V Wt.(g/mol) = 154.720 D(g/cc) = 0.000 Ref: WA82 2 1.000 26 1.000 4 4.694 3.404 1.063 -1.041 -3.014 -4.963 -7.074 -9.717 retgersite NiSO4*6(H2O) P-T:L-V Wt.(g/mol) = 262.840 D(g/cc) = 0.000 Ref: WA82 3 1.000 26 1.000 4 6.000 2 -2.033 -2.008 -2.064 -2.239 -2.548 -3.034 -3.844 -5.316 AgO,s AgO P-T:L-V Wt.(g/mol) = 123.860 D(g/cc) = 0.000 Ref: WAG82 4 -1.000 1 0.250 31 1.000 18 0.500 2 8.964 8.600 8.094 7.772 7.573 7.454 7.368 99999.999 SU96:Source uncertain as of 1996 compilation of soltherm data. apatite-Cl Ca5(PO4)3(Cl) P-T:L-V Wt.(g/mol) = 520.770 D(g/cc) = 3.500 Ref: SU96 4 -3.000 1 5.000 9 3.000 27 1.000 3 -28.947 -28.248 -28.061 -28.954 -30.805 -33.892 -39.399 99999.999 As2O5,s As2O5 P-T:L-V Wt.(g/mol) = 229.790 D(g/cc) = 0.000 Ref: SU96 5 -3.000 2 -0.500 6 2.500 1 2.000 25 0.500 4 20.260 18.510 15.520 12.960 10.720 8.720 6.750 99999.999 As2O5,s As2O5 P-T:L-V Wt.(g/mol) = 229.790 D(g/cc) = 0.000 Ref: SU96 4 2.000 1 -3.000 2 1.000 31 2.000 25 -48.910 -44.710 -37.970 -32.930 -29.000 -25.820 -23.280 99999.999 Sb2O3,s Sb2O3 P-T:L-V Wt.(g/mol) = 291.470 D(g/cc) = 0.000 Ref: SU96 2 -3.000 2 2.000 24 -8.960 -8.080 -6.680 -5.620 -4.780 -4.100 -3.540 99999.999 __________________________________________________ LogK's need to be checked before using - anomalies detected. -large differences between logK's at 200 and 250C: U(HPO4)2,aq P-T:L-V Charge = 0. Radius(Å) = 0.00 Alk. = 0.000 Ref: WO90 6 1.750 1 2.000 27 1.000 30 0.250 6 -1.000 2 -0.250 4 -23.032 -23.217 -22.592 -23.837 -26.433 5.450 6.310 99999.999 U(HPO4)2,aq P-T:L-V Charge = 0. Radius(Å) = 0.00 Alk. = 0.000 Ref: WO90 5 2.000 1 2.000 27 1.000 30 -0.500 31 -1.000 2 11.553 9.039 4.153 -0.892 -6.573 22.720 21.325 99999.999 UO2(H2PO4)2,aq P-T:L-V Charge = 0. Radius(Å) = 0.00 Alk. = 0.000 Ref: WO90 3 2.000 1 2.000 27 1.000 30 -7.344 -7.862 -8.997 -10.093 -11.249 -16.500 -17.840 99999.999